*HEADER    PLANT PROTEIN                           23-JAN-04   1S6D              
*TITLE     STRUCTURE IN SOLUTION OF A METHIONINE-RICH 2S ALBUMIN                 
*TITLE    2 PROTEIN FROM SUNFLOWER SEED                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALBUMIN 8;                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: METHIONINE-RICH 2S PROTEIN, SFA8                            
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HELIANTHUS ANNUUS;                              
*SOURCE   3 ORGANISM_COMMON: COMMON SUNFLOWER                                    
*KEYWDS    ALL HELIX, FOLDED LEAF, RIGHT-HANDED SUPERHELIX, DISULPHIDE           
*KEYWDS   2 RICH                                                                 
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    D.PANTOJA-UCEDA, M.BRUIX, P.R.SHEWRY, J.SANTORO, M.RICO               
*REVDAT   1   29-JUN-04 1S6D    0                                                
  4 ARG+ HN      4 ARG+ HB2     3.16                
  4 ARG+ HN      4 ARG+ HB3     3.16                
  4 ARG+ HN      4 ARG+ QB      2.89                
  4 ARG+ HN      4 ARG+ QG      5.00                
  4 ARG+ HA      5 GLY  HN      3.36                
  4 ARG+ QB      4 ARG+ HE      6.29                
  4 ARG+ QD      5 GLY  QA      7.75                
  6 ARG+ HN      6 ARG+ HB2     3.53                
  6 ARG+ HN      6 ARG+ HB3     3.53                
  6 ARG+ HN      6 ARG+ QB      3.33                
  6 ARG+ HN      6 ARG+ QG      6.88                
  6 ARG+ HA      6 ARG+ QD      6.48                
  6 ARG+ HA      7 THR  HN      2.73                
  6 ARG+ HB2     7 THR  QG2     6.66                
  6 ARG+ HB3     7 THR  QG2     6.66                
  6 ARG+ QB      7 THR  HA      6.29                
  6 ARG+ QB      7 THR  QG2     6.19                
  6 ARG+ QG      7 THR  HN      5.69                
  7 THR  HN      7 THR  HB      3.86                
  7 THR  HN      8 GLU- HN      4.32                
  7 THR  HA      8 GLU- HN      2.93                
  7 THR  HB      8 GLU- HN      3.92                
  7 THR  HB      8 GLU- QB      6.88                
  7 THR  QG2     8 GLU- HN      7.03                
  8 GLU- HN      8 GLU- HB2     3.58                
  8 GLU- HN      8 GLU- HB3     3.58                
  8 GLU- HN      8 GLU- QG      6.71                
  8 GLU- HA      9 SER  HN      3.26                
  8 GLU- HB2     9 SER  HN      3.33                
  8 GLU- HB3     9 SER  HN      3.33                
  8 GLU- QG      9 SER  HN      6.74                
  9 SER  HN      9 SER  HB2     3.33                
  9 SER  HN      9 SER  HB3     3.33                
  9 SER  HN      9 SER  QB      3.10                
  9 SER  HN     10 GLY  HN      4.66                
  9 SER  HA     10 GLY  HN      2.90                
  9 SER  HB2    10 GLY  HN      3.72                
  9 SER  HB3    10 GLY  HN      3.72                
  9 SER  QB     13 GLN  QB      4.45                
 10 GLY  HN     10 GLY  HA1     2.93                
 10 GLY  HN     10 GLY  HA2     2.93                
 10 GLY  HN     13 GLN  HB2     4.68                
 10 GLY  HN     13 GLN  HB3     4.68                
 10 GLY  HN     13 GLN  QB      4.47                
 11 CYSS HN     11 CYSS HA      2.93                
 11 CYSS HN     11 CYSS HB2     3.46                
 11 CYSS HN     11 CYSS HB3     3.46                
 11 CYSS HN     11 CYSS QB      3.13                
 11 CYSS HA     11 CYSS HB2     2.96                
 11 CYSS HA     11 CYSS HB3     2.96                
 11 CYSS HA     13 GLN  HN      4.91                
 11 CYSS HA     14 GLN  HN      3.62                
 11 CYSS HA     14 GLN  HE21    6.00                
 11 CYSS HA     14 GLN  HE22    6.00                
 11 CYSS HA     15 MET  HN      4.38                
 11 CYSS CB     62 CYSS SG      3.10                
 11 CYSS HB2    14 GLN  HE21    6.83                
 11 CYSS HB2    14 GLN  HE22    6.83                
 11 CYSS HB3    14 GLN  HE21    6.83                
 11 CYSS HB3    14 GLN  HE22    6.83                
 11 CYSS QB     14 GLN  QE2     5.57                
 11 CYSS QB     15 MET  QE      5.53                
 11 CYSS QB     62 CYSS HA      6.68                
 11 CYSS SG     62 CYSS CB      3.10                
 11 CYSS SG     62 CYSS SG      2.10                
 12 TYR  HN     12 TYR  HB2     3.13                
 12 TYR  HN     12 TYR  HB3     3.13                
 12 TYR  HN     13 GLN  HN      3.29                
 12 TYR  HN     14 GLN  HE21    6.00                
 12 TYR  HN     14 GLN  HE22    6.00                
 12 TYR  HA     12 TYR  HB2     3.03                
 12 TYR  HA     13 GLN  HN      3.59                
 12 TYR  HA     14 GLN  HN      4.38                
 12 TYR  HA     14 GLN  QE2     5.95                
 12 TYR  HA     15 MET  HN      3.46                
 12 TYR  HA     15 MET  QG      5.69                
 12 TYR  HA     58 LEU  QQD     8.50                
 12 TYR  HB2    13 GLN  HN      3.76                
 12 TYR  HB2    15 MET  QE      7.03                
 12 TYR  HB3    13 GLN  HN      3.29                
 12 TYR  HB3    15 MET  QE      5.58                
 12 TYR  QD     13 GLN  HN      8.14                
 12 TYR  QD     16 GLU- QG      9.02                
 12 TYR  QD     69 MET  HB3     8.14                
 12 TYR  QE     15 MET  QB      9.01                
 12 TYR  QE     15 MET  QG      9.01                
 12 TYR  QE     16 GLU- QG      9.01                
 12 TYR  QE     66 ALA  HA      8.13                
 12 TYR  HD1    13 GLN  HA      8.14                
 12 TYR  HD1    15 MET  QG      8.89                
 12 TYR  HD1    15 MET  QE      8.38                
 12 TYR  HE1    15 MET  QE      9.16                
 12 TYR  HE1    69 MET  HB3     6.58                
 13 GLN  HN     13 GLN  HB2     3.10                
 13 GLN  HN     13 GLN  HB3     3.10                
 13 GLN  HN     13 GLN  QB      2.77                
 13 GLN  HN     13 GLN  HG2     4.88                
 13 GLN  HN     13 GLN  HG3     4.88                
 13 GLN  HN     13 GLN  QG      4.55                
 13 GLN  HN     14 GLN  HN      4.45                
 13 GLN  HA     13 GLN  QG      3.79                
 13 GLN  HA     16 GLU- HN      3.82                
 13 GLN  HB2    14 GLN  HN      4.15                
 13 GLN  HB3    14 GLN  HN      4.15                
 13 GLN  QB     14 GLN  HN      3.64                
 13 GLN  HG2    14 GLN  HN      5.37                
 13 GLN  HG3    14 GLN  HN      5.37                
 13 GLN  QG     14 GLN  HN      5.08                
 14 GLN  HN     14 GLN  QB      3.82                
 14 GLN  HN     14 GLN  QG      4.21                
 14 GLN  HN     15 MET  HN      3.03                
 14 GLN  HA     15 MET  HN      3.29                
 14 GLN  HA     17 GLU- HB2     3.67                
 14 GLN  HA     17 GLU- HB3     3.67                
 14 GLN  HA     17 GLU- QB      3.25                
 14 GLN  HA     58 LEU  QQD     8.00                
 14 GLN  HB2    14 GLN  HE21    7.75                
 14 GLN  HB2    14 GLN  HE22    7.75                
 14 GLN  HB3    14 GLN  HE21    7.75                
 14 GLN  HB3    14 GLN  HE22    7.75                
 14 GLN  QB     58 LEU  QQD     8.45                
 14 GLN  QG     58 LEU  QQD     9.48                
 14 GLN  QE2    15 MET  QB      7.74                
 15 MET  HN     15 MET  HB2     4.00                
 15 MET  HN     15 MET  HB3     4.00                
 15 MET  HN     15 MET  QG      8.14                
 15 MET  HN     18 ALA  HN      4.45                
 15 MET  HN     18 ALA  QB      7.03                
 15 MET  HN     58 LEU  QD1     7.03                
 15 MET  HN     58 LEU  QD2     7.03                
 15 MET  HN     58 LEU  QQD     6.38                
 15 MET  HN     66 ALA  QB      5.86                
 15 MET  HA     18 ALA  HN      4.15                
 15 MET  HA     18 ALA  QB      4.52                
 15 MET  HA     58 LEU  QD1     7.03                
 15 MET  HA     58 LEU  QD2     7.03                
 15 MET  HA     58 LEU  QQD     5.75                
 15 MET  HA     66 ALA  QB      7.20                
 15 MET  HB2    16 GLU- HN      3.40                
 15 MET  HB3    16 GLU- HN      3.40                
 15 MET  QB     16 GLU- HN      3.23                
 15 MET  QB     58 LEU  QQD     6.18                
 15 MET  QB     66 ALA  QB      6.93                
 15 MET  HG2    58 LEU  QD1     8.41                
 15 MET  HG2    58 LEU  QD2     8.41                
 15 MET  HG2    66 ALA  QB      5.38                
 15 MET  HG3    58 LEU  QD1     8.41                
 15 MET  HG3    58 LEU  QD2     8.41                
 15 MET  HG3    66 ALA  QB      5.38                
 15 MET  QG     16 GLU- HN      5.69                
 15 MET  QG     58 LEU  QQD     7.33                
 15 MET  QG     66 ALA  QB      5.05                
 15 MET  QE     66 ALA  HN      5.05                
 15 MET  QE     66 ALA  HA      3.73                
 15 MET  QE     67 ILE  HA      8.08                
 15 MET  QE     67 ILE  QG2     7.21                
 15 MET  QE     69 MET  HB2     4.42                
 15 MET  QE     70 MET  HN      4.16                
 15 MET  QE     70 MET  HA      4.39                
 16 GLU- HN     16 GLU- HA      2.77                
 16 GLU- HN     16 GLU- QG      3.71                
 16 GLU- HN     17 GLU- HN      3.33                
 16 GLU- HN     18 ALA  HN      4.58                
 16 GLU- HA     16 GLU- QG      3.47                
 16 GLU- HA     17 GLU- HN      3.49                
 16 GLU- HA     19 GLU- QB      4.14                
 16 GLU- QG     17 GLU- HN      3.88                
 17 GLU- HN     17 GLU- HB2     3.08                
 17 GLU- HN     17 GLU- HB3     3.08                
 17 GLU- HN     17 GLU- QB      2.84                
 17 GLU- HN     18 ALA  HN      3.10                
 17 GLU- HN     18 ALA  QB      6.43                
 17 GLU- HA     17 GLU- HG2     3.67                
 17 GLU- HA     17 GLU- HG3     3.67                
 17 GLU- HA     17 GLU- QG      3.44                
 17 GLU- HA     18 ALA  QB      6.04                
 17 GLU- QB     18 ALA  HN      4.17                
 17 GLU- QB     18 ALA  QB      7.05                
 18 ALA  HN     19 GLU- HN      3.84                
 18 ALA  HN     20 MET  HN      4.70                
 18 ALA  HN     58 LEU  HG      6.00                
 18 ALA  HN     58 LEU  QQD     8.60                
 18 ALA  HA     19 GLU- HN      3.46                
 18 ALA  HA     20 MET  HN      5.02                
 18 ALA  QB     20 MET  HN      6.43                
 18 ALA  QB     54 GLN  HN      7.03                
 18 ALA  QB     54 GLN  QG      6.98                
 18 ALA  QB     57 ASN  HB2     5.61                
 18 ALA  QB     57 ASN  HB3     5.61                
 18 ALA  QB     57 ASN  QB      5.09                
 18 ALA  QB     57 ASN  QD2     7.90                
 18 ALA  QB     58 LEU  HA      6.57                
 18 ALA  QB     58 LEU  QD1     6.21                
 18 ALA  QB     58 LEU  QD2     6.21                
 18 ALA  QB     58 LEU  QQD     5.74                
 19 GLU- HN     19 GLU- HA      2.70                
 19 GLU- HN     19 GLU- QB      3.86                
 19 GLU- HN     19 GLU- HG2     5.01                
 19 GLU- HN     19 GLU- HG3     5.01                
 19 GLU- HN     19 GLU- QG      4.46                
 19 GLU- HN     20 MET  HN      4.43                
 19 GLU- HA     19 GLU- HG2     3.59                
 19 GLU- HA     19 GLU- HG3     3.59                
 19 GLU- HA     19 GLU- QG      3.33                
 19 GLU- HA     22 ASN  QB      4.70                
 19 GLU- HA     23 HIS  HD2     5.57                
 19 GLU- HB2    20 MET  HN      5.73                
 19 GLU- HB3    20 MET  HN      5.73                
 19 GLU- QB     22 ASN  QD2     7.74                
 19 GLU- QG     22 ASN  QD2     7.74                
 20 MET  HN     20 MET  QB      3.47                
 20 MET  HN     20 MET  QG      5.59                
 20 MET  HN     21 LEU  HN      3.95                
 20 MET  HN     21 LEU  QQD     8.60                
 20 MET  QB     21 LEU  HN      4.27                
 20 MET  QG     21 LEU  HN      6.88                
 20 MET  QG     55 LEU  HA      5.06                
 20 MET  QG     58 LEU  HG      5.75                
 20 MET  QG     71 LEU  QQD     9.47                
 21 LEU  HN     21 LEU  HA      2.90                
 21 LEU  HN     21 LEU  HB2     3.95                
 21 LEU  HN     21 LEU  HB3     3.95                
 21 LEU  HN     21 LEU  QB      3.34                
 21 LEU  HN     21 LEU  HG      4.09                
 21 LEU  HN     21 LEU  QD1     7.03                
 21 LEU  HN     21 LEU  QD2     7.03                
 21 LEU  HN     21 LEU  QQD     5.83                
 21 LEU  HN     22 ASN  HN      3.29                
 21 LEU  HN     22 ASN  QB      6.32                
 21 LEU  HA     21 LEU  QD1     4.42                
 21 LEU  HA     21 LEU  QD2     4.42                
 21 LEU  HA     21 LEU  QQD     3.89                
 21 LEU  HA     22 ASN  HN      3.06                
 21 LEU  HA     23 HIS  HN      6.00                
 21 LEU  HB2    24 CYSS HB2     6.98                
 21 LEU  HB2    24 CYSS HB3     6.98                
 21 LEU  HB3    24 CYSS HB2     6.98                
 21 LEU  HB3    24 CYSS HB3     6.98                
 21 LEU  QB     22 ASN  HN      4.43                
 21 LEU  QB     22 ASN  QD2     7.74                
 21 LEU  QB     24 CYSS HN      9.21                
 21 LEU  QB     24 CYSS QB      6.26                
 21 LEU  QB     70 MET  QE      5.56                
 21 LEU  HG     67 ILE  QD1     5.15                
 21 LEU  HG     70 MET  QG      5.07                
 21 LEU  QD1    22 ASN  HN      7.03                
 21 LEU  QD1    24 CYSS HB2     8.58                
 21 LEU  QD1    24 CYSS HB3     8.58                
 21 LEU  QD1    71 LEU  QD1    11.20                
 21 LEU  QD1    71 LEU  QD2    11.20                
 21 LEU  QD2    22 ASN  HN      7.03                
 21 LEU  QD2    24 CYSS HB2     8.58                
 21 LEU  QD2    24 CYSS HB3     8.58                
 21 LEU  QD2    71 LEU  QD1    11.20                
 21 LEU  QD2    71 LEU  QD2    11.20                
 21 LEU  QQD    22 ASN  HN      6.30                
 21 LEU  QQD    24 CYSS QB      6.98                
 21 LEU  QQD    67 ILE  QD1     8.21                
 21 LEU  QQD    70 MET  QG      8.03                
 21 LEU  QQD    71 LEU  QQD     8.78                
 22 ASN  HN     22 ASN  HB2     3.29                
 22 ASN  HN     22 ASN  HB3     3.29                
 22 ASN  HN     22 ASN  QB      2.94                
 22 ASN  HN     23 HIS  HN      4.15                
 22 ASN  HN     23 HIS  HD2     5.27                
 22 ASN  HN     76 TRP  HZ2     5.70                
 22 ASN  HA     76 TRP  HE1     6.00                
 22 ASN  HA     76 TRP  HZ2     5.04                
 22 ASN  QB     76 TRP  HE1     6.88                
 22 ASN  QB     76 TRP  HZ2     5.26                
 22 ASN  QD2    23 HIS  HD2     6.87                
 23 HIS  HN     23 HIS  QB      3.78                
 23 HIS  HN     23 HIS  HD2     5.18                
 23 HIS  HN     24 CYSS HN      3.56                
 23 HIS  HN     47 HIS  HD2     6.00                
 23 HIS  HA     23 HIS  HD2     3.79                
 23 HIS  HB2    24 CYSS HN      5.06                
 23 HIS  HB2    50 LEU  HB2     6.00                
 23 HIS  HB3    24 CYSS HN      5.06                
 23 HIS  HB3    50 LEU  HB2     6.00                
 23 HIS  QB     24 CYSS HN      4.65                
 23 HIS  QB     25 GLY  HN      4.63                
 23 HIS  QB     47 HIS  HD2     6.88                
 23 HIS  QB     50 LEU  HB2     5.66                
 23 HIS  QB     51 CYSS HN      6.32                
 23 HIS  QB     51 CYSS HA      6.88                
 23 HIS  HD2    24 CYSS QB      7.87                
 23 HIS  HD2    50 LEU  HB2     5.34                
 23 HIS  HD2    50 LEU  HB3     6.00                
 23 HIS  HD2    50 LEU  QD1     7.03                
 23 HIS  HD2    50 LEU  QD2     7.03                
 23 HIS  HE1    50 LEU  QD1     7.03                
 23 HIS  HE1    50 LEU  QD2     7.03                
 23 HIS  HE1    50 LEU  QQD     6.13                
 24 CYSS HN     24 CYSS HB2     3.39                
 24 CYSS HN     24 CYSS HB3     3.39                
 24 CYSS HN     25 GLY  HN      3.53                
 24 CYSS HA     27 TYR  HN      3.99                
 24 CYSS HA     27 TYR  HB2     3.72                
 24 CYSS HA     27 TYR  HB3     3.20                
 24 CYSS HA     27 TYR  QD      8.14                
 24 CYSS HA     28 LEU  HN      4.94                
 24 CYSS HA     51 CYSS QB      4.45                
 24 CYSS HA     90 LEU  QD1     6.80                
 24 CYSS CB     51 CYSS SG      3.10                
 24 CYSS HB2    90 LEU  QD1     5.94                
 24 CYSS HB3    90 LEU  QD1     5.94                
 24 CYSS QB     25 GLY  HN      3.98                
 24 CYSS QB     28 LEU  HG      6.88                
 24 CYSS QB     28 LEU  QQD     9.48                
 24 CYSS QB     70 MET  QE      5.99                
 24 CYSS QB     90 LEU  QD1     5.20                
 24 CYSS QB     90 LEU  QD2     6.98                
 24 CYSS SG     51 CYSS CB      3.10                
 24 CYSS SG     51 CYSS SG      2.10                
 25 GLY  HN     26 MET  HN      3.49                
 26 MET  HN     26 MET  QB      3.78                
 26 MET  HN     26 MET  QG      4.37                
 26 MET  HN     27 TYR  HN      3.79                
 26 MET  HN     47 HIS  QB      6.88                
 26 MET  HA     76 TRP  HZ3     5.41                
 27 TYR  HN     27 TYR  HB2     3.36                
 27 TYR  HN     27 TYR  HB3     3.00                
 27 TYR  HN     28 LEU  HN      3.62                
 27 TYR  HA     27 TYR  HB2     3.03                
 27 TYR  HA     47 HIS  HD2     6.00                
 27 TYR  HB2    28 LEU  HN      4.25                
 27 TYR  HB3    28 LEU  HN      3.46                
 27 TYR  QD     47 HIS  QB      9.02                
 27 TYR  QD     48 LYS+ HN      8.14                
 27 TYR  QD     48 LYS+ HA      8.07                
 27 TYR  QD     48 LYS+ QG      9.02                
 27 TYR  QD     48 LYS+ QD      9.02                
 27 TYR  QD     90 LEU  QD1     8.28                
 27 TYR  QD     90 LEU  QD2     6.96                
 27 TYR  QE     28 LEU  QQD    10.17                
 27 TYR  QE     48 LYS+ HN      8.13                
 27 TYR  QE     48 LYS+ HA      7.84                
 27 TYR  QE     48 LYS+ QB      9.01                
 27 TYR  QE     48 LYS+ QG      9.01                
 27 TYR  QE     48 LYS+ QD      8.05                
 27 TYR  HD1    28 LEU  HN      7.74                
 27 TYR  HD1    28 LEU  HA      8.14                
 27 TYR  HD1    28 LEU  HB3     8.14                
 27 TYR  HD1    28 LEU  QD1     9.17                
 27 TYR  HD1    28 LEU  QD2     9.17                
 27 TYR  HD1    28 LEU  QQD     8.48                
 27 TYR  HD1    29 MET  HN      8.14                
 27 TYR  HE1    28 LEU  HG      7.93                
 27 TYR  HE1    90 LEU  QD1     7.41                
 27 TYR  HE1    90 LEU  QD2     6.92                
 28 LEU  HN     28 LEU  HB2     2.77                
 28 LEU  HN     28 LEU  HB3     3.86                
 28 LEU  HN     28 LEU  HG      2.77                
 28 LEU  HN     28 LEU  QD1     6.20                
 28 LEU  HN     28 LEU  QD2     6.20                
 28 LEU  HN     29 MET  HN      4.45                
 28 LEU  HA     28 LEU  HG      3.16                
 28 LEU  HA     28 LEU  QD1     7.03                
 28 LEU  HA     28 LEU  QD2     7.03                
 28 LEU  HA     31 ASN  HN      4.25                
 28 LEU  HA     86 MET  QG      6.88                
 28 LEU  HB2    28 LEU  QD1     3.73                
 28 LEU  HB2    28 LEU  QD2     3.73                
 28 LEU  HB2    29 MET  HN      3.20                
 28 LEU  HB2    87 ALA  QB      6.20                
 28 LEU  HB2    90 LEU  QD1     5.94                
 28 LEU  HB3    28 LEU  QD1     3.73                
 28 LEU  HB3    28 LEU  QD2     3.73                
 28 LEU  HB3    29 MET  HN      4.28                
 28 LEU  HB3    76 TRP  HZ3     6.00                
 28 LEU  HB3    83 VAL  HB      4.85                
 28 LEU  HG     86 MET  HB3     4.12                
 28 LEU  QD1    86 MET  HG2     8.75                
 28 LEU  QD1    86 MET  HG3     8.75                
 28 LEU  QD1    87 ALA  HN      9.00                
 28 LEU  QD1    87 ALA  HA      5.40                
 28 LEU  QD1    87 ALA  QB      6.34                
 28 LEU  QD1    90 LEU  QD1     5.61                
 28 LEU  QD2    86 MET  HG2     8.75                
 28 LEU  QD2    86 MET  HG3     8.75                
 28 LEU  QD2    87 ALA  HN      9.00                
 28 LEU  QD2    87 ALA  HA      5.40                
 28 LEU  QD2    87 ALA  QB      6.34                
 28 LEU  QD2    90 LEU  QD1     5.61                
 28 LEU  QQD    29 MET  HN      8.60                
 28 LEU  QQD    70 MET  QE      6.85                
 28 LEU  QQD    71 LEU  QQD    11.20                
 28 LEU  QQD    76 TRP  HZ2     8.60                
 28 LEU  QQD    83 VAL  HA      8.60                
 28 LEU  QQD    83 VAL  HB      7.01                
 28 LEU  QQD    84 MET  HN      8.60                
 28 LEU  QQD    86 MET  HB2     5.73                
 28 LEU  QQD    86 MET  QG      6.42                
 28 LEU  QQD    87 ALA  HN      7.80                
 28 LEU  QQD    87 ALA  HA      4.72                
 28 LEU  QQD    87 ALA  QB      5.80                
 28 LEU  QQD    89 ASN  HN      8.60                
 28 LEU  QQD    90 LEU  HN      7.24                
 28 LEU  QQD    90 LEU  HB2     6.85                
 28 LEU  QQD    90 LEU  QD1     5.24                
 28 LEU  QQD    90 LEU  QD2     8.14                
 29 MET  HN     29 MET  HB2     3.03                
 29 MET  HN     29 MET  HB3     3.03                
 29 MET  HN     29 MET  QB      2.83                
 29 MET  HN     29 MET  QG      5.86                
 29 MET  HN     31 ASN  HN      4.36                
 29 MET  HA     29 MET  HB2     2.90                
 29 MET  HA     29 MET  HB3     2.90                
 29 MET  HA     29 MET  QB      2.66                
 29 MET  HA     30 LYS+ HN      3.49                
 29 MET  HA     76 TRP  HH2     4.90                
 29 MET  HA     83 VAL  QG2     7.03                
 29 MET  QB     30 LYS+ HN      4.17                
 29 MET  QB     76 TRP  HZ3     4.66                
 29 MET  QG     76 TRP  HZ3     5.12                
 30 LYS+ HN     30 LYS+ QB      3.53                
 30 LYS+ HN     30 LYS+ QG      5.46                
 30 LYS+ HN     30 LYS+ QD      5.85                
 30 LYS+ HN     31 ASN  HN      4.30                
 30 LYS+ HN     32 LEU  HN      3.39                
 30 LYS+ HN     32 LEU  HG      5.31                
 30 LYS+ HN     32 LEU  QD1     7.03                
 30 LYS+ HN     32 LEU  QD2     7.03                
 30 LYS+ HN     32 LEU  QQD     6.77                
 30 LYS+ HA     30 LYS+ QD      6.61                
 30 LYS+ QB     30 LYS+ QE      7.49                
 30 LYS+ QB     31 ASN  HN      4.41                
 30 LYS+ QG     31 ASN  HN      6.12                
 31 ASN  HN     31 ASN  HB2     3.91                
 31 ASN  HN     31 ASN  HB3     3.91                
 31 ASN  HN     31 ASN  QB      3.48                
 31 ASN  HN     31 ASN  QD2     7.35                
 31 ASN  HN     32 LEU  HN      3.95                
 31 ASN  HA     33 GLY  HN      4.09                
 31 ASN  QB     32 LEU  HG      6.39                
 31 ASN  QB     32 LEU  QQD     7.64                
 32 LEU  HN     32 LEU  QB      3.65                
 32 LEU  HN     32 LEU  HG      2.93                
 32 LEU  HN     32 LEU  QD1     4.85                
 32 LEU  HN     32 LEU  QD2     4.85                
 32 LEU  HN     32 LEU  QQD     4.43                
 32 LEU  HA     32 LEU  HG      2.83                
 32 LEU  HA     32 LEU  QD1     4.45                
 32 LEU  HA     32 LEU  QD2     4.45                
 32 LEU  HA     33 GLY  HN      3.43                
 32 LEU  QB     33 GLY  QA      7.76                
 32 LEU  QB     76 TRP  HH2     6.88                
 32 LEU  QB     79 MET  QE      6.32                
 32 LEU  HG     33 GLY  HN      4.64                
 32 LEU  QD1    76 TRP  HZ3     7.03                
 32 LEU  QD1    82 GLN  QB      5.56                
 32 LEU  QD1    83 VAL  HA      7.03                
 32 LEU  QD2    76 TRP  HZ3     7.03                
 32 LEU  QD2    82 GLN  QB      5.56                
 32 LEU  QD2    83 VAL  HA      7.03                
 32 LEU  QQD    76 TRP  HE3     8.43                
 32 LEU  QQD    76 TRP  HZ3     6.79                
 32 LEU  QQD    76 TRP  HH2     8.60                
 32 LEU  QQD    82 GLN  QB      5.13                
 32 LEU  QQD    83 VAL  HA      6.62                
 32 LEU  QQD    86 MET  QG      7.70                
 33 GLY  HN     34 GLU- HN      4.88                
 33 GLY  QA     34 GLU- QB      5.45                
 34 GLU- HN     34 GLU- HB2     3.13                
 34 GLU- HN     34 GLU- HB3     3.13                
 34 GLU- HN     34 GLU- QG      4.90                
 34 GLU- HN     35 ARG+ HN      4.19                
 34 GLU- HA     35 ARG+ HN      3.10                
 35 ARG+ HN     35 ARG+ QB      3.42                
 35 ARG+ HN     35 ARG+ QG      6.88                
 35 ARG+ HN     36 SER  HN      4.71                
 35 ARG+ QB     35 ARG+ HE      6.19                
 36 SER  HN     36 SER  QB      3.84                
 37 GLN  HN     38 VAL  QQG     8.12                
 37 GLN  HA     38 VAL  HN      3.33                
 37 GLN  HA     38 VAL  QQG     8.12                
 38 VAL  HN     39 SER  HN      4.81                
 38 VAL  HA     38 VAL  HB      2.77                
 38 VAL  HA     39 SER  HN      3.16                
 38 VAL  HB     39 SER  QB      6.88                
 38 VAL  QQG    39 SER  HN      7.96                
 39 SER  HN     39 SER  HB2     3.59                
 39 SER  HN     39 SER  HB3     3.59                
 39 SER  HN     39 SER  QB      3.32                
 39 SER  QB     40 PRO  QD      6.56                
 40 PRO  HA     41 ARG+ HN      2.70                
 40 PRO  QD     41 ARG+ HN      5.06                
 41 ARG+ HN     41 ARG+ HA      2.70                
 41 ARG+ HN     41 ARG+ HB2     3.33                
 41 ARG+ HN     41 ARG+ HB3     3.33                
 41 ARG+ HN     41 ARG+ QB      3.06                
 41 ARG+ HN     41 ARG+ QG      5.26                
 41 ARG+ HN     42 MET  HN      3.36                
 41 ARG+ HA     42 MET  QG      4.08                
 41 ARG+ HB2    42 MET  HN      5.87                
 41 ARG+ HB3    42 MET  HN      5.87                
 41 ARG+ QB     41 ARG+ HE      6.88                
 42 MET  HN     42 MET  QB      3.49                
 42 MET  HN     42 MET  HG2     4.85                
 42 MET  HN     42 MET  HG3     4.85                
 42 MET  HN     42 MET  QG      4.65                
 43 ARG+ HB2    43 ARG+ HE      3.49                
 43 ARG+ QG     43 ARG+ HE      3.87                
 45 GLU- HN     45 GLU- QB      3.69                
 45 GLU- HN     45 GLU- QG      5.13                
 45 GLU- QG     46 ASP- HN      5.89                
 46 ASP- HN     46 ASP- HB2     3.49                
 46 ASP- HN     46 ASP- HB3     3.49                
 46 ASP- HA     46 ASP- QB      2.75                
 46 ASP- HA     47 HIS  HN      3.26                
 47 HIS  HN     47 HIS  QB      3.92                
 47 HIS  HA     47 HIS  HD2     6.00                
 47 HIS  HA     50 LEU  QQD     8.60                
 47 HIS  HD2    50 LEU  QQD     8.60                
 48 LYS+ HN     48 LYS+ QB      3.72                
 48 LYS+ HN     49 GLN  HN      4.45                
 48 LYS+ HA     48 LYS+ QD      4.47                
 48 LYS+ HB2    48 LYS+ QE      6.88                
 48 LYS+ HB3    48 LYS+ QE      6.88                
 48 LYS+ QB     48 LYS+ QE      6.19                
 48 LYS+ QB     49 GLN  HN      5.40                
 49 GLN  HN     49 GLN  QB      3.66                
 49 GLN  HN     49 GLN  QG      6.88                
 49 GLN  HN     50 LEU  HN      3.49                
 49 GLN  HA     49 GLN  QG      3.83                
 49 GLN  HA     52 CYSS HN      4.09                
 49 GLN  HA     52 CYSS HB2     3.62                
 49 GLN  HA     52 CYSS HB3     3.62                
 49 GLN  HA     52 CYSS QB      3.22                
 50 LEU  HN     50 LEU  HB2     3.76                
 50 LEU  HN     50 LEU  HB3     3.33                
 50 LEU  HN     50 LEU  HG      3.20                
 50 LEU  HN     50 LEU  QD1     6.96                
 50 LEU  HN     50 LEU  QD2     6.96                
 50 LEU  HN     50 LEU  QQD     6.53                
 50 LEU  HN     51 CYSS HN      4.47                
 50 LEU  HN     52 CYSS HN      4.25                
 50 LEU  HA     50 LEU  HG      2.80                
 50 LEU  HA     50 LEU  QD1     7.03                
 50 LEU  HA     50 LEU  QD2     7.03                
 50 LEU  HA     53 MET  HN      3.53                
 50 LEU  HB2    51 CYSS HN      4.22                
 50 LEU  HB3    51 CYSS HN      4.35                
 50 LEU  QQD    53 MET  QG      9.48                
 51 CYSS HN     51 CYSS HB2     3.62                
 51 CYSS HN     51 CYSS HB3     3.62                
 51 CYSS HN     51 CYSS QB      3.40                
 51 CYSS HN     52 CYSS HN      3.43                
 51 CYSS HN     53 MET  HN      4.32                
 51 CYSS HA     54 GLN  QB      5.13                
 51 CYSS HB2    52 CYSS HN      4.12                
 51 CYSS HB3    52 CYSS HN      4.12                
 51 CYSS QB     52 CYSS HN      3.83                
 52 CYSS HN     52 CYSS HB2     3.89                
 52 CYSS HN     52 CYSS HB3     3.89                
 52 CYSS HN     52 CYSS QB      3.51                
 52 CYSS HN     53 MET  HN      3.43                
 52 CYSS HN     53 MET  QB      5.30                
 52 CYSS HN     54 GLN  HN      5.27                
 52 CYSS HA     55 LEU  HB2     3.99                
 52 CYSS HA     55 LEU  HB3     3.99                
 52 CYSS HA     55 LEU  QB      3.49                
 52 CYSS HA     55 LEU  QQD     8.60                
 52 CYSS HA     94 CYSS HB3     5.70                
 52 CYSS HA     96 LEU  QQD     6.71                
 52 CYSS CB     94 CYSS SG      3.10                
 52 CYSS HB2    53 MET  HN      4.05                
 52 CYSS HB3    53 MET  HN      4.05                
 52 CYSS QB     53 MET  HN      3.84                
 52 CYSS QB     55 LEU  QQD     8.42                
 52 CYSS QB     94 CYSS HB2     6.32                
 52 CYSS SG     94 CYSS CB      3.10                
 52 CYSS SG     94 CYSS SG      2.10                
 53 MET  HN     53 MET  HB2     3.57                
 53 MET  HN     53 MET  HB3     3.57                
 53 MET  HN     53 MET  QB      3.23                
 53 MET  HN     53 MET  HG2     5.61                
 53 MET  HN     53 MET  HG3     5.61                
 53 MET  HN     53 MET  QG      5.23                
 53 MET  HN     54 GLN  HN      3.76                
 53 MET  HA     53 MET  QB      2.76                
 53 MET  HA     53 MET  QG      3.69                
 53 MET  HA     56 LYS+ HN      5.42                
 53 MET  HA     56 LYS+ QB      5.91                
 53 MET  HA     56 LYS+ QD      6.13                
 53 MET  QG     54 GLN  HN      5.10                
 53 MET  QG     54 GLN  HA      5.23                
 53 MET  QE     54 GLN  HN      6.63                
 53 MET  QE     57 ASN  QB      5.40                
 53 MET  QE     57 ASN  QD2     7.90                
 54 GLN  HN     54 GLN  HB2     3.59                
 54 GLN  HN     54 GLN  HB3     3.59                
 54 GLN  HN     54 GLN  QG      5.26                
 54 GLN  HN     55 LEU  HN      3.89                
 54 GLN  HA     54 GLN  QG      3.93                
 54 GLN  HA     56 LYS+ HN      4.35                
 54 GLN  HA     57 ASN  HN      4.19                
 54 GLN  HA     57 ASN  QB      5.40                
 54 GLN  HA     57 ASN  HD21    5.31                
 54 GLN  HA     57 ASN  HD22    5.31                
 54 GLN  HA     57 ASN  QD2     4.98                
 54 GLN  QB     57 ASN  QD2     7.64                
 55 LEU  HN     55 LEU  QB      3.49                
 55 LEU  HN     55 LEU  HG      3.48                
 55 LEU  HN     55 LEU  QD1     4.98                
 55 LEU  HN     55 LEU  QD2     4.98                
 55 LEU  HN     55 LEU  QQD     4.49                
 55 LEU  HN     56 LYS+ HN      3.93                
 55 LEU  HN     57 ASN  HN      4.83                
 55 LEU  HA     55 LEU  HG      4.08                
 55 LEU  HA     55 LEU  QD1     4.98                
 55 LEU  HA     55 LEU  QD2     4.98                
 55 LEU  HA     56 LYS+ HN      3.46                
 55 LEU  HA     58 LEU  HN      3.66                
 55 LEU  HA     58 LEU  QB      5.03                
 55 LEU  HA     58 LEU  QQD     5.33                
 55 LEU  HB2    56 LYS+ HN      3.53                
 55 LEU  HB3    56 LYS+ HN      3.53                
 55 LEU  QB     56 LYS+ HN      3.30                
 55 LEU  QD1    56 LYS+ HN      7.03                
 55 LEU  QD1    63 MET  HG2     8.98                
 55 LEU  QD1    63 MET  HG3     8.98                
 55 LEU  QD2    56 LYS+ HN      7.03                
 55 LEU  QD2    63 MET  HG2     8.98                
 55 LEU  QD2    63 MET  HG3     8.98                
 55 LEU  QQD    56 LYS+ HN      5.76                
 55 LEU  QQD    63 MET  QB      8.59                
 55 LEU  QQD    63 MET  QG      6.83                
 55 LEU  QQD    67 ILE  HA      6.95                
 55 LEU  QQD    67 ILE  QG1     6.34                
 55 LEU  QQD    91 PRO  QD      9.48                
 56 LYS+ HN     56 LYS+ QB      3.42                
 56 LYS+ HN     56 LYS+ QG      5.36                
 56 LYS+ HN     56 LYS+ QD      6.88                
 56 LYS+ HN     57 ASN  HN      3.26                
 56 LYS+ HN     57 ASN  QB      6.72                
 56 LYS+ HA     56 LYS+ QD      6.88                
 56 LYS+ HA     58 LEU  HN      3.92                
 56 LYS+ HA     96 LEU  QQD     5.66                
 56 LYS+ QB     56 LYS+ QE      6.30                
 56 LYS+ QB     57 ASN  HN      4.57                
 56 LYS+ QB     57 ASN  QD2     7.74                
 56 LYS+ QB     96 LEU  QQD     6.14                
 56 LYS+ QG     57 ASN  HN      6.88                
 56 LYS+ QD     96 LEU  QQD     7.16                
 57 ASN  HN     57 ASN  HB2     3.43                
 57 ASN  HN     57 ASN  HB3     3.43                
 57 ASN  HN     57 ASN  QB      3.05                
 57 ASN  HN     58 LEU  HN      3.03                
 57 ASN  HN     58 LEU  HG      5.37                
 57 ASN  HA     57 ASN  HB2     2.96                
 57 ASN  HA     57 ASN  HB3     2.96                
 57 ASN  HA     57 ASN  QB      2.76                
 57 ASN  HA     58 LEU  HN      3.53                
 57 ASN  HA     58 LEU  QQD     8.60                
 57 ASN  HB2    58 LEU  HN      5.41                
 57 ASN  HB3    58 LEU  HN      5.41                
 57 ASN  QB     58 LEU  QQD     9.48                
 58 LEU  HN     58 LEU  HB2     3.39                
 58 LEU  HN     58 LEU  HB3     3.39                
 58 LEU  HN     58 LEU  QB      2.94                
 58 LEU  HN     58 LEU  HG      3.39                
 58 LEU  HN     58 LEU  QD1     7.87                
 58 LEU  HN     58 LEU  QD2     7.87                
 58 LEU  HN     58 LEU  QQD     6.50                
 58 LEU  HN     59 ASP- HN      6.84                
 58 LEU  HA     58 LEU  QD1     6.89                
 58 LEU  HA     58 LEU  QD2     6.89                
 58 LEU  HB2    59 ASP- HN      3.92                
 58 LEU  HB2    63 MET  HG2     6.00                
 58 LEU  HB2    63 MET  HG3     6.00                
 58 LEU  HB3    59 ASP- HN      3.92                
 58 LEU  HB3    63 MET  HG2     6.00                
 58 LEU  HB3    63 MET  HG3     6.00                
 58 LEU  QB     59 ASP- HN      3.53                
 58 LEU  QB     62 CYSS HB2     4.67                
 58 LEU  QB     62 CYSS HB3     5.63                
 58 LEU  QB     63 MET  QG      5.05                
 58 LEU  HG     59 ASP- HN      6.00                
 58 LEU  QD1    59 ASP- HN      7.03                
 58 LEU  QD1    62 CYSS HB2     7.03                
 58 LEU  QD1    62 CYSS HB3     7.03                
 58 LEU  QD1    63 MET  HG2     7.62                
 58 LEU  QD1    63 MET  HG3     7.62                
 58 LEU  QD1    66 ALA  QB      5.71                
 58 LEU  QD2    59 ASP- HN      7.03                
 58 LEU  QD2    62 CYSS HB2     7.03                
 58 LEU  QD2    62 CYSS HB3     7.03                
 58 LEU  QD2    63 MET  HG2     7.62                
 58 LEU  QD2    63 MET  HG3     7.62                
 58 LEU  QD2    66 ALA  QB      5.71                
 58 LEU  QQD    59 ASP- HN      6.47                
 58 LEU  QQD    62 CYSS HB2     6.09                
 58 LEU  QQD    62 CYSS HB3     6.13                
 58 LEU  QQD    63 MET  HA      9.44                
 58 LEU  QQD    63 MET  QG      6.68                
 58 LEU  QQD    66 ALA  QB      5.11                
 59 ASP- HA     60 GLU- HN      2.73                
 59 ASP- HA     61 LYS+ HN      4.32                
 59 ASP- HA     62 CYSS HN      4.32                
 59 ASP- HA     63 MET  QE      6.43                
 59 ASP- QB     61 LYS+ HN      4.76                
 60 GLU- HN     60 GLU- HB2     3.20                
 60 GLU- HN     60 GLU- HB3     3.20                
 60 GLU- HN     60 GLU- QB      2.91                
 60 GLU- HN     60 GLU- HG2     6.00                
 60 GLU- HN     60 GLU- HG3     6.00                
 60 GLU- HN     60 GLU- QG      5.35                
 60 GLU- HN     61 LYS+ HN      3.53                
 60 GLU- HN     61 LYS+ QB      6.88                
 60 GLU- HN     61 LYS+ QG      6.88                
 60 GLU- HN     62 CYSS HN      5.31                
 60 GLU- HN     63 MET  QE      6.57                
 60 GLU- HA     60 GLU- QG      3.74                
 60 GLU- HA     63 MET  HN      3.59                
 60 GLU- HA     63 MET  QG      4.17                
 60 GLU- HB2    61 LYS+ HN      3.79                
 60 GLU- HB3    61 LYS+ HN      3.79                
 60 GLU- QB     61 LYS+ HN      3.60                
 60 GLU- HG2    61 LYS+ HN      6.00                
 60 GLU- HG3    61 LYS+ HN      6.00                
 61 LYS+ HN     61 LYS+ QG      4.90                
 61 LYS+ HN     61 LYS+ QD      6.88                
 61 LYS+ HN     62 CYSS HN      3.16                
 61 LYS+ HN     63 MET  HN      4.71                
 61 LYS+ HA     61 LYS+ QD      6.84                
 61 LYS+ QB     61 LYS+ QE      7.75                
 62 CYSS HN     62 CYSS HB2     2.83                
 62 CYSS HN     62 CYSS HB3     3.59                
 62 CYSS HN     63 MET  HN      2.77                
 62 CYSS HN     63 MET  QG      5.66                
 62 CYSS HN     64 CYSS HN      5.57                
 62 CYSS HA     64 CYSS HN      5.18                
 62 CYSS HA     65 PRO  HG2     6.00                
 62 CYSS HA     65 PRO  HG3     6.00                
 62 CYSS HA     65 PRO  QG      5.40                
 62 CYSS HA     65 PRO  HD2     3.69                
 62 CYSS HA     65 PRO  HD3     5.41                
 62 CYSS HA     66 ALA  HN      4.75                
 62 CYSS HA     66 ALA  QB      7.03                
 62 CYSS HB2    63 MET  HN      4.02                
 62 CYSS HB2    66 ALA  QB      4.55                
 62 CYSS HB3    63 MET  HN      4.42                
 62 CYSS HB3    66 ALA  QB      5.44                
 63 MET  HN     63 MET  HB2     3.78                
 63 MET  HN     63 MET  HB3     3.78                
 63 MET  HN     63 MET  QB      3.33                
 63 MET  HN     63 MET  HG2     4.82                
 63 MET  HN     63 MET  HG3     4.82                
 63 MET  HN     63 MET  QG      4.09                
 63 MET  HN     63 MET  QE      5.01                
 63 MET  HN     64 CYSS HN      5.18                
 63 MET  HN     65 PRO  HD2     4.05                
 63 MET  HA     63 MET  HG2     4.27                
 63 MET  HA     63 MET  HG3     4.27                
 63 MET  HA     63 MET  QG      3.87                
 63 MET  HA     66 ALA  QB      4.68                
 63 MET  HA     67 ILE  HN      4.05                
 63 MET  HB2    64 CYSS HN      4.63                
 63 MET  HB3    64 CYSS HN      4.63                
 63 MET  QG     64 CYSS HN      8.25                
 63 MET  QG     67 ILE  QD1     7.91                
 63 MET  QE     96 LEU  HB2     5.77                
 63 MET  QE     96 LEU  HB3     5.77                
 63 MET  QE     96 LEU  QB      4.94                
 63 MET  QE     96 LEU  QQD     7.18                
 64 CYSS HN     64 CYSS QB      3.91                
 64 CYSS HN     65 PRO  QB      5.78                
 64 CYSS HN     65 PRO  QG      6.88                
 64 CYSS HN     65 PRO  HD2     3.29                
 64 CYSS HN     65 PRO  HD3     3.59                
 64 CYSS HN     66 ALA  HN      4.85                
 64 CYSS HN     66 ALA  QB      7.03                
 64 CYSS HN     67 ILE  QD1     7.03                
 64 CYSS HN     91 PRO  QB      6.88                
 64 CYSS HA     66 ALA  HN      6.00                
 64 CYSS HA     67 ILE  HN      3.99                
 64 CYSS HA     67 ILE  HB      3.36                
 64 CYSS HA     67 ILE  QG2     7.03                
 64 CYSS HA     67 ILE  QD1     4.72                
 64 CYSS CB    101 CYSS SG      3.10                
 64 CYSS HB2    65 PRO  HD2     4.85                
 64 CYSS HB2    65 PRO  HD3     3.33                
 64 CYSS HB3    65 PRO  HD2     4.85                
 64 CYSS HB3    65 PRO  HD3     3.33                
 64 CYSS QB     65 PRO  HD3     2.90                
 64 CYSS SG    101 CYSS CB      3.10                
 64 CYSS SG    101 CYSS SG      2.10                
 65 PRO  HA     68 MET  HN      4.05                
 65 PRO  QB     66 ALA  HN      4.12                
 65 PRO  HG2    66 ALA  HN      4.35                
 65 PRO  HG3    66 ALA  HN      4.35                
 65 PRO  QG     66 ALA  HN      3.82                
 65 PRO  QG     67 ILE  HN      6.88                
 65 PRO  HD2    66 ALA  HN      5.18                
 66 ALA  HN     66 ALA  HA      2.77                
 66 ALA  HN     67 ILE  HN      3.39                
 66 ALA  HN     67 ILE  QG2     7.03                
 66 ALA  HA     69 MET  HN      3.26                
 66 ALA  HA     69 MET  HB2     3.03                
 66 ALA  HA     69 MET  QG      6.52                
 66 ALA  QB     67 ILE  HA      7.77                
 66 ALA  QB     67 ILE  HB      5.88                
 66 ALA  QB     69 MET  HB2     7.03                
 66 ALA  QB     69 MET  QG      6.32                
 66 ALA  QB     70 MET  HN      6.37                
 67 ILE  HN     67 ILE  HB      2.70                
 67 ILE  HN     67 ILE  QG2     4.75                
 67 ILE  HN     67 ILE  QG1     3.58                
 67 ILE  HN     67 ILE  QD1     5.34                
 67 ILE  HN     68 MET  HN      3.99                
 67 ILE  HN     69 MET  HN      4.91                
 67 ILE  HN     70 MET  QE      7.65                
 67 ILE  HN     96 LEU  QB      6.88                
 67 ILE  HA     70 MET  HN      4.25                
 67 ILE  HA     70 MET  HB2     3.89                
 67 ILE  HA     70 MET  HB3     3.89                
 67 ILE  HA     70 MET  QB      3.62                
 67 ILE  HA     70 MET  QE      4.87                
 67 ILE  HA     71 LEU  HN      5.47                
 67 ILE  HB     67 ILE  QD1     3.73                
 67 ILE  HB     68 MET  HN      3.20                
 67 ILE  QG2    68 MET  HN      5.28                
 67 ILE  QG2    68 MET  HA      6.86                
 67 ILE  QG2    70 MET  QB      5.00                
 67 ILE  QG2    70 MET  QE      5.99                
 67 ILE  QG2    71 LEU  HN      7.03                
 67 ILE  QG2    71 LEU  HG      6.27                
 67 ILE  QG2    88 HIS  HA      6.17                
 67 ILE  QG1    68 MET  HN      5.99                
 67 ILE  QG1    96 LEU  QB      5.77                
 67 ILE  QD1    68 MET  HN      6.57                
 67 ILE  QD1    70 MET  QG      6.46                
 67 ILE  QD1    87 ALA  HA      5.97                
 67 ILE  QD1    91 PRO  QB      5.04                
 67 ILE  QD1    91 PRO  HD2     5.18                
 67 ILE  QD1    91 PRO  HD3     5.18                
 67 ILE  QD1    91 PRO  QD      4.69                
 67 ILE  QD1    97 MET  QG      7.02                
 68 MET  HN     68 MET  HG2     4.71                
 68 MET  HN     68 MET  HG3     4.71                
 68 MET  HN     68 MET  QG      4.11                
 68 MET  HN     69 MET  HN      3.10                
 68 MET  HA     71 LEU  HN      3.92                
 68 MET  HA     71 LEU  QB      4.60                
 68 MET  HA     71 LEU  QQD     7.01                
 68 MET  QB     69 MET  HN      4.37                
 69 MET  HN     69 MET  HB2     2.96                
 69 MET  HN     69 MET  HB3     3.33                
 69 MET  HN     69 MET  HG2     3.72                
 69 MET  HN     69 MET  HG3     3.72                
 69 MET  HN     69 MET  QG      3.31                
 69 MET  HA     69 MET  HG2     3.72                
 69 MET  HA     69 MET  HG3     3.72                
 69 MET  HA     69 MET  QG      3.31                
 69 MET  HA     72 ASN  HN      3.66                
 69 MET  HA     72 ASN  HB2     4.38                
 69 MET  HA     72 ASN  HB3     4.52                
 69 MET  HA     72 ASN  HD21    6.00                
 69 MET  HA     72 ASN  HD22    6.00                
 69 MET  HB2    70 MET  HN      3.26                
 69 MET  HB3    69 MET  QG      2.75                
 69 MET  HB3    70 MET  HN      3.77                
 70 MET  HN     70 MET  HB2     3.10                
 70 MET  HN     70 MET  HB3     3.10                
 70 MET  HN     70 MET  QB      2.87                
 70 MET  HN     70 MET  HG2     6.00                
 70 MET  HN     70 MET  HG3     6.00                
 70 MET  HN     70 MET  QE      6.99                
 70 MET  HN     71 LEU  HN      3.56                
 70 MET  HN     72 ASN  HN      5.84                
 70 MET  HA     70 MET  QG      4.00                
 70 MET  HA     73 GLU- HN      6.89                
 70 MET  HA     73 GLU- HG2     7.20                
 70 MET  HA     73 GLU- HG3     7.20                
 70 MET  HA     73 GLU- QG      6.62                
 70 MET  HA     76 TRP  HD1     6.00                
 70 MET  HB2    70 MET  QE      5.28                
 70 MET  HB2    71 LEU  HN      4.19                
 70 MET  HB2    71 LEU  QD1     8.78                
 70 MET  HB2    71 LEU  QD2     8.78                
 70 MET  HB3    70 MET  QE      5.28                
 70 MET  HB3    71 LEU  HN      4.19                
 70 MET  HB3    71 LEU  QD1     8.78                
 70 MET  HB3    71 LEU  QD2     8.78                
 70 MET  QB     70 MET  QE      4.61                
 70 MET  QB     71 LEU  HN      3.68                
 70 MET  QB     71 LEU  HG      4.37                
 70 MET  QB     71 LEU  QQD     7.75                
 70 MET  QB     76 TRP  HE1     6.88                
 70 MET  QG     71 LEU  HA      4.04                
 70 MET  QG     76 TRP  HD1     5.23                
 70 MET  QG     76 TRP  HE1     6.88                
 70 MET  QE     71 LEU  HN      5.97                
 70 MET  QE     71 LEU  QD1     7.73                
 70 MET  QE     71 LEU  QD2     7.73                
 70 MET  QE     71 LEU  QQD     7.16                
 70 MET  QE     76 TRP  HZ2     7.03                
 70 MET  QE     76 TRP  HH2     7.03                
 70 MET  QE     87 ALA  HA      5.08                
 70 MET  QE     90 LEU  QD1     7.69                
 71 LEU  HN     71 LEU  HB2     3.69                
 71 LEU  HN     71 LEU  HB3     3.69                
 71 LEU  HN     71 LEU  QB      3.29                
 71 LEU  HN     71 LEU  HG      3.23                
 71 LEU  HN     71 LEU  QD1     5.97                
 71 LEU  HN     71 LEU  QD2     5.97                
 71 LEU  HN     71 LEU  QQD     5.66                
 71 LEU  HN     72 ASN  HN      3.56                
 71 LEU  HA     71 LEU  QD1     5.31                
 71 LEU  HA     71 LEU  QD2     5.31                
 71 LEU  HA     71 LEU  QQD     4.38                
 71 LEU  HA     73 GLU- HN      3.86                
 71 LEU  HA     76 TRP  HB2     3.72                
 71 LEU  HA     76 TRP  HB3     4.55                
 71 LEU  HA     76 TRP  HD1     4.05                
 71 LEU  HB2    72 ASN  HN      4.98                
 71 LEU  HB3    72 ASN  HN      4.98                
 71 LEU  QB     72 ASN  HN      4.45                
 71 LEU  QB     80 ARG+ QD      7.69                
 71 LEU  QB     83 VAL  QG2     5.40                
 71 LEU  HG     76 TRP  HE1     6.00                
 71 LEU  QD1    80 ARG+ HB2     8.78                
 71 LEU  QD1    80 ARG+ HB3     8.78                
 71 LEU  QD1    80 ARG+ QG      7.90                
 71 LEU  QD1    80 ARG+ QD      7.90                
 71 LEU  QD1    84 MET  HA      7.03                
 71 LEU  QD1    87 ALA  HN      7.03                
 71 LEU  QD2    80 ARG+ HB2     8.78                
 71 LEU  QD2    80 ARG+ HB3     8.78                
 71 LEU  QD2    80 ARG+ QG      7.90                
 71 LEU  QD2    80 ARG+ QD      7.90                
 71 LEU  QD2    84 MET  HA      7.03                
 71 LEU  QD2    87 ALA  HN      7.03                
 71 LEU  QQD    76 TRP  HA      8.60                
 71 LEU  QQD    76 TRP  HB2     8.10                
 71 LEU  QQD    76 TRP  HB3     7.74                
 71 LEU  QQD    76 TRP  HD1     8.60                
 71 LEU  QQD    76 TRP  HZ2     8.60                
 71 LEU  QQD    79 MET  QE      8.80                
 71 LEU  QQD    80 ARG+ QB      7.58                
 71 LEU  QQD    83 VAL  QG1     9.63                
 71 LEU  QQD    84 MET  HN      8.60                
 71 LEU  QQD    84 MET  HA      6.10                
 71 LEU  QQD    84 MET  QG      9.48                
 71 LEU  QQD    84 MET  QE      9.63                
 72 ASN  HN     72 ASN  HB2     2.90                
 72 ASN  HN     72 ASN  HB3     3.69                
 72 ASN  HN     73 GLU- HN      3.03                
 72 ASN  HA     72 ASN  HB3     2.93                
 72 ASN  HA     77 ILE  QG2     7.03                
 72 ASN  HA     77 ILE  QD1     4.95                
 72 ASN  HA     80 ARG+ QD      6.88                
 72 ASN  HA     80 ARG+ HE      6.00                
 72 ASN  HB2    73 GLU- HN      4.94                
 72 ASN  HB3    73 GLU- HN      4.71                
 72 ASN  QD2    73 GLU- HN      6.87                
 72 ASN  QD2    80 ARG+ QD      6.89                
 73 GLU- HN     73 GLU- HB2     3.69                
 73 GLU- HN     73 GLU- HB3     3.69                
 73 GLU- HN     73 GLU- QB      3.27                
 73 GLU- HN     73 GLU- HG2     4.71                
 73 GLU- HN     73 GLU- HG3     4.71                
 73 GLU- HN     73 GLU- QG      3.86                
 73 GLU- HN     75 MET  HN      4.05                
 73 GLU- HN     76 TRP  HB3     6.00                
 73 GLU- HN     76 TRP  HD1     5.27                
 73 GLU- HA     74 PRO  HD2     3.76                
 73 GLU- HA     74 PRO  HD3     3.76                
 73 GLU- HA     74 PRO  QD      3.42                
 75 MET  HN     75 MET  QG      4.98                
 75 MET  HN     76 TRP  HN      3.64                
 75 MET  HB2    76 TRP  HN      5.66                
 75 MET  HB2    76 TRP  HD1     6.00                
 75 MET  HB3    76 TRP  HN      5.66                
 75 MET  HB3    76 TRP  HD1     6.00                
 75 MET  QB     76 TRP  HD1     5.84                
 75 MET  QB     76 TRP  HE3     6.88                
 75 MET  QB     76 TRP  HE1     6.88                
 75 MET  QG     76 TRP  HN      7.24                
 75 MET  QG     76 TRP  HD1     6.88                
 76 TRP  HN     76 TRP  HB2     3.72                
 76 TRP  HN     77 ILE  HN      3.45                
 76 TRP  HN     77 ILE  HA      4.93                
 76 TRP  HN     77 ILE  HB      5.77                
 76 TRP  HN     77 ILE  QG2     7.31                
 76 TRP  HN     77 ILE  QG1     7.24                
 76 TRP  HA     76 TRP  HD1     6.00                
 76 TRP  HA     76 TRP  HE3     3.48                
 76 TRP  HA     76 TRP  HZ3     6.00                
 76 TRP  HA     78 ARG+ HN      6.00                
 76 TRP  HA     79 MET  HN      5.27                
 76 TRP  HA     79 MET  QE      7.03                
 76 TRP  HB2    76 TRP  HD1     3.82                
 76 TRP  HB2    77 ILE  HN      4.76                
 76 TRP  HB3    77 ILE  HN      6.23                
 76 TRP  HB3    79 MET  QE      5.71                
 76 TRP  HE3    79 MET  HN      6.30                
 76 TRP  HE3    79 MET  QB      4.79                
 76 TRP  HE3    79 MET  QE      5.06                
 76 TRP  HE3    80 ARG+ HN      5.70                
 76 TRP  HE3    80 ARG+ HA      4.68                
 76 TRP  HE3    80 ARG+ QB      5.73                
 76 TRP  HE3    80 ARG+ QD      6.12                
 76 TRP  HE3    83 VAL  QG1     6.80                
 76 TRP  HZ3    79 MET  QE      7.03                
 76 TRP  HZ3    80 ARG+ HB2     5.80                
 76 TRP  HZ3    80 ARG+ HB3     5.80                
 76 TRP  HZ3    80 ARG+ QB      5.46                
 76 TRP  HZ3    83 VAL  HN      6.00                
 76 TRP  HZ3    83 VAL  QG1     5.44                
 76 TRP  HZ3    83 VAL  QG2     6.33                
 76 TRP  HZ2    83 VAL  QG1     7.03                
 76 TRP  HZ2    83 VAL  QG2     5.81                
 77 ILE  HN     77 ILE  HB      3.11                
 77 ILE  HN     77 ILE  HG12    5.68                
 77 ILE  HN     77 ILE  HG13    5.68                
 77 ILE  HN     77 ILE  QG1     4.90                
 77 ILE  HN     78 ARG+ HN      3.66                
 77 ILE  HA     77 ILE  HB      2.83                
 77 ILE  HA     77 ILE  QG1     3.54                
 77 ILE  HA     77 ILE  QD1     4.68                
 77 ILE  HA     78 ARG+ QD      6.88                
 77 ILE  HA     80 ARG+ HN      4.42                
 77 ILE  QG2    78 ARG+ HN      4.39                
 77 ILE  QG2    78 ARG+ QG      5.93                
 77 ILE  QG2    78 ARG+ QD      7.90                
 77 ILE  QG2    79 MET  HN      7.03                
 77 ILE  QG2    79 MET  QG      7.08                
 77 ILE  QG2    80 ARG+ HN      7.03                
 77 ILE  QD1    78 ARG+ QD      7.28                
 77 ILE  QD1    79 MET  QG      5.50                
 77 ILE  QD1    79 MET  QE      5.88                
 78 ARG+ HN     78 ARG+ HB2     3.65                
 78 ARG+ HN     78 ARG+ HB3     3.65                
 78 ARG+ HN     78 ARG+ HG2     6.11                
 78 ARG+ HN     78 ARG+ HG3     6.11                
 78 ARG+ HN     78 ARG+ QG      5.74                
 78 ARG+ HN     78 ARG+ QD      9.11                
 78 ARG+ HN     79 MET  HN      3.06                
 78 ARG+ HN     80 ARG+ HN      6.00                
 78 ARG+ HA     78 ARG+ QG      3.64                
 78 ARG+ HA     78 ARG+ QD      5.19                
 78 ARG+ HA     79 MET  HN      3.53                
 78 ARG+ HA     80 ARG+ HN      4.09                
 78 ARG+ HA     81 ASP- HN      6.00                
 78 ARG+ QB     78 ARG+ HE      4.67                
 78 ARG+ QG     79 MET  HN      6.88                
 78 ARG+ QG     79 MET  HA      6.88                
 78 ARG+ QG     79 MET  QG      7.72                
 79 MET  HN     79 MET  HB2     3.49                
 79 MET  HN     79 MET  HB3     3.49                
 79 MET  HN     79 MET  QB      3.25                
 79 MET  HN     79 MET  HG2     4.79                
 79 MET  HN     79 MET  HG3     4.79                
 79 MET  HN     79 MET  QG      4.40                
 79 MET  HN     80 ARG+ HN      2.93                
 79 MET  HA     81 ASP- HN      4.94                
 79 MET  HA     82 GLN  HN      4.71                
 79 MET  HA     82 GLN  QE2     6.87                
 79 MET  QB     79 MET  QE      4.71                
 79 MET  QB     80 ARG+ HN      4.01                
 79 MET  QG     80 ARG+ HN      6.88                
 79 MET  QG     81 ASP- HN      6.88                
 79 MET  QE     80 ARG+ QG      5.96                
 80 ARG+ HN     80 ARG+ HB2     3.47                
 80 ARG+ HN     80 ARG+ HB3     3.47                
 80 ARG+ HN     80 ARG+ QG      7.02                
 80 ARG+ HN     80 ARG+ QD      7.95                
 80 ARG+ HN     81 ASP- HN      3.92                
 80 ARG+ HA     83 VAL  QG1     5.84                
 80 ARG+ HA     83 VAL  QG2     3.76                
 80 ARG+ HA     84 MET  QE      6.63                
 80 ARG+ HB2    81 ASP- HN      4.32                
 80 ARG+ HB3    81 ASP- HN      4.32                
 80 ARG+ QB     80 ARG+ HE      5.08                
 80 ARG+ QB     81 ASP- HN      3.77                
 80 ARG+ QB     83 VAL  QG1     5.20                
 80 ARG+ QB     83 VAL  QG2     5.14                
 80 ARG+ QB     84 MET  HA      5.49                
 80 ARG+ QG     81 ASP- HN      6.22                
 80 ARG+ QG     81 ASP- QB      7.76                
 80 ARG+ QG     83 VAL  QG2     4.87                
 80 ARG+ QG     84 MET  QB      6.40                
 80 ARG+ QD     81 ASP- HN      6.88                
 80 ARG+ QD     83 VAL  QG2     7.90                
 80 ARG+ QD     84 MET  QB      6.40                
 80 ARG+ HE     81 ASP- HN      6.00                
 81 ASP- HN     81 ASP- HA      2.90                
 81 ASP- HN     81 ASP- HB2     3.26                
 81 ASP- HN     81 ASP- HB3     3.26                
 81 ASP- HN     81 ASP- QB      2.86                
 81 ASP- HN     82 GLN  HN      3.55                
 81 ASP- HN     82 GLN  QB      6.14                
 81 ASP- HN     82 GLN  QG      7.98                
 81 ASP- HN     83 VAL  HN      5.41                
 81 ASP- HA     84 MET  HN      5.01                
 81 ASP- HA     84 MET  QB      4.64                
 81 ASP- HB2    82 GLN  HN      3.69                
 81 ASP- HB3    82 GLN  HN      3.69                
 81 ASP- QB     82 GLN  HN      3.34                
 82 GLN  HN     82 GLN  HA      2.80                
 82 GLN  HN     82 GLN  QB      3.61                
 82 GLN  HN     82 GLN  QG      4.83                
 82 GLN  HN     83 VAL  HN      2.93                
 82 GLN  HN     83 VAL  QG1     5.08                
 82 GLN  HN     83 VAL  QG2     6.50                
 82 GLN  HN     84 MET  HN      4.22                
 82 GLN  HA     83 VAL  QG1     7.03                
 82 GLN  HA     84 MET  HN      6.00                
 82 GLN  HA     85 SER  HN      6.00                
 82 GLN  QB     83 VAL  HN      4.37                
 82 GLN  QB     83 VAL  QG1     5.00                
 82 GLN  QG     83 VAL  HN      6.02                
 82 GLN  QE2    83 VAL  QG1     7.90                
 83 VAL  HN     83 VAL  HB      3.59                
 83 VAL  HN     83 VAL  QG1     4.45                
 83 VAL  HN     83 VAL  QG2     4.22                
 83 VAL  HN     84 MET  HN      3.16                
 83 VAL  HA     83 VAL  HB      2.96                
 83 VAL  HA     85 SER  HN      6.00                
 83 VAL  HA     86 MET  HN      4.38                
 83 VAL  HB     87 ALA  QB      6.27                
 83 VAL  QG1    84 MET  HN      6.24                
 83 VAL  QG1    84 MET  QG      7.45                
 83 VAL  QG1    86 MET  QG      7.41                
 83 VAL  QG2    84 MET  HN      5.18                
 83 VAL  QG2    84 MET  QB      5.53                
 83 VAL  QG2    85 SER  HN      7.03                
 83 VAL  QG2    86 MET  QG      6.92                
 83 VAL  QG2    87 ALA  HN      7.03                
 83 VAL  QG2    87 ALA  QB      6.24                
 84 MET  HN     84 MET  HB2     3.49                
 84 MET  HN     84 MET  HB3     3.49                
 84 MET  HN     84 MET  QB      3.33                
 84 MET  HN     84 MET  HG2     4.79                
 84 MET  HN     84 MET  HG3     4.79                
 84 MET  HN     84 MET  QG      4.07                
 84 MET  HN     85 SER  HN      3.82                
 84 MET  HN     85 SER  QB      5.52                
 84 MET  HN     87 ALA  HN      6.00                
 84 MET  HA     84 MET  QG      3.84                
 84 MET  HA     86 MET  HN      4.91                
 84 MET  HA     87 ALA  HN      4.42                
 84 MET  HA     87 ALA  QB      4.68                
 84 MET  HB2    85 SER  HN      3.69                
 84 MET  HB3    85 SER  HN      3.69                
 84 MET  QB     85 SER  HN      3.50                
 85 SER  HN     86 MET  HN      3.26                
 85 SER  HN     86 MET  QG      6.88                
 85 SER  HN     87 ALA  HN      5.31                
 85 SER  HA     87 ALA  HN      5.87                
 85 SER  HA     88 HIS  HB2     6.00                
 85 SER  HA     88 HIS  HB3     6.00                
 85 SER  HA     88 HIS  QB      5.41                
 85 SER  HA     88 HIS  HD2     6.00                
 85 SER  HA     88 HIS  HE1     6.00                
 85 SER  QB     88 HIS  HE1     6.88                
 86 MET  HN     86 MET  HB2     3.63                
 86 MET  HN     86 MET  HB3     3.60                
 86 MET  HN     86 MET  QG      4.51                
 86 MET  HN     87 ALA  HN      3.26                
 86 MET  HN     88 HIS  HN      5.01                
 86 MET  HA     86 MET  HB2     3.00                
 86 MET  HA     89 ASN  HB3     6.00                
 86 MET  HB2    87 ALA  HN      3.66                
 86 MET  HB3    87 ALA  HN      3.92                
 86 MET  QG     87 ALA  HN      6.88                
 87 ALA  HN     88 HIS  HN      3.53                
 87 ALA  HN     89 ASN  HN      5.60                
 87 ALA  HA     89 ASN  HN      4.75                
 87 ALA  HA     90 LEU  HG      4.65                
 87 ALA  HA     90 LEU  QD1     5.86                
 87 ALA  HA     90 LEU  QD2     7.62                
 87 ALA  HA     91 PRO  HD2     6.00                
 87 ALA  HA     91 PRO  HD3     6.00                
 87 ALA  HA     92 ILE  HN      5.74                
 87 ALA  QB     88 HIS  HD2     7.03                
 87 ALA  QB     89 ASN  HN      6.90                
 88 HIS  HN     88 HIS  HB2     3.63                
 88 HIS  HN     88 HIS  HB3     3.63                
 88 HIS  HN     88 HIS  QB      3.39                
 88 HIS  HN     89 ASN  HN      3.83                
 88 HIS  HN     89 ASN  HA      5.76                
 88 HIS  HN     89 ASN  QD2     7.77                
 88 HIS  HN     90 LEU  HN      3.53                
 88 HIS  HN     91 PRO  QG      6.88                
 88 HIS  HA     88 HIS  HD2     5.93                
 88 HIS  HA     89 ASN  HD21    6.00                
 88 HIS  HA     89 ASN  HD22    6.00                
 88 HIS  HB2    89 ASN  HN      4.19                
 88 HIS  HB3    89 ASN  HN      4.19                
 88 HIS  QB     89 ASN  QD2     7.64                
 88 HIS  HE1    89 ASN  HD21    6.00                
 88 HIS  HE1    89 ASN  HD22    6.00                
 89 ASN  HN     89 ASN  HB2     3.00                
 89 ASN  HN     89 ASN  HB3     3.46                
 89 ASN  HN     90 LEU  HN      3.16                
 89 ASN  HN     90 LEU  HB2     4.98                
 89 ASN  HN     90 LEU  HG      6.00                
 89 ASN  HN     90 LEU  QD2     7.03                
 89 ASN  HN     92 ILE  QD1     7.03                
 89 ASN  HA     89 ASN  HB3     3.03                
 89 ASN  HA     91 PRO  HD2     6.00                
 89 ASN  HA     91 PRO  HD3     6.00                
 89 ASN  HA     91 PRO  QD      5.67                
 89 ASN  HA     92 ILE  HN      4.45                
 89 ASN  HA     92 ILE  QG2     6.14                
 89 ASN  HA     92 ILE  QD1     6.14                
 89 ASN  HA     93 GLU- HN      5.80                
 89 ASN  HB2    89 ASN  QD2     3.52                
 89 ASN  HB2    90 LEU  HN      3.29                
 89 ASN  HB3    90 LEU  HN      4.45                
 89 ASN  HB3    92 ILE  HN      6.00                
 89 ASN  HB3    92 ILE  QD1     7.03                
 89 ASN  HB3    93 GLU- HN      6.00                
 89 ASN  HD21   92 ILE  HG12    7.73                
 89 ASN  HD21   92 ILE  HG13    7.73                
 89 ASN  HD22   92 ILE  HG12    7.73                
 89 ASN  HD22   92 ILE  HG13    7.73                
 89 ASN  QD2    92 ILE  QG1     6.73                
 89 ASN  QD2    93 GLU- HN      6.87                
 90 LEU  HN     90 LEU  HB2     2.80                
 90 LEU  HN     90 LEU  HG      2.96                
 90 LEU  HN     90 LEU  QD1     5.18                
 90 LEU  HN     90 LEU  QD2     5.38                
 90 LEU  HN     91 PRO  HD2     3.56                
 90 LEU  HN     91 PRO  HD3     3.56                
 90 LEU  HN     92 ILE  HN      5.87                
 90 LEU  HN     92 ILE  HB      5.47                
 90 LEU  HA     90 LEU  QD1     6.51                
 90 LEU  HA     90 LEU  QD2     5.04                
 90 LEU  HA     92 ILE  HN      5.84                
 90 LEU  HA     93 GLU- QB      3.81                
 90 LEU  HB2    90 LEU  QD1     3.73                
 90 LEU  HB2    90 LEU  QD2     3.73                
 90 LEU  HB2    91 PRO  HD2     3.36                
 90 LEU  HB2    91 PRO  HD3     3.36                
 90 LEU  HB2    91 PRO  QD      3.11                
 90 LEU  HB3    91 PRO  HD2     5.31                
 90 LEU  HB3    91 PRO  HD3     5.31                
 90 LEU  HB3    91 PRO  QD      4.48                
 90 LEU  QD1    91 PRO  QD      7.08                
 90 LEU  QD2    91 PRO  QD      6.03                
 91 PRO  QB     96 LEU  QB      5.94                
 91 PRO  QB     96 LEU  QQD     7.36                
 91 PRO  QB     97 MET  HA      5.73                
 91 PRO  QB     97 MET  QG      4.45                
 91 PRO  QG     92 ILE  HN      5.05                
 91 PRO  HD2    92 ILE  HN      5.14                
 91 PRO  HD3    92 ILE  HN      5.14                
 91 PRO  QD     92 ILE  HN      4.83                
 91 PRO  QD     92 ILE  QG2     8.64                
 91 PRO  QD     92 ILE  QG1     8.38                
 92 ILE  HN     92 ILE  HB      3.03                
 92 ILE  HN     92 ILE  HG12    4.28                
 92 ILE  HN     92 ILE  HG13    4.28                
 92 ILE  HN     92 ILE  QG1     4.02                
 92 ILE  HN     92 ILE  QD1     6.57                
 92 ILE  HN     93 GLU- HN      2.99                
 92 ILE  HN     93 GLU- HA      6.18                
 92 ILE  HN     94 CYSS HN      4.91                
 92 ILE  HA     95 ASN  HN      3.79                
 92 ILE  HA     97 MET  HN      3.53                
 92 ILE  HB     93 GLU- HN      2.70                
 92 ILE  QG2    93 GLU- HN      4.66                
 92 ILE  QG2    93 GLU- HA      6.49                
 92 ILE  QG2    93 GLU- QG      6.18                
 92 ILE  QG1    93 GLU- HN      4.80                
 92 ILE  QG1    97 MET  QB      4.45                
 92 ILE  QG1    97 MET  QG      6.53                
 92 ILE  QG1    98 SER  QB      5.54                
 92 ILE  QG1    99 GLN  HN      6.88                
 92 ILE  QD1    93 GLU- HN      7.03                
 92 ILE  QD1    96 LEU  HN      7.03                
 92 ILE  QD1    98 SER  HA      5.21                
 92 ILE  QD1    99 GLN  HN      6.24                
 92 ILE  QD1    99 GLN  HA      4.82                
 92 ILE  QD1    99 GLN  QG      6.85                
 92 ILE  QD1   100 PRO  QD      5.50                
 93 GLU- HN     93 GLU- QB      3.62                
 93 GLU- HN     93 GLU- HG2     3.26                
 93 GLU- HN     93 GLU- HG3     3.26                
 93 GLU- HN     94 CYSS HN      3.32                
 93 GLU- HA     94 CYSS HN      3.43                
 93 GLU- HB2    94 CYSS HN      4.02                
 93 GLU- HB3    94 CYSS HN      4.02                
 93 GLU- QB     94 CYSS HN      3.57                
 94 CYSS HN     94 CYSS HB2     2.77                
 94 CYSS HN     94 CYSS HB3     3.39                
 94 CYSS HN     95 ASN  HN      3.13                
 94 CYSS HN     96 LEU  HN      3.72                
 94 CYSS HN     96 LEU  HG      4.32                
 94 CYSS HN     96 LEU  QQD     7.57                
 94 CYSS HN     97 MET  QG      7.84                
 94 CYSS HA     94 CYSS HB3     2.90                
 94 CYSS HA     96 LEU  HG      6.00                
 94 CYSS HB2    95 ASN  HN      3.82                
 94 CYSS HB2    96 LEU  HG      3.43                
 94 CYSS HB2    96 LEU  QQD     5.20                
 94 CYSS HB3    95 ASN  HN      4.28                
 94 CYSS HB3    96 LEU  HN      4.22                
 94 CYSS HB3    96 LEU  QB      5.20                
 94 CYSS HB3    96 LEU  HG      3.06                
 94 CYSS HB3    96 LEU  QQD     5.89                
 95 ASN  HN     95 ASN  HA      2.70                
 95 ASN  HN     95 ASN  HB2     3.99                
 95 ASN  HN     95 ASN  HB3     3.99                
 95 ASN  HN     95 ASN  QB      3.58                
 95 ASN  QB     96 LEU  QQD     9.01                
 95 ASN  HD21  100 PRO  HB2     7.73                
 95 ASN  HD21  100 PRO  HB3     7.73                
 95 ASN  HD22  100 PRO  HB2     7.73                
 95 ASN  HD22  100 PRO  HB3     7.73                
 95 ASN  QD2   100 PRO  QB      6.74                
 95 ASN  QD2   100 PRO  QG      7.74                
 96 LEU  HN     96 LEU  QB      3.58                
 96 LEU  HN     96 LEU  HG      3.11                
 96 LEU  HN     96 LEU  QQD     7.12                
 96 LEU  HN     97 MET  HN      3.74                
 96 LEU  HN     97 MET  QG      7.69                
 96 LEU  HB2    97 MET  HN      5.46                
 96 LEU  HB3    97 MET  HN      5.46                
 96 LEU  QB     97 MET  HN      4.74                
 96 LEU  HG     97 MET  HN      6.96                
 96 LEU  QQD    97 MET  HN      8.78                
 97 MET  HN     97 MET  HB2     3.76                
 97 MET  HN     97 MET  HB3     3.76                
 97 MET  HN     97 MET  HG2     5.64                
 97 MET  HN     97 MET  HG3     5.64                
 97 MET  HN     97 MET  QG      5.25                
 97 MET  HN     97 MET  QE      6.83                
 97 MET  HN     98 SER  HN      4.25                
 97 MET  HA     97 MET  HG2     4.27                
 97 MET  HA     97 MET  HG3     4.27                
 97 MET  HA     98 SER  HN      3.10                
 97 MET  HA     99 GLN  HN      4.19                
 97 MET  HA    100 PRO  QB      5.03                
 97 MET  QG     98 SER  HN      4.16                
 98 SER  HN     98 SER  HB2     3.89                
 98 SER  HN     98 SER  HB3     3.89                
 98 SER  HN     98 SER  QB      3.59                
 98 SER  HN     99 GLN  HN      3.54                
 98 SER  HB2    99 GLN  HN      5.31                
 98 SER  HB3    99 GLN  HN      5.31                
 99 GLN  HN     99 GLN  QG      5.18                
 99 GLN  HN    100 PRO  HD2     6.00                
 99 GLN  HN    100 PRO  HD3     6.00                
 99 GLN  HA    100 PRO  HD2     2.90                
 99 GLN  HA    100 PRO  HD3     2.90                
 99 GLN  HB2   100 PRO  HD2     6.00                
 99 GLN  HB2   100 PRO  HD3     6.00                
 99 GLN  HB3   100 PRO  HD2     6.00                
 99 GLN  HB3   100 PRO  HD3     6.00                
 99 GLN  QB    100 PRO  QD      4.72                
 99 GLN  HG2   100 PRO  HD2     7.75                
 99 GLN  HG2   100 PRO  HD3     7.75                
 99 GLN  HG3   100 PRO  HD2     7.75                
 99 GLN  HG3   100 PRO  HD3     7.75                
 99 GLN  QG    100 PRO  QD      6.10                
100 PRO  HB2   101 CYSS HN      3.86                
100 PRO  HB3   101 CYSS HN      3.86                
100 PRO  QB    101 CYSS HN      3.62                
101 CYSS HN    101 CYSS HB2     3.23                
101 CYSS HN    101 CYSS HB3     3.89                
101 CYSS HN    102 GLN  HN      4.55                
101 CYSS HA    102 GLN  HN      2.77                
101 CYSS HB2   102 GLN  HN      4.38                
101 CYSS HB3   102 GLN  HN      3.72                
102 GLN  HN    102 GLN  HB2     3.76                
102 GLN  HN    102 GLN  HB3     3.76                
102 GLN  HN    102 GLN  QB      3.38                
102 GLN  HN    102 GLN  QG      6.18                
102 GLN  HN    103 MET  HN      4.38                
102 GLN  HA    102 GLN  QG      3.58                
102 GLN  HA    103 MET  HN      2.70                
102 GLN  HB2   103 MET  HN      3.23                
102 GLN  HB3   103 MET  HN      3.23                
102 GLN  QB    103 MET  HN      2.97                
102 GLN  QG    103 MET  HN      5.16                

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   PRO   1           HA       PRO   1  -1.446  -7.663  13.049
    2   1HB   PRO   1          1HB       PRO   1   0.149  -5.451  12.922
    3   2HB   PRO   1          2HB       PRO   1  -1.044  -5.748  14.169
    4   1HG   PRO   1          1HG       PRO   1   1.889  -5.903  14.348
    5   2HG   PRO   1          2HG       PRO   1   0.716  -5.780  15.643
    6   1HD   PRO   1          1HD       PRO   1   2.068  -8.120  14.733
    7   2HD   PRO   1          2HD       PRO   1   0.874  -8.002  16.009
    8    H    TYR   2           H        TYR   2   1.885  -8.492  12.569
    9    HA   TYR   2           HA       TYR   2   1.480  -8.574   9.658
   10   1HB   TYR   2          1HB       TYR   2   3.328  -7.240   9.215
   11   2HB   TYR   2          2HB       TYR   2   2.529  -6.402  10.530
   12    HD1  TYR   2           1HD      TYR   2   3.415  -7.150  12.987
   13    HD2  TYR   2           2HD      TYR   2   5.583  -7.405   9.277
   14    HE1  TYR   2           1HE      TYR   2   5.561  -7.275  14.249
   15    HE2  TYR   2           2HE      TYR   2   7.727  -7.592  10.527
   16    HH   TYR   2           HH       TYR   2   8.682  -7.560  12.524
   17    H    GLY   3           H        GLY   3   3.833  -9.333   8.786
   18   1HA   GLY   3          1HA       GLY   3   4.871 -11.458  10.549
   19   2HA   GLY   3          2HA       GLY   3   4.358 -11.858   8.922
   20    H    ARG   4           H        ARG   4   6.713 -12.640   9.036
   21    HA   ARG   4           HA       ARG   4   8.412 -10.432   8.006
   22   1HB   ARG   4          1HB       ARG   4   8.936 -11.436  10.371
   23   2HB   ARG   4          2HB       ARG   4   9.626 -12.746   9.435
   24   1HG   ARG   4          1HG       ARG   4  11.486 -11.429   9.489
   25   2HG   ARG   4          2HG       ARG   4  10.701 -10.640   8.136
   26   1HD   ARG   4          1HD       ARG   4  10.268  -8.762   9.322
   27   2HD   ARG   4          2HD       ARG   4   9.853  -9.657  10.770
   28    HE   ARG   4           HE       ARG   4  12.535  -9.993  10.678
   29   1HH1  ARG   4          1HH2      ARG   4  10.589  -7.105  10.392
   30   2HH1  ARG   4          2HH2      ARG   4  11.838  -6.078  11.058
   31   1HH2  ARG   4          1HH1      ARG   4  14.109  -8.644  11.527
   32   2HH2  ARG   4          2HH1      ARG   4  13.789  -6.930  11.687
   33    H    GLY   5           H        GLY   5   8.717 -10.738   5.909
   34   1HA   GLY   5          1HA       GLY   5   9.682 -13.316   4.956
   35   2HA   GLY   5          2HA       GLY   5   8.096 -12.878   4.355
   36    H    ARG   6           H        ARG   6  11.499 -12.320   4.187
   37    HA   ARG   6           HA       ARG   6  11.189 -10.037   2.360
   38   1HB   ARG   6          1HB       ARG   6  13.446 -11.339   3.783
   39   2HB   ARG   6          2HB       ARG   6  13.800 -10.470   2.303
   40   1HG   ARG   6          1HG       ARG   6  12.353  -8.581   3.371
   41   2HG   ARG   6          2HG       ARG   6  12.672  -9.424   4.873
   42   1HD   ARG   6          1HD       ARG   6  14.939  -8.972   4.803
   43   2HD   ARG   6          2HD       ARG   6  14.956  -8.805   3.059
   44    HE   ARG   6           HE       ARG   6  13.432  -6.692   3.773
   45   1HH1  ARG   6          1HH2      ARG   6  16.513  -7.788   5.019
   46   2HH1  ARG   6          2HH2      ARG   6  17.022  -6.173   5.461
   47   1HH2  ARG   6          1HH1      ARG   6  14.121  -4.640   4.348
   48   2HH2  ARG   6          2HH1      ARG   6  15.693  -4.424   5.088
   49    H    THR   7           H        THR   7  12.224 -10.009   0.283
   50    HA   THR   7           HA       THR   7  13.150 -12.318  -1.046
   51    HB   THR   7           HB       THR   7  10.918 -13.194  -0.830
   52    HG1  THR   7           1HG      THR   7  10.492 -13.408  -3.069
   53   1HG2  THR   7          1HG2      THR   7   9.643 -11.097  -0.539
   54   2HG2  THR   7          2HG2      THR   7   9.958 -10.693  -2.263
   55   3HG2  THR   7          3HG2      THR   7   8.952 -12.124  -1.844
   56    H    GLU   8           H        GLU   8  13.526 -11.969  -3.312
   57    HA   GLU   8           HA       GLU   8  14.323  -9.338  -3.914
   58   1HB   GLU   8          1HB       GLU   8  13.810 -11.565  -5.866
   59   2HB   GLU   8          2HB       GLU   8  14.832 -10.164  -6.118
   60   1HG   GLU   8          1HG       GLU   8  16.535 -11.002  -4.839
   61   2HG   GLU   8          2HG       GLU   8  15.449 -11.864  -3.768
   62    H    SER   9           H        SER   9  13.658  -8.254  -6.032
   63    HA   SER   9           HA       SER   9  11.077  -7.220  -5.725
   64   1HB   SER   9          1HB       SER   9  11.961  -7.046  -8.461
   65   2HB   SER   9          2HB       SER   9  11.737  -5.773  -7.278
   66    HG   SER   9           HG       SER   9  13.913  -5.926  -7.998
   67    H    GLY  10           H        GLY  10   9.088  -7.797  -6.366
   68   1HA   GLY  10          1HA       GLY  10   8.668  -9.577  -8.611
   69   2HA   GLY  10          2HA       GLY  10   8.404 -10.364  -7.068
   70    H    CYS  11           H        CYS  11   6.600  -9.835  -5.827
   71    HA   CYS  11           HA       CYS  11   4.272  -9.071  -7.056
   72   1HB   CYS  11          1HB       CYS  11   4.951  -8.459  -4.217
   73   2HB   CYS  11          2HB       CYS  11   3.351  -8.668  -4.899
   74    H    TYR  12           H        TYR  12   6.390  -6.922  -5.136
   75    HA   TYR  12           HA       TYR  12   5.264  -4.477  -5.409
   76   1HB   TYR  12          1HB       TYR  12   7.336  -4.777  -4.339
   77   2HB   TYR  12          2HB       TYR  12   8.078  -5.394  -5.801
   78    HD1  TYR  12           1HD      TYR  12   9.641  -4.010  -6.767
   79    HD2  TYR  12           2HD      TYR  12   6.181  -2.280  -4.855
   80    HE1  TYR  12           1HE      TYR  12  10.450  -1.725  -7.355
   81    HE2  TYR  12           2HE      TYR  12   7.051  -0.005  -5.343
   82    HH   TYR  12           HH       TYR  12   8.614   1.184  -6.380
   83    H    GLN  13           H        GLN  13   7.420  -5.879  -7.882
   84    HA   GLN  13           HA       GLN  13   7.079  -3.869  -9.811
   85   1HB   GLN  13          1HB       GLN  13   8.808  -5.638  -9.876
   86   2HB   GLN  13          2HB       GLN  13   7.563  -6.809 -10.262
   87   1HG   GLN  13          1HG       GLN  13   7.951  -6.318 -12.415
   88   2HG   GLN  13          2HG       GLN  13   7.132  -4.800 -12.104
   89   1HE2  GLN  13          2HE2      GLN  13   8.915  -4.948 -14.140
   90   2HE2  GLN  13          1HE2      GLN  13  10.405  -4.127 -13.737
   91    H    GLN  14           H        GLN  14   5.161  -6.838  -9.243
   92    HA   GLN  14           HA       GLN  14   3.351  -6.273 -11.402
   93   1HB   GLN  14          1HB       GLN  14   3.258  -8.129  -9.056
   94   2HB   GLN  14          2HB       GLN  14   1.948  -8.010 -10.213
   95   1HG   GLN  14          1HG       GLN  14   3.077  -9.203 -11.758
   96   2HG   GLN  14          2HG       GLN  14   4.537  -8.265 -11.518
   97   1HE2  GLN  14          2HE2      GLN  14   5.120  -8.738  -8.896
   98   2HE2  GLN  14          1HE2      GLN  14   5.482 -10.433  -8.662
   99    H    MET  15           H        MET  15   3.685  -4.919  -8.319
  100    HA   MET  15           HA       MET  15   0.935  -4.320  -7.775
  101   1HB   MET  15          1HB       MET  15   3.262  -4.237  -6.304
  102   2HB   MET  15          2HB       MET  15   2.929  -2.544  -6.612
  103   1HG   MET  15          1HG       MET  15   1.457  -2.636  -4.924
  104   2HG   MET  15          2HG       MET  15   0.458  -3.643  -5.953
  105   1HE   MET  15          1HE       MET  15   3.873  -3.922  -4.105
  106   2HE   MET  15          2HE       MET  15   2.648  -3.308  -2.941
  107   3HE   MET  15          3HE       MET  15   3.376  -4.935  -2.706
  108    H    GLU  16           H        GLU  16   3.765  -2.270  -8.701
  109    HA   GLU  16           HA       GLU  16   2.380   0.079  -9.167
  110   1HB   GLU  16          1HB       GLU  16   4.168   0.364 -11.035
  111   2HB   GLU  16          2HB       GLU  16   4.653   0.294  -9.354
  112   1HG   GLU  16          1HG       GLU  16   5.518  -1.837  -9.553
  113   2HG   GLU  16          2HG       GLU  16   4.553  -2.204 -10.969
  114    H    GLU  17           H        GLU  17   2.725  -2.699 -11.350
  115    HA   GLU  17           HA       GLU  17   1.409  -1.483 -13.572
  116   1HB   GLU  17          1HB       GLU  17   2.884  -3.616 -13.460
  117   2HB   GLU  17          2HB       GLU  17   1.383  -4.430 -13.067
  118   1HG   GLU  17          1HG       GLU  17   0.360  -3.612 -15.119
  119   2HG   GLU  17          2HG       GLU  17   1.796  -2.680 -15.495
  120    H    ALA  18           H        ALA  18   0.273  -3.076 -10.700
  121    HA   ALA  18           HA       ALA  18  -2.498  -2.553 -11.534
  122   1HB   ALA  18          1HB       ALA  18  -2.071  -4.945 -11.759
  123   2HB   ALA  18          2HB       ALA  18  -1.444  -4.996 -10.075
  124   3HB   ALA  18          3HB       ALA  18  -3.179  -4.636 -10.376
  125    H    GLU  19           H        GLU  19  -1.320  -0.572 -10.255
  126    HA   GLU  19           HA       GLU  19  -0.777  -0.482  -7.616
  127   1HB   GLU  19          1HB       GLU  19  -2.142   1.807  -7.825
  128   2HB   GLU  19          2HB       GLU  19  -0.545   1.566  -8.505
  129   1HG   GLU  19          1HG       GLU  19  -1.334   1.423 -10.660
  130   2HG   GLU  19          2HG       GLU  19  -2.923   0.884 -10.156
  131    H    MET  20           H        MET  20  -1.807  -1.818  -6.206
  132    HA   MET  20           HA       MET  20  -4.742  -1.974  -6.332
  133   1HB   MET  20          1HB       MET  20  -4.498  -3.878  -4.845
  134   2HB   MET  20          2HB       MET  20  -3.405  -4.059  -6.202
  135   1HG   MET  20          1HG       MET  20  -1.593  -3.115  -4.768
  136   2HG   MET  20          2HG       MET  20  -2.708  -3.176  -3.418
  137   1HE   MET  20          1HE       MET  20   0.035  -4.505  -3.110
  138   2HE   MET  20          2HE       MET  20  -1.278  -4.638  -1.889
  139   3HE   MET  20          3HE       MET  20  -0.423  -6.115  -2.457
  140    H    LEU  21           H        LEU  21  -2.038  -1.144  -4.207
  141    HA   LEU  21           HA       LEU  21  -3.942  -0.011  -2.269
  142   1HB   LEU  21          1HB       LEU  21  -1.402  -1.411  -2.069
  143   2HB   LEU  21          2HB       LEU  21  -1.527   0.006  -1.046
  144    HG   LEU  21           HG       LEU  21  -2.152  -2.279  -0.100
  145   1HD1  LEU  21          1HD1      LEU  21  -2.589  -0.217   1.141
  146   2HD1  LEU  21          2HD1      LEU  21  -4.113   0.006   0.215
  147   3HD1  LEU  21          3HD1      LEU  21  -3.935  -1.393   1.330
  148   1HD2  LEU  21          1HD2      LEU  21  -4.663  -1.632  -1.609
  149   2HD2  LEU  21          2HD2      LEU  21  -3.559  -3.020  -1.901
  150   3HD2  LEU  21          3HD2      LEU  21  -4.480  -2.913  -0.360
  151    H    ASN  22           H        ASN  22  -3.871   1.371  -4.472
  152    HA   ASN  22           HA       ASN  22  -2.022   3.618  -3.874
  153   1HB   ASN  22          1HB       ASN  22  -1.622   2.742  -6.073
  154   2HB   ASN  22          2HB       ASN  22  -3.334   2.781  -6.443
  155   1HD2  ASN  22          2HD2      ASN  22  -1.364   5.204  -4.780
  156   2HD2  ASN  22          1HD2      ASN  22  -1.724   6.511  -5.886
  157    H    HIS  23           H        HIS  23  -5.312   2.623  -4.642
  158    HA   HIS  23           HA       HIS  23  -6.331   5.343  -4.491
  159   1HB   HIS  23          1HB       HIS  23  -7.816   2.742  -4.625
  160   2HB   HIS  23          2HB       HIS  23  -8.473   4.340  -4.923
  161    HD1  HIS  23           1HD      HIS  23  -8.769   4.815  -7.385
  162    HD2  HIS  23           2HD      HIS  23  -5.561   2.212  -6.530
  163    HE1  HIS  23           1HE      HIS  23  -7.722   4.172  -9.646
  164    HE2  HIS  23           2HE      HIS  23  -5.758   2.591  -9.116
  165    H    CYS  24           H        CYS  24  -6.549   2.326  -2.587
  166    HA   CYS  24           HA       CYS  24  -7.990   3.431  -0.424
  167   1HB   CYS  24          1HB       CYS  24  -6.492   1.019  -0.959
  168   2HB   CYS  24          2HB       CYS  24  -6.294   1.561   0.696
  169    H    GLY  25           H        GLY  25  -4.744   3.968  -1.461
  170   1HA   GLY  25          1HA       GLY  25  -3.708   4.855   1.049
  171   2HA   GLY  25          2HA       GLY  25  -3.026   5.131  -0.541
  172    H    MET  26           H        MET  26  -5.209   6.499  -1.758
  173    HA   MET  26           HA       MET  26  -4.736   9.141  -0.981
  174   1HB   MET  26          1HB       MET  26  -5.849   8.103  -3.097
  175   2HB   MET  26          2HB       MET  26  -7.332   8.294  -2.182
  176   1HG   MET  26          1HG       MET  26  -6.835  10.689  -1.903
  177   2HG   MET  26          2HG       MET  26  -5.379  10.487  -2.858
  178   1HE   MET  26          1HE       MET  26  -8.730  11.772  -2.885
  179   2HE   MET  26          2HE       MET  26  -7.363  12.658  -3.645
  180   3HE   MET  26          3HE       MET  26  -8.791  12.190  -4.633
  181    H    TYR  27           H        TYR  27  -7.405   6.946  -0.077
  182    HA   TYR  27           HA       TYR  27  -8.959   8.729   1.422
  183   1HB   TYR  27          1HB       TYR  27  -9.685   6.536   0.801
  184   2HB   TYR  27          2HB       TYR  27  -8.359   5.797   1.676
  185    HD1  TYR  27           1HD      TYR  27  -8.950   4.693   3.617
  186    HD2  TYR  27           2HD      TYR  27 -11.123   8.223   2.429
  187    HE1  TYR  27           1HE      TYR  27 -10.373   4.492   5.654
  188    HE2  TYR  27           2HE      TYR  27 -12.570   8.013   4.450
  189    HH   TYR  27           HH       TYR  27 -12.996   6.825   6.300
  190    H    LEU  28           H        LEU  28  -6.015   7.003   2.259
  191    HA   LEU  28           HA       LEU  28  -6.195   7.848   5.055
  192   1HB   LEU  28          1HB       LEU  28  -3.880   6.379   3.906
  193   2HB   LEU  28          2HB       LEU  28  -4.538   6.319   5.529
  194    HG   LEU  28           HG       LEU  28  -6.148   5.294   3.267
  195   1HD1  LEU  28          1HD1      LEU  28  -3.992   4.267   2.869
  196   2HD1  LEU  28          2HD1      LEU  28  -3.916   3.742   4.587
  197   3HD1  LEU  28          3HD1      LEU  28  -5.160   3.050   3.490
  198   1HD2  LEU  28          1HD2      LEU  28  -5.918   4.471   6.156
  199   2HD2  LEU  28          2HD2      LEU  28  -7.224   5.462   5.418
  200   3HD2  LEU  28          3HD2      LEU  28  -7.023   3.740   4.940
  201    H    MET  29           H        MET  29  -4.653   8.685   2.079
  202    HA   MET  29           HA       MET  29  -2.783  10.529   3.317
  203   1HB   MET  29          1HB       MET  29  -2.645   8.945   1.097
  204   2HB   MET  29          2HB       MET  29  -2.948  10.536   0.430
  205   1HG   MET  29          1HG       MET  29  -0.999  10.680   2.528
  206   2HG   MET  29          2HG       MET  29  -0.513   9.507   1.320
  207   1HE   MET  29          1HE       MET  29  -0.184   9.965  -1.196
  208   2HE   MET  29          2HE       MET  29  -1.872  10.580  -1.276
  209   3HE   MET  29          3HE       MET  29  -0.528  11.547  -1.977
  210    H    LYS  30           H        LYS  30  -5.911  10.714   2.942
  211    HA   LYS  30           HA       LYS  30  -6.075  13.250   1.503
  212   1HB   LYS  30          1HB       LYS  30  -7.823  11.442   1.304
  213   2HB   LYS  30          2HB       LYS  30  -8.254  11.774   2.968
  214   1HG   LYS  30          1HG       LYS  30  -8.142  14.251   1.553
  215   2HG   LYS  30          2HG       LYS  30  -9.136  13.133   0.639
  216   1HD   LYS  30          1HD       LYS  30 -10.718  12.966   2.300
  217   2HD   LYS  30          2HD       LYS  30  -9.563  13.283   3.578
  218   1HE   LYS  30          1HE       LYS  30  -9.775  15.578   1.862
  219   2HE   LYS  30          2HE       LYS  30 -11.365  15.105   2.427
  220   1HZ   LYS  30          1HZ       LYS  30 -10.528  15.126   4.656
  221   2HZ   LYS  30          2HZ       LYS  30  -9.025  15.574   4.124
  222   3HZ   LYS  30          3HZ       LYS  30 -10.308  16.604   3.943
  223    H    ASN  31           H        ASN  31  -5.669  12.041   4.728
  224    HA   ASN  31           HA       ASN  31  -6.165  14.768   5.787
  225   1HB   ASN  31          1HB       ASN  31  -6.298  12.018   6.916
  226   2HB   ASN  31          2HB       ASN  31  -5.877  13.340   7.988
  227   1HD2  ASN  31          2HD2      ASN  31  -7.559  14.008   9.119
  228   2HD2  ASN  31          1HD2      ASN  31  -9.189  14.187   8.507
  229    H    LEU  32           H        LEU  32  -3.743  12.664   4.737
  230    HA   LEU  32           HA       LEU  32  -1.728  13.465   6.649
  231   1HB   LEU  32          1HB       LEU  32  -1.632  11.976   4.052
  232   2HB   LEU  32          2HB       LEU  32  -0.214  12.303   5.027
  233    HG   LEU  32           HG       LEU  32  -2.612  10.844   6.074
  234   1HD1  LEU  32          1HD1      LEU  32  -1.707   9.587   4.181
  235   2HD1  LEU  32          2HD1      LEU  32  -0.064   9.695   4.905
  236   3HD1  LEU  32          3HD1      LEU  32  -1.354   8.757   5.737
  237   1HD2  LEU  32          1HD2      LEU  32   0.248  11.054   7.025
  238   2HD2  LEU  32          2HD2      LEU  32  -1.179  11.868   7.756
  239   3HD2  LEU  32          3HD2      LEU  32  -1.047  10.076   7.798
  240    H    GLY  33           H        GLY  33  -3.079  14.806   3.787
  241   1HA   GLY  33          1HA       GLY  33  -1.564  17.204   4.019
  242   2HA   GLY  33          2HA       GLY  33  -0.976  16.244   2.677
  243    H    GLU  34           H        GLU  34  -3.925  17.639   4.092
  244    HA   GLU  34           HA       GLU  34  -4.757  18.486   1.425
  245   1HB   GLU  34          1HB       GLU  34  -5.637  16.100   1.962
  246   2HB   GLU  34          2HB       GLU  34  -6.772  16.962   2.981
  247   1HG   GLU  34          1HG       GLU  34  -6.449  17.966   0.225
  248   2HG   GLU  34          2HG       GLU  34  -7.251  16.419   0.407
  249    H    ARG  35           H        ARG  35  -5.748  20.395   1.483
  250    HA   ARG  35           HA       ARG  35  -5.899  21.906   3.837
  251   1HB   ARG  35          1HB       ARG  35  -6.415  22.295   1.071
  252   2HB   ARG  35          2HB       ARG  35  -7.791  22.909   1.966
  253   1HG   ARG  35          1HG       ARG  35  -6.169  24.156   3.426
  254   2HG   ARG  35          2HG       ARG  35  -4.900  23.677   2.318
  255   1HD   ARG  35          1HD       ARG  35  -6.551  24.688   0.521
  256   2HD   ARG  35          2HD       ARG  35  -7.148  25.586   1.902
  257    HE   ARG  35           HE       ARG  35  -5.161  26.804   1.986
  258   1HH1  ARG  35          1HH2      ARG  35  -4.915  24.189  -0.333
  259   2HH1  ARG  35          2HH2      ARG  35  -3.406  24.779  -0.992
  260   1HH2  ARG  35          1HH1      ARG  35  -3.219  27.513   1.128
  261   2HH2  ARG  35          2HH1      ARG  35  -2.462  26.629  -0.178
  262    H    SER  36           H        SER  36  -6.967  20.909   5.521
  263    HA   SER  36           HA       SER  36  -9.399  19.511   5.336
  264   1HB   SER  36          1HB       SER  36  -8.029  19.388   7.318
  265   2HB   SER  36          2HB       SER  36  -8.221  21.107   7.601
  266    HG   SER  36           HG       SER  36  -9.596  19.842   8.922
  267    H    GLN  37           H        GLN  37  -8.680  22.953   5.703
  268    HA   GLN  37           HA       GLN  37 -11.012  24.134   6.304
  269   1HB   GLN  37          1HB       GLN  37 -10.458  25.951   4.766
  270   2HB   GLN  37          2HB       GLN  37  -9.072  25.413   5.692
  271   1HG   GLN  37          1HG       GLN  37  -7.969  25.122   3.780
  272   2HG   GLN  37          2HG       GLN  37  -9.100  23.849   3.365
  273   1HE2  GLN  37          2HE2      GLN  37  -8.412  27.288   3.105
  274   2HE2  GLN  37          1HE2      GLN  37  -9.360  27.570   1.661
  275    H    VAL  38           H        VAL  38 -13.039  24.006   5.774
  276    HA   VAL  38           HA       VAL  38 -13.777  23.461   2.991
  277    HB   VAL  38           HB       VAL  38 -13.588  21.264   4.055
  278   1HG1  VAL  38          1HG1      VAL  38 -14.123  21.853   6.368
  279   2HG1  VAL  38          2HG1      VAL  38 -15.807  22.244   5.873
  280   3HG1  VAL  38          3HG1      VAL  38 -15.208  20.552   5.764
  281   1HG2  VAL  38          1HG2      VAL  38 -16.404  22.129   3.342
  282   2HG2  VAL  38          2HG2      VAL  38 -15.123  21.610   2.193
  283   3HG2  VAL  38          3HG2      VAL  38 -15.810  20.432   3.365
  284    H    SER  39           H        SER  39 -15.072  25.026   2.439
  285    HA   SER  39           HA       SER  39 -16.524  26.570   4.378
  286   1HB   SER  39          1HB       SER  39 -16.373  27.992   2.680
  287   2HB   SER  39          2HB       SER  39 -15.952  26.704   1.569
  288    HG   SER  39           HG       SER  39 -17.874  27.796   0.955
  289    HA   PRO  40           HA       PRO  40 -20.349  24.341   2.720
  290   1HB   PRO  40          1HB       PRO  40 -20.047  22.207   0.999
  291   2HB   PRO  40          2HB       PRO  40 -20.370  23.857   0.503
  292   1HG   PRO  40          1HG       PRO  40 -17.871  22.324   0.308
  293   2HG   PRO  40          2HG       PRO  40 -18.338  23.783  -0.544
  294   1HD   PRO  40          1HD       PRO  40 -16.596  23.579   1.682
  295   2HD   PRO  40          2HD       PRO  40 -17.157  25.044   0.904
  296    H    ARG  41           H        ARG  41 -21.129  21.709   2.569
  297    HA   ARG  41           HA       ARG  41 -20.829  20.737   5.137
  298   1HB   ARG  41          1HB       ARG  41 -21.926  19.760   2.654
  299   2HB   ARG  41          2HB       ARG  41 -21.184  18.463   3.569
  300   1HG   ARG  41          1HG       ARG  41 -23.254  18.432   4.537
  301   2HG   ARG  41          2HG       ARG  41 -22.502  19.639   5.560
  302   1HD   ARG  41          1HD       ARG  41 -23.352  21.313   3.749
  303   2HD   ARG  41          2HD       ARG  41 -24.449  20.015   3.323
  304    HE   ARG  41           HE       ARG  41 -24.655  20.292   6.082
  305   1HH1  ARG  41          1HH2      ARG  41 -25.257  22.313   3.295
  306   2HH1  ARG  41          2HH2      ARG  41 -26.500  23.238   4.106
  307   1HH2  ARG  41          1HH1      ARG  41 -26.242  21.501   7.093
  308   2HH2  ARG  41          2HH1      ARG  41 -27.048  22.787   6.222
  309    H    MET  42           H        MET  42 -19.485  18.865   2.469
  310    HA   MET  42           HA       MET  42 -16.849  18.738   3.673
  311   1HB   MET  42          1HB       MET  42 -18.296  16.140   3.474
  312   2HB   MET  42          2HB       MET  42 -16.824  16.518   4.346
  313   1HG   MET  42          1HG       MET  42 -18.107  17.806   5.961
  314   2HG   MET  42          2HG       MET  42 -19.581  17.443   5.085
  315   1HE   MET  42          1HE       MET  42 -19.794  16.944   7.969
  316   2HE   MET  42          2HE       MET  42 -21.001  16.354   6.774
  317   3HE   MET  42          3HE       MET  42 -20.380  15.247   8.047
  318    H    ARG  43           H        ARG  43 -16.089  16.329   2.447
  319    HA   ARG  43           HA       ARG  43 -16.819  15.781  -0.139
  320   1HB   ARG  43          1HB       ARG  43 -15.517  18.366   0.057
  321   2HB   ARG  43          2HB       ARG  43 -14.602  17.266  -0.955
  322   1HG   ARG  43          1HG       ARG  43 -16.162  17.294  -2.583
  323   2HG   ARG  43          2HG       ARG  43 -17.480  17.148  -1.437
  324   1HD   ARG  43          1HD       ARG  43 -17.861  19.257  -2.336
  325   2HD   ARG  43          2HD       ARG  43 -16.939  19.640  -0.896
  326    HE   ARG  43           HE       ARG  43 -15.256  20.471  -2.225
  327   1HH1  ARG  43          1HH2      ARG  43 -17.305  18.400  -4.182
  328   2HH1  ARG  43          2HH2      ARG  43 -16.439  18.771  -5.656
  329   1HH2  ARG  43          1HH1      ARG  43 -14.166  20.893  -4.133
  330   2HH2  ARG  43          2HH1      ARG  43 -14.698  20.155  -5.627
  331    H    GLU  44           H        GLU  44 -15.778  14.003  -0.669
  332    HA   GLU  44           HA       GLU  44 -13.091  13.456  -0.615
  333   1HB   GLU  44          1HB       GLU  44 -12.887  12.027   1.474
  334   2HB   GLU  44          2HB       GLU  44 -12.779  13.763   1.684
  335   1HG   GLU  44          1HG       GLU  44 -15.517  12.989   1.914
  336   2HG   GLU  44          2HG       GLU  44 -14.556  11.955   2.953
  337    H    GLU  45           H        GLU  45 -13.112  11.946  -2.086
  338    HA   GLU  45           HA       GLU  45 -15.249  10.130  -2.466
  339   1HB   GLU  45          1HB       GLU  45 -13.550   8.896  -3.888
  340   2HB   GLU  45          2HB       GLU  45 -13.904  10.555  -4.326
  341   1HG   GLU  45          1HG       GLU  45 -11.689  10.245  -2.418
  342   2HG   GLU  45          2HG       GLU  45 -11.387   9.553  -3.999
  343    H    ASP  46           H        ASP  46 -14.458   7.630  -2.772
  344    HA   ASP  46           HA       ASP  46 -13.087   6.651  -0.392
  345   1HB   ASP  46          1HB       ASP  46 -15.275   6.972   0.546
  346   2HB   ASP  46          2HB       ASP  46 -16.028   6.209  -0.840
  347    H    HIS  47           H        HIS  47 -11.671   5.408  -1.521
  348    HA   HIS  47           HA       HIS  47 -12.859   3.504  -3.459
  349   1HB   HIS  47          1HB       HIS  47 -10.013   4.419  -3.423
  350   2HB   HIS  47          2HB       HIS  47 -10.850   3.545  -4.691
  351    HD1  HIS  47           1HD      HIS  47 -13.257   5.215  -5.358
  352    HD2  HIS  47           2HD      HIS  47  -9.523   6.859  -4.235
  353    HE1  HIS  47           1HE      HIS  47 -13.226   7.633  -6.244
  354    HE2  HIS  47           2HE      HIS  47 -10.912   8.576  -5.652
  355    H    LYS  48           H        LYS  48 -13.429   2.230  -1.590
  356    HA   LYS  48           HA       LYS  48 -11.113   0.816  -0.423
  357   1HB   LYS  48          1HB       LYS  48 -13.014   1.929   0.957
  358   2HB   LYS  48          2HB       LYS  48 -13.886   0.459   0.571
  359   1HG   LYS  48          1HG       LYS  48 -12.309  -0.902   1.682
  360   2HG   LYS  48          2HG       LYS  48 -11.101   0.367   1.701
  361   1HD   LYS  48          1HD       LYS  48 -11.899   1.236   3.619
  362   2HD   LYS  48          2HD       LYS  48 -13.559   1.137   3.065
  363   1HE   LYS  48          1HE       LYS  48 -12.535  -1.502   3.588
  364   2HE   LYS  48          2HE       LYS  48 -12.312  -0.483   4.996
  365   1HZ   LYS  48          1HZ       LYS  48 -14.626   0.086   4.890
  366   2HZ   LYS  48          2HZ       LYS  48 -14.837  -0.877   3.560
  367   3HZ   LYS  48          3HZ       LYS  48 -14.440  -1.555   5.018
  368    H    GLN  49           H        GLN  49 -13.380   0.562  -2.850
  369    HA   GLN  49           HA       GLN  49 -13.331  -2.386  -2.811
  370   1HB   GLN  49          1HB       GLN  49 -15.394  -0.684  -3.297
  371   2HB   GLN  49          2HB       GLN  49 -14.823  -0.999  -4.923
  372   1HG   GLN  49          1HG       GLN  49 -14.839  -3.473  -4.269
  373   2HG   GLN  49          2HG       GLN  49 -15.774  -2.983  -2.871
  374   1HE2  GLN  49          2HE2      GLN  49 -17.651  -4.056  -3.431
  375   2HE2  GLN  49          1HE2      GLN  49 -18.636  -3.581  -4.797
  376    H    LEU  50           H        LEU  50 -11.982   0.406  -4.408
  377    HA   LEU  50           HA       LEU  50 -11.140  -1.027  -6.771
  378   1HB   LEU  50          1HB       LEU  50 -10.766   1.672  -5.604
  379   2HB   LEU  50          2HB       LEU  50  -9.585   1.126  -6.777
  380    HG   LEU  50           HG       LEU  50 -12.536   1.082  -7.321
  381   1HD1  LEU  50          1HD1      LEU  50 -11.906   3.397  -6.803
  382   2HD1  LEU  50          2HD1      LEU  50 -10.547   3.284  -7.976
  383   3HD1  LEU  50          3HD1      LEU  50 -12.247   3.205  -8.558
  384   1HD2  LEU  50          1HD2      LEU  50 -10.117   1.039  -9.155
  385   2HD2  LEU  50          2HD2      LEU  50 -11.169  -0.364  -8.760
  386   3HD2  LEU  50          3HD2      LEU  50 -11.835   1.025  -9.686
  387    H    CYS  51           H        CYS  51  -9.840  -0.400  -3.543
  388    HA   CYS  51           HA       CYS  51  -7.229  -1.433  -4.245
  389   1HB   CYS  51          1HB       CYS  51  -6.865  -1.357  -1.786
  390   2HB   CYS  51          2HB       CYS  51  -7.271   0.176  -2.532
  391    H    CYS  52           H        CYS  52  -9.987  -2.585  -2.258
  392    HA   CYS  52           HA       CYS  52  -8.973  -5.165  -1.804
  393   1HB   CYS  52          1HB       CYS  52 -11.030  -3.954  -0.822
  394   2HB   CYS  52          2HB       CYS  52 -11.884  -4.683  -2.167
  395    H    MET  53           H        MET  53 -10.127  -3.730  -4.682
  396    HA   MET  53           HA       MET  53 -10.867  -6.108  -6.081
  397   1HB   MET  53          1HB       MET  53 -11.751  -4.027  -6.840
  398   2HB   MET  53          2HB       MET  53 -10.148  -3.336  -6.980
  399   1HG   MET  53          1HG       MET  53 -11.107  -3.993  -9.165
  400   2HG   MET  53          2HG       MET  53  -9.612  -4.831  -8.798
  401   1HE   MET  53          1HE       MET  53  -9.675  -6.916 -10.183
  402   2HE   MET  53          2HE       MET  53  -9.313  -7.316  -8.468
  403   3HE   MET  53          3HE       MET  53 -10.433  -8.355  -9.416
  404    H    GLN  54           H        GLN  54  -8.223  -3.885  -7.009
  405    HA   GLN  54           HA       GLN  54  -6.853  -5.760  -8.537
  406   1HB   GLN  54          1HB       GLN  54  -6.189  -3.204  -7.233
  407   2HB   GLN  54          2HB       GLN  54  -4.835  -4.211  -7.705
  408   1HG   GLN  54          1HG       GLN  54  -5.052  -3.207  -9.695
  409   2HG   GLN  54          2HG       GLN  54  -6.378  -4.328  -9.930
  410   1HE2  GLN  54          2HE2      GLN  54  -6.953  -2.519 -11.486
  411   2HE2  GLN  54          1HE2      GLN  54  -7.980  -1.258 -10.843
  412    H    LEU  55           H        LEU  55  -6.649  -5.099  -5.061
  413    HA   LEU  55           HA       LEU  55  -4.419  -6.569  -4.375
  414   1HB   LEU  55          1HB       LEU  55  -6.983  -5.903  -3.116
  415   2HB   LEU  55          2HB       LEU  55  -6.040  -7.174  -2.366
  416    HG   LEU  55           HG       LEU  55  -4.593  -4.706  -3.009
  417   1HD1  LEU  55          1HD1      LEU  55  -6.704  -3.737  -2.255
  418   2HD1  LEU  55          2HD1      LEU  55  -6.660  -4.774  -0.787
  419   3HD1  LEU  55          3HD1      LEU  55  -5.421  -3.492  -1.018
  420   1HD2  LEU  55          1HD2      LEU  55  -4.670  -6.476  -0.547
  421   2HD2  LEU  55          2HD2      LEU  55  -3.457  -6.547  -1.873
  422   3HD2  LEU  55          3HD2      LEU  55  -3.545  -5.098  -0.812
  423    H    LYS  56           H        LYS  56  -7.638  -7.800  -5.196
  424    HA   LYS  56           HA       LYS  56  -6.973 -10.548  -4.798
  425   1HB   LYS  56          1HB       LYS  56  -9.257  -9.838  -4.703
  426   2HB   LYS  56          2HB       LYS  56  -9.173  -9.204  -6.334
  427   1HG   LYS  56          1HG       LYS  56  -9.940 -11.194  -7.024
  428   2HG   LYS  56          2HG       LYS  56  -8.367 -11.843  -6.607
  429   1HD   LYS  56          1HD       LYS  56  -9.496 -11.909  -4.189
  430   2HD   LYS  56          2HD       LYS  56 -10.941 -12.059  -5.168
  431   1HE   LYS  56          1HE       LYS  56 -10.409 -14.156  -5.849
  432   2HE   LYS  56          2HE       LYS  56  -8.710 -13.768  -6.028
  433   1HZ   LYS  56          1HZ       LYS  56  -8.476 -13.917  -3.659
  434   2HZ   LYS  56          2HZ       LYS  56 -10.082 -14.284  -3.489
  435   3HZ   LYS  56          3HZ       LYS  56  -9.069 -15.337  -4.269
  436    H    ASN  57           H        ASN  57  -7.022  -8.442  -7.704
  437    HA   ASN  57           HA       ASN  57  -6.279 -10.260  -9.636
  438   1HB   ASN  57          1HB       ASN  57  -6.237  -7.474  -9.380
  439   2HB   ASN  57          2HB       ASN  57  -4.617  -7.928  -9.867
  440   1HD2  ASN  57          2HD2      ASN  57  -8.001  -7.971 -10.681
  441   2HD2  ASN  57          1HD2      ASN  57  -7.805  -8.348 -12.378
  442    H    LEU  58           H        LEU  58  -4.293  -9.049  -7.005
  443    HA   LEU  58           HA       LEU  58  -1.884 -10.241  -8.034
  444   1HB   LEU  58          1HB       LEU  58  -2.686  -8.605  -5.746
  445   2HB   LEU  58          2HB       LEU  58  -1.347  -9.697  -5.452
  446    HG   LEU  58           HG       LEU  58  -1.497  -7.592  -7.599
  447   1HD1  LEU  58          1HD1      LEU  58  -1.116  -6.694  -5.344
  448   2HD1  LEU  58          2HD1      LEU  58   0.240  -7.853  -5.121
  449   3HD1  LEU  58          3HD1      LEU  58   0.366  -6.550  -6.353
  450   1HD2  LEU  58          1HD2      LEU  58   0.758  -9.524  -6.943
  451   2HD2  LEU  58          2HD2      LEU  58  -0.267  -9.571  -8.418
  452   3HD2  LEU  58          3HD2      LEU  58   0.839  -8.182  -8.135
  453    H    ASP  59           H        ASP  59  -0.589 -11.747  -6.650
  454    HA   ASP  59           HA       ASP  59  -2.199 -14.125  -6.245
  455   1HB   ASP  59          1HB       ASP  59   0.390 -13.644  -6.962
  456   2HB   ASP  59          2HB       ASP  59   0.562 -14.151  -5.294
  457    H    GLU  60           H        GLU  60  -2.425 -15.285  -4.237
  458    HA   GLU  60           HA       GLU  60  -2.888 -13.708  -1.942
  459   1HB   GLU  60          1HB       GLU  60  -3.448 -16.267  -2.687
  460   2HB   GLU  60          2HB       GLU  60  -2.237 -16.515  -1.444
  461   1HG   GLU  60          1HG       GLU  60  -3.744 -14.704  -0.195
  462   2HG   GLU  60          2HG       GLU  60  -4.972 -15.408  -1.227
  463    H    LYS  61           H        LYS  61   0.020 -15.137  -3.179
  464    HA   LYS  61           HA       LYS  61   1.478 -14.818  -0.695
  465   1HB   LYS  61          1HB       LYS  61   3.319 -15.705  -1.866
  466   2HB   LYS  61          2HB       LYS  61   1.907 -16.598  -2.394
  467   1HG   LYS  61          1HG       LYS  61   1.872 -15.528  -4.489
  468   2HG   LYS  61          2HG       LYS  61   2.919 -14.235  -3.943
  469   1HD   LYS  61          1HD       LYS  61   4.790 -15.791  -3.785
  470   2HD   LYS  61          2HD       LYS  61   3.749 -17.113  -4.272
  471   1HE   LYS  61          1HE       LYS  61   3.278 -15.748  -6.386
  472   2HE   LYS  61          2HE       LYS  61   4.644 -14.757  -5.915
  473   1HZ   LYS  61          1HZ       LYS  61   6.005 -16.717  -5.915
  474   2HZ   LYS  61          2HZ       LYS  61   4.714 -17.654  -6.361
  475   3HZ   LYS  61          3HZ       LYS  61   5.301 -16.505  -7.399
  476    H    CYS  62           H        CYS  62   0.558 -12.749  -3.226
  477    HA   CYS  62           HA       CYS  62   2.629 -10.779  -2.627
  478   1HB   CYS  62          1HB       CYS  62   0.506 -10.960  -4.728
  479   2HB   CYS  62          2HB       CYS  62   1.535  -9.559  -4.508
  480    H    MET  63           H        MET  63   0.082 -11.723  -0.999
  481    HA   MET  63           HA       MET  63  -1.023  -9.014  -0.597
  482   1HB   MET  63          1HB       MET  63  -2.133 -11.679   0.164
  483   2HB   MET  63          2HB       MET  63  -2.930 -10.128   0.342
  484   1HG   MET  63          1HG       MET  63  -2.573  -9.978  -2.215
  485   2HG   MET  63          2HG       MET  63  -2.423 -11.719  -2.098
  486   1HE   MET  63          1HE       MET  63  -4.282 -13.329  -1.182
  487   2HE   MET  63          2HE       MET  63  -4.363 -12.355   0.327
  488   3HE   MET  63          3HE       MET  63  -5.870 -12.752  -0.568
  489    H    CYS  64           H        CYS  64   1.296  -8.979   0.522
  490    HA   CYS  64           HA       CYS  64   1.019  -8.627   3.238
  491   1HB   CYS  64          1HB       CYS  64   0.831 -10.697   4.092
  492   2HB   CYS  64          2HB       CYS  64   1.410 -11.459   2.624
  493    HA   PRO  65           HA       PRO  65   5.578  -8.792   2.095
  494   1HB   PRO  65          1HB       PRO  65   6.362 -10.028  -0.250
  495   2HB   PRO  65          2HB       PRO  65   6.385 -10.782   1.331
  496   1HG   PRO  65          1HG       PRO  65   4.547 -11.235  -0.901
  497   2HG   PRO  65          2HG       PRO  65   4.838 -12.236   0.508
  498   1HD   PRO  65          1HD       PRO  65   2.630 -10.516   0.047
  499   2HD   PRO  65          2HD       PRO  65   2.976 -11.435   1.498
  500    H    ALA  66           H        ALA  66   3.438  -8.638  -0.703
  501    HA   ALA  66           HA       ALA  66   4.926  -6.681  -2.119
  502   1HB   ALA  66          1HB       ALA  66   3.257  -8.129  -3.173
  503   2HB   ALA  66          2HB       ALA  66   1.979  -7.373  -2.159
  504   3HB   ALA  66          3HB       ALA  66   2.842  -6.394  -3.394
  505    H    ILE  67           H        ILE  67   2.056  -6.442   0.044
  506    HA   ILE  67           HA       ILE  67   1.542  -3.791   0.038
  507    HB   ILE  67           HB       ILE  67   1.782  -5.606   2.399
  508   1HG1  ILE  67          1HG1      ILE  67  -0.224  -5.133   0.330
  509   2HG1  ILE  67          2HG1      ILE  67   0.044  -6.542   1.336
  510   1HG2  ILE  67          1HG2      ILE  67   1.986  -3.307   3.196
  511   2HG2  ILE  67          2HG2      ILE  67   0.511  -2.854   2.272
  512   3HG2  ILE  67          3HG2      ILE  67   0.389  -3.994   3.656
  513   1HD1  ILE  67          1HD1      ILE  67  -1.090  -5.438   3.225
  514   2HD1  ILE  67          2HD1      ILE  67  -1.365  -3.991   2.193
  515   3HD1  ILE  67          3HD1      ILE  67  -2.163  -5.551   1.787
  516    H    MET  68           H        MET  68   4.130  -5.237   2.095
  517    HA   MET  68           HA       MET  68   5.238  -2.981   3.146
  518   1HB   MET  68          1HB       MET  68   6.241  -4.961   3.748
  519   2HB   MET  68          2HB       MET  68   6.413  -5.497   2.089
  520   1HG   MET  68          1HG       MET  68   8.379  -4.398   1.800
  521   2HG   MET  68          2HG       MET  68   7.888  -3.046   2.800
  522   1HE   MET  68          1HE       MET  68  10.604  -3.284   3.368
  523   2HE   MET  68          2HE       MET  68   9.482  -2.498   4.533
  524   3HE   MET  68          3HE       MET  68  10.730  -3.651   5.123
  525    H    MET  69           H        MET  69   6.198  -4.314  -0.013
  526    HA   MET  69           HA       MET  69   7.761  -2.145  -0.842
  527   1HB   MET  69          1HB       MET  69   6.305  -4.354  -2.187
  528   2HB   MET  69          2HB       MET  69   7.093  -3.113  -3.140
  529   1HG   MET  69          1HG       MET  69   8.483  -4.714  -1.017
  530   2HG   MET  69          2HG       MET  69   8.484  -5.142  -2.715
  531   1HE   MET  69          1HE       MET  69  11.095  -5.161  -2.818
  532   2HE   MET  69          2HE       MET  69  10.262  -4.503  -4.268
  533   3HE   MET  69          3HE       MET  69  11.739  -3.697  -3.638
  534    H    MET  70           H        MET  70   4.270  -2.617  -1.069
  535    HA   MET  70           HA       MET  70   3.612  -0.641  -2.905
  536   1HB   MET  70          1HB       MET  70   1.536  -1.160  -2.294
  537   2HB   MET  70          2HB       MET  70   2.268  -2.324  -1.208
  538   1HG   MET  70          1HG       MET  70   2.344  -0.466   0.500
  539   2HG   MET  70          2HG       MET  70   1.301   0.435  -0.581
  540   1HE   MET  70          1HE       MET  70   0.268   0.365   2.111
  541   2HE   MET  70          2HE       MET  70  -0.714   0.863   0.690
  542   3HE   MET  70          3HE       MET  70  -1.394  -0.286   1.893
  543    H    LEU  71           H        LEU  71   4.476  -0.346   0.520
  544    HA   LEU  71           HA       LEU  71   3.950   2.522   0.445
  545   1HB   LEU  71          1HB       LEU  71   4.958   0.853   2.719
  546   2HB   LEU  71          2HB       LEU  71   4.373   2.503   2.803
  547    HG   LEU  71           HG       LEU  71   2.276   1.120   1.672
  548   1HD1  LEU  71          1HD1      LEU  71   3.331  -1.025   2.204
  549   2HD1  LEU  71          2HD1      LEU  71   3.471  -0.520   3.924
  550   3HD1  LEU  71          3HD1      LEU  71   1.849  -0.771   3.190
  551   1HD2  LEU  71          1HD2      LEU  71   2.733   1.794   4.581
  552   2HD2  LEU  71          2HD2      LEU  71   2.090   2.905   3.322
  553   3HD2  LEU  71          3HD2      LEU  71   1.142   1.459   3.813
  554    H    ASN  72           H        ASN  72   6.131   0.975  -1.031
  555    HA   ASN  72           HA       ASN  72   8.394   2.678  -0.195
  556   1HB   ASN  72          1HB       ASN  72   8.373  -0.064  -1.430
  557   2HB   ASN  72          2HB       ASN  72   9.811   0.925  -1.272
  558   1HD2  ASN  72          2HD2      ASN  72   9.717   1.991   1.151
  559   2HD2  ASN  72          1HD2      ASN  72   9.718   0.738   2.373
  560    H    GLU  73           H        GLU  73   5.998   2.303  -2.437
  561    HA   GLU  73           HA       GLU  73   7.437   2.696  -4.850
  562   1HB   GLU  73          1HB       GLU  73   4.727   2.391  -4.033
  563   2HB   GLU  73          2HB       GLU  73   4.842   3.791  -5.081
  564   1HG   GLU  73          1HG       GLU  73   6.397   2.045  -6.445
  565   2HG   GLU  73          2HG       GLU  73   5.266   0.933  -5.701
  566    HA   PRO  74           HA       PRO  74   8.062   7.016  -4.983
  567   1HB   PRO  74          1HB       PRO  74   7.113   7.817  -7.433
  568   2HB   PRO  74          2HB       PRO  74   8.652   7.024  -7.164
  569   1HG   PRO  74          1HG       PRO  74   6.190   5.928  -8.341
  570   2HG   PRO  74          2HG       PRO  74   7.831   5.328  -8.464
  571   1HD   PRO  74          1HD       PRO  74   5.766   4.352  -6.788
  572   2HD   PRO  74          2HD       PRO  74   7.437   3.827  -6.832
  573    H    MET  75           H        MET  75   5.756   6.340  -3.550
  574    HA   MET  75           HA       MET  75   4.465   8.869  -3.449
  575   1HB   MET  75          1HB       MET  75   3.405   7.571  -5.456
  576   2HB   MET  75          2HB       MET  75   2.599   6.656  -4.199
  577   1HG   MET  75          1HG       MET  75   1.193   8.342  -3.733
  578   2HG   MET  75          2HG       MET  75   2.488   9.522  -3.731
  579   1HE   MET  75          1HE       MET  75   2.044  11.517  -5.035
  580   2HE   MET  75          2HE       MET  75   3.447  10.722  -5.830
  581   3HE   MET  75          3HE       MET  75   2.139  11.447  -6.829
  582    H    TRP  76           H        TRP  76   5.847   6.768  -1.752
  583    HA   TRP  76           HA       TRP  76   4.020   6.887   0.467
  584   1HB   TRP  76          1HB       TRP  76   4.719   4.232  -0.719
  585   2HB   TRP  76          2HB       TRP  76   3.981   4.468   0.853
  586    HD1  TRP  76           HD       TRP  76   3.040   3.616  -2.564
  587    HE1  TRP  76           1HE      TRP  76   0.553   4.066  -3.043
  588    HE3  TRP  76           3HE      TRP  76   2.027   6.589   1.417
  589    HZ2  TRP  76           2HZ      TRP  76  -1.573   5.608  -1.889
  590    HZ3  TRP  76           3HZ      TRP  76  -0.239   7.520   1.731
  591    HH2  TRP  76           HH       TRP  76  -2.019   7.057   0.091
  592    H    ILE  77           H        ILE  77   5.652   8.078   1.465
  593    HA   ILE  77           HA       ILE  77   8.068   6.499   2.119
  594    HB   ILE  77           HB       ILE  77   7.983   9.288   1.083
  595   1HG1  ILE  77          1HG1      ILE  77   9.870   8.432  -0.326
  596   2HG1  ILE  77          2HG1      ILE  77   9.513   6.833   0.297
  597   1HG2  ILE  77          1HG2      ILE  77   9.271   9.401   3.154
  598   2HG2  ILE  77          2HG2      ILE  77  10.267   8.004   2.615
  599   3HG2  ILE  77          3HG2      ILE  77  10.354   9.566   1.728
  600   1HD1  ILE  77          1HD1      ILE  77   7.218   6.968  -0.606
  601   2HD1  ILE  77          2HD1      ILE  77   7.583   8.608  -1.245
  602   3HD1  ILE  77          3HD1      ILE  77   8.449   7.175  -1.901
  603    H    ARG  78           H        ARG  78   7.103   9.813   2.959
  604    HA   ARG  78           HA       ARG  78   7.268   9.045   5.803
  605   1HB   ARG  78          1HB       ARG  78   7.362  11.604   4.290
  606   2HB   ARG  78          2HB       ARG  78   6.857  11.630   5.967
  607   1HG   ARG  78          1HG       ARG  78   8.967  11.378   6.679
  608   2HG   ARG  78          2HG       ARG  78   9.216   9.998   5.629
  609   1HD   ARG  78          1HD       ARG  78  10.368  11.223   4.140
  610   2HD   ARG  78          2HD       ARG  78   9.160  12.492   4.143
  611    HE   ARG  78           HE       ARG  78  11.647  12.442   5.625
  612   1HH1  ARG  78          1HH2      ARG  78   8.407  13.775   5.554
  613   2HH1  ARG  78          2HH2      ARG  78   8.834  15.136   6.567
  614   1HH2  ARG  78          1HH1      ARG  78  12.147  14.190   6.939
  615   2HH2  ARG  78          2HH1      ARG  78  10.914  15.366   7.337
  616    H    MET  79           H        MET  79   5.085  10.521   3.449
  617    HA   MET  79           HA       MET  79   2.887  10.885   5.202
  618   1HB   MET  79          1HB       MET  79   1.617  10.595   2.923
  619   2HB   MET  79          2HB       MET  79   2.620  12.005   3.204
  620   1HG   MET  79          1HG       MET  79   4.358  11.184   1.867
  621   2HG   MET  79          2HG       MET  79   3.751   9.542   1.931
  622   1HE   MET  79          1HE       MET  79   2.923   8.480   0.025
  623   2HE   MET  79          2HE       MET  79   1.412   8.865   0.920
  624   3HE   MET  79          3HE       MET  79   1.484   9.090  -0.862
  625    H    ARG  80           H        ARG  80   4.212   8.026   3.679
  626    HA   ARG  80           HA       ARG  80   1.852   6.449   3.991
  627   1HB   ARG  80          1HB       ARG  80   3.266   4.575   3.543
  628   2HB   ARG  80          2HB       ARG  80   3.662   5.879   2.441
  629   1HG   ARG  80          1HG       ARG  80   5.734   5.940   3.157
  630   2HG   ARG  80          2HG       ARG  80   5.200   6.116   4.816
  631   1HD   ARG  80          1HD       ARG  80   4.892   3.581   4.730
  632   2HD   ARG  80          2HD       ARG  80   5.943   3.671   3.331
  633    HE   ARG  80           HE       ARG  80   7.255   5.097   5.302
  634   1HH1  ARG  80          1HH2      ARG  80   6.045   1.831   4.971
  635   2HH1  ARG  80          2HH2      ARG  80   7.262   1.163   6.036
  636   1HH2  ARG  80          1HH1      ARG  80   8.802   4.200   6.665
  637   2HH2  ARG  80          2HH1      ARG  80   8.792   2.479   6.977
  638    H    ASP  81           H        ASP  81   4.378   7.411   6.198
  639    HA   ASP  81           HA       ASP  81   4.512   5.394   8.048
  640   1HB   ASP  81          1HB       ASP  81   5.354   7.905   7.993
  641   2HB   ASP  81          2HB       ASP  81   3.971   8.135   9.044
  642    H    GLN  82           H        GLN  82   1.831   7.618   7.465
  643    HA   GLN  82           HA       GLN  82   0.237   6.459   9.592
  644   1HB   GLN  82          1HB       GLN  82   0.043   8.668   7.690
  645   2HB   GLN  82          2HB       GLN  82  -1.471   7.937   8.183
  646   1HG   GLN  82          1HG       GLN  82  -1.363   9.169  10.042
  647   2HG   GLN  82          2HG       GLN  82  -0.012   8.169  10.538
  648   1HE2  GLN  82          2HE2      GLN  82  -0.955  11.239  10.410
  649   2HE2  GLN  82          1HE2      GLN  82   0.556  12.052  10.067
  650    H    VAL  83           H        VAL  83   0.094   6.480   6.026
  651    HA   VAL  83           HA       VAL  83  -2.101   4.723   5.832
  652    HB   VAL  83           HB       VAL  83  -1.729   4.656   3.592
  653   1HG1  VAL  83          1HG1      VAL  83  -2.056   6.952   4.317
  654   2HG1  VAL  83          2HG1      VAL  83  -0.281   7.144   4.525
  655   3HG1  VAL  83          3HG1      VAL  83  -0.972   6.891   2.884
  656   1HG2  VAL  83          1HG2      VAL  83   1.218   5.072   4.067
  657   2HG2  VAL  83          2HG2      VAL  83   0.415   3.534   3.596
  658   3HG2  VAL  83          3HG2      VAL  83   0.418   4.930   2.463
  659    H    MET  84           H        MET  84   0.948   4.084   7.046
  660    HA   MET  84           HA       MET  84   1.416   1.451   6.122
  661   1HB   MET  84          1HB       MET  84   2.606   3.355   7.902
  662   2HB   MET  84          2HB       MET  84   2.522   1.790   8.682
  663   1HG   MET  84          1HG       MET  84   3.443   0.947   6.381
  664   2HG   MET  84          2HG       MET  84   3.997   2.604   6.238
  665   1HE   MET  84          1HE       MET  84   6.001   3.565   7.232
  666   2HE   MET  84          2HE       MET  84   4.951   3.763   8.678
  667   3HE   MET  84          3HE       MET  84   6.623   3.129   8.861
  668    H    SER  85           H        SER  85   0.268   2.693   9.280
  669    HA   SER  85           HA       SER  85  -0.614   0.113  10.141
  670   1HB   SER  85          1HB       SER  85  -1.048   1.109  12.123
  671   2HB   SER  85          2HB       SER  85  -0.034   2.365  11.444
  672    HG   SER  85           HG       SER  85  -1.985   3.186  12.307
  673    H    MET  86           H        MET  86  -2.159   2.855   8.561
  674    HA   MET  86           HA       MET  86  -4.846   2.039   8.919
  675   1HB   MET  86          1HB       MET  86  -3.475   3.683   6.821
  676   2HB   MET  86          2HB       MET  86  -5.215   3.523   6.950
  677   1HG   MET  86          1HG       MET  86  -3.443   4.597   9.125
  678   2HG   MET  86          2HG       MET  86  -4.332   5.590   7.988
  679   1HE   MET  86          1HE       MET  86  -4.362   3.406  11.131
  680   2HE   MET  86          2HE       MET  86  -4.327   5.189  11.363
  681   3HE   MET  86          3HE       MET  86  -5.734   4.234  11.947
  682    H    ALA  87           H        ALA  87  -2.487   1.471   6.340
  683    HA   ALA  87           HA       ALA  87  -4.299  -0.348   4.969
  684   1HB   ALA  87          1HB       ALA  87  -2.978   1.211   3.651
  685   2HB   ALA  87          2HB       ALA  87  -1.471   0.537   4.364
  686   3HB   ALA  87          3HB       ALA  87  -2.497  -0.487   3.299
  687    H    HIS  88           H        HIS  88  -3.220  -0.889   7.735
  688    HA   HIS  88           HA       HIS  88  -1.769  -3.395   7.147
  689   1HB   HIS  88          1HB       HIS  88  -0.932  -1.587   8.788
  690   2HB   HIS  88          2HB       HIS  88  -2.155  -2.239   9.859
  691    HD1  HIS  88           1HD      HIS  88   0.077  -2.769  11.383
  692    HD2  HIS  88           2HD      HIS  88  -0.578  -4.968   7.840
  693    HE1  HIS  88           1HE      HIS  88   1.580  -4.847  11.517
  694    HE2  HIS  88           2HE      HIS  88   1.218  -6.131   9.324
  695    H    ASN  89           H        ASN  89  -4.745  -2.040   8.310
  696    HA   ASN  89           HA       ASN  89  -5.729  -4.753   8.978
  697   1HB   ASN  89          1HB       ASN  89  -6.377  -2.013   9.925
  698   2HB   ASN  89          2HB       ASN  89  -7.662  -3.204   9.892
  699   1HD2  ASN  89          2HD2      ASN  89  -4.196  -3.624  10.536
  700   2HD2  ASN  89          1HD2      ASN  89  -4.391  -4.252  12.157
  701    H    LEU  90           H        LEU  90  -6.037  -2.039   6.826
  702    HA   LEU  90           HA       LEU  90  -8.567  -2.614   5.728
  703   1HB   LEU  90          1HB       LEU  90  -6.141  -1.163   4.844
  704   2HB   LEU  90          2HB       LEU  90  -7.370  -1.530   3.651
  705    HG   LEU  90           HG       LEU  90  -8.005  -0.141   6.228
  706   1HD1  LEU  90          1HD1      LEU  90  -6.310   1.193   5.047
  707   2HD1  LEU  90          2HD1      LEU  90  -7.297   1.105   3.548
  708   3HD1  LEU  90          3HD1      LEU  90  -7.919   1.994   4.982
  709   1HD2  LEU  90          1HD2      LEU  90  -9.427  -0.295   3.549
  710   2HD2  LEU  90          2HD2      LEU  90  -9.894  -1.177   5.044
  711   3HD2  LEU  90          3HD2      LEU  90 -10.000   0.617   4.988
  712    HA   PRO  91           HA       PRO  91  -6.395  -5.474   2.670
  713   1HB   PRO  91          1HB       PRO  91  -3.838  -6.316   3.197
  714   2HB   PRO  91          2HB       PRO  91  -4.250  -5.007   2.108
  715   1HG   PRO  91          1HG       PRO  91  -3.080  -4.880   4.788
  716   2HG   PRO  91          2HG       PRO  91  -3.111  -3.653   3.537
  717   1HD   PRO  91          1HD       PRO  91  -4.752  -3.815   5.839
  718   2HD   PRO  91          2HD       PRO  91  -4.836  -2.635   4.548
  719    H    ILE  92           H        ILE  92  -5.942  -5.753   6.093
  720    HA   ILE  92           HA       ILE  92  -5.900  -8.644   6.088
  721    HB   ILE  92           HB       ILE  92  -5.986  -6.470   8.077
  722   1HG1  ILE  92          1HG1      ILE  92  -4.169  -8.577   7.210
  723   2HG1  ILE  92          2HG1      ILE  92  -3.834  -6.957   7.787
  724   1HG2  ILE  92          1HG2      ILE  92  -7.758  -7.921   8.894
  725   2HG2  ILE  92          2HG2      ILE  92  -6.663  -9.341   8.759
  726   3HG2  ILE  92          3HG2      ILE  92  -6.308  -8.041   9.948
  727   1HD1  ILE  92          1HD1      ILE  92  -4.173  -7.691  10.108
  728   2HD1  ILE  92          2HD1      ILE  92  -4.516  -9.353   9.516
  729   3HD1  ILE  92          3HD1      ILE  92  -2.881  -8.638   9.292
  730    H    GLU  93           H        GLU  93  -8.322  -6.104   6.768
  731    HA   GLU  93           HA       GLU  93 -10.431  -7.885   7.420
  732   1HB   GLU  93          1HB       GLU  93 -10.204  -5.039   6.627
  733   2HB   GLU  93          2HB       GLU  93 -11.779  -5.789   6.455
  734   1HG   GLU  93          1HG       GLU  93 -10.732  -6.561   8.982
  735   2HG   GLU  93          2HG       GLU  93 -10.532  -4.827   8.833
  736    H    CYS  94           H        CYS  94  -8.965  -7.080   4.396
  737    HA   CYS  94           HA       CYS  94 -11.193  -8.170   2.867
  738   1HB   CYS  94          1HB       CYS  94  -8.644  -6.810   2.267
  739   2HB   CYS  94          2HB       CYS  94  -9.334  -7.851   1.038
  740    H    ASN  95           H        ASN  95  -8.507  -9.369   4.524
  741    HA   ASN  95           HA       ASN  95  -7.822 -11.527   4.829
  742   1HB   ASN  95          1HB       ASN  95 -10.135 -12.073   3.715
  743   2HB   ASN  95          2HB       ASN  95  -9.137 -12.480   2.334
  744   1HD2  ASN  95          2HD2      ASN  95  -6.986 -13.711   3.267
  745   2HD2  ASN  95          1HD2      ASN  95  -7.408 -15.115   4.221
  746    H    LEU  96           H        LEU  96  -6.670  -9.360   3.122
  747    HA   LEU  96           HA       LEU  96  -5.301 -10.763   0.993
  748   1HB   LEU  96          1HB       LEU  96  -4.731  -7.981   1.909
  749   2HB   LEU  96          2HB       LEU  96  -4.456  -8.688   0.330
  750    HG   LEU  96           HG       LEU  96  -7.198  -8.336   1.460
  751   1HD1  LEU  96          1HD1      LEU  96  -6.162  -6.156   1.490
  752   2HD1  LEU  96          2HD1      LEU  96  -5.647  -6.370  -0.219
  753   3HD1  LEU  96          3HD1      LEU  96  -7.395  -6.252   0.185
  754   1HD2  LEU  96          1HD2      LEU  96  -6.204  -8.632  -1.379
  755   2HD2  LEU  96          2HD2      LEU  96  -7.040  -9.889  -0.401
  756   3HD2  LEU  96          3HD2      LEU  96  -7.917  -8.396  -0.884
  757    H    MET  97           H        MET  97  -4.328  -8.952   3.915
  758    HA   MET  97           HA       MET  97  -2.019 -10.779   4.108
  759   1HB   MET  97          1HB       MET  97  -0.708  -8.988   4.950
  760   2HB   MET  97          2HB       MET  97  -1.472  -8.453   3.467
  761   1HG   MET  97          1HG       MET  97  -2.272  -6.705   4.593
  762   2HG   MET  97          2HG       MET  97  -3.283  -7.819   5.492
  763   1HE   MET  97          1HE       MET  97   0.618  -7.579   5.477
  764   2HE   MET  97          2HE       MET  97   0.079  -5.869   5.339
  765   3HE   MET  97          3HE       MET  97   0.913  -6.431   6.829
  766    H    SER  98           H        SER  98  -4.762 -10.976   5.298
  767    HA   SER  98           HA       SER  98  -5.117 -10.266   7.861
  768   1HB   SER  98          1HB       SER  98  -6.690 -11.681   6.754
  769   2HB   SER  98          2HB       SER  98  -5.548 -13.009   6.728
  770    HG   SER  98           HG       SER  98  -7.045 -13.175   8.465
  771    H    GLN  99           H        GLN  99  -3.686 -13.466   7.347
  772    HA   GLN  99           HA       GLN  99  -1.368 -12.743   8.934
  773   1HB   GLN  99          1HB       GLN  99  -3.631 -13.690  10.213
  774   2HB   GLN  99          2HB       GLN  99  -2.585 -15.091  10.104
  775   1HG   GLN  99          1HG       GLN  99  -1.199 -12.634  10.867
  776   2HG   GLN  99          2HG       GLN  99  -2.412 -13.148  12.022
  777   1HE2  GLN  99          2HE2      GLN  99   0.733 -13.204  11.671
  778   2HE2  GLN  99          1HE2      GLN  99   1.105 -14.778  12.337
  779    HA   PRO 100           HA       PRO 100  -0.971 -16.128   5.783
  780   1HB   PRO 100          1HB       PRO 100   0.417 -14.762   3.830
  781   2HB   PRO 100          2HB       PRO 100  -1.313 -15.039   3.815
  782   1HG   PRO 100          1HG       PRO 100   0.151 -12.561   4.360
  783   2HG   PRO 100          2HG       PRO 100  -1.541 -12.774   3.953
  784   1HD   PRO 100          1HD       PRO 100  -0.427 -12.273   6.518
  785   2HD   PRO 100          2HD       PRO 100  -2.109 -12.558   6.122
  786    H    CYS 101           H        CYS 101   1.590 -13.644   5.606
  787    HA   CYS 101           HA       CYS 101   3.637 -15.619   6.041
  788   1HB   CYS 101          1HB       CYS 101   4.141 -12.710   6.308
  789   2HB   CYS 101          2HB       CYS 101   5.135 -13.952   5.572
  790    H    GLN 102           H        GLN 102   4.290 -16.391   7.920
  791    HA   GLN 102           HA       GLN 102   3.872 -14.748  10.345
  792   1HB   GLN 102          1HB       GLN 102   3.528 -17.719  10.086
  793   2HB   GLN 102          2HB       GLN 102   3.421 -16.810  11.580
  794   1HG   GLN 102          1HG       GLN 102   1.615 -15.436  10.347
  795   2HG   GLN 102          2HG       GLN 102   1.563 -16.791   9.236
  796   1HE2  GLN 102          2HE2      GLN 102  -0.389 -17.695   9.712
  797   2HE2  GLN 102          1HE2      GLN 102  -0.830 -18.287  11.298
  798    H    MET 103           H        MET 103   5.178 -15.860  12.230
  799    HA   MET 103           HA       MET 103   7.955 -15.778  11.430
  800   1HB   MET 103          1HB       MET 103   6.456 -15.267  13.737
  801   2HB   MET 103          2HB       MET 103   7.531 -16.587  14.149
  802   1HG   MET 103          1HG       MET 103   8.505 -14.127  12.738
  803   2HG   MET 103          2HG       MET 103   8.418 -14.217  14.486
  804   1HE   MET 103          1HE       MET 103  10.273 -14.858  15.903
  805   2HE   MET 103          2HE       MET 103   9.451 -16.452  15.774
  806   3HE   MET 103          3HE       MET 103  11.240 -16.350  15.633
  Start of MODEL    2
    1    HA   PRO   1           HA       PRO   1   1.346  -3.651  11.059
    2   1HB   PRO   1          1HB       PRO   1   3.602  -3.671  12.585
    3   2HB   PRO   1          2HB       PRO   1   1.988  -4.002  13.180
    4   1HG   PRO   1          1HG       PRO   1   4.201  -5.894  12.686
    5   2HG   PRO   1          2HG       PRO   1   2.773  -6.110  13.678
    6   1HD   PRO   1          1HD       PRO   1   3.219  -7.063  11.051
    7   2HD   PRO   1          2HD       PRO   1   1.768  -7.224  12.020
    8    H    TYR   2           H        TYR   2   4.142  -5.436   9.921
    9    HA   TYR   2           HA       TYR   2   4.786  -3.384   7.986
   10   1HB   TYR   2          1HB       TYR   2   6.995  -2.907   8.800
   11   2HB   TYR   2          2HB       TYR   2   5.830  -2.528  10.052
   12    HD1  TYR   2           1HD      TYR   2   5.448  -4.283  11.913
   13    HD2  TYR   2           2HD      TYR   2   8.826  -4.334   9.233
   14    HE1  TYR   2           1HE      TYR   2   6.595  -5.861  13.433
   15    HE2  TYR   2           2HE      TYR   2  10.041  -5.817  10.799
   16    HH   TYR   2           HH       TYR   2   9.979  -6.874  12.781
   17    H    GLY   3           H        GLY   3   5.852  -6.300   9.699
   18   1HA   GLY   3          1HA       GLY   3   6.701  -8.305   9.010
   19   2HA   GLY   3          2HA       GLY   3   6.164  -7.939   7.382
   20    H    ARG   4           H        ARG   4   8.899  -8.505   9.269
   21    HA   ARG   4           HA       ARG   4  10.720  -6.760   7.821
   22   1HB   ARG   4          1HB       ARG   4  11.110  -7.718  10.102
   23   2HB   ARG   4          2HB       ARG   4  11.354  -9.274   9.336
   24   1HG   ARG   4          1HG       ARG   4  13.138  -8.139   7.916
   25   2HG   ARG   4          2HG       ARG   4  13.009  -6.779   9.014
   26   1HD   ARG   4          1HD       ARG   4  13.245  -9.198  10.515
   27   2HD   ARG   4          2HD       ARG   4  14.540  -9.113   9.338
   28    HE   ARG   4           HE       ARG   4  14.360  -6.599  10.588
   29   1HH1  ARG   4          1HH2      ARG   4  15.266  -9.867  11.441
   30   2HH1  ARG   4          2HH2      ARG   4  16.340  -9.326  12.711
   31   1HH2  ARG   4          1HH1      ARG   4  15.716  -5.982  12.208
   32   2HH2  ARG   4          2HH1      ARG   4  16.588  -7.182  13.135
   33    H    GLY   5           H        GLY   5  12.014  -7.208   6.091
   34   1HA   GLY   5          1HA       GLY   5  12.725  -9.663   5.039
   35   2HA   GLY   5          2HA       GLY   5  11.229  -9.241   4.231
   36    H    ARG   6           H        ARG   6  14.034  -9.435   3.215
   37    HA   ARG   6           HA       ARG   6  14.023  -6.912   1.746
   38   1HB   ARG   6          1HB       ARG   6  15.433  -6.565   3.856
   39   2HB   ARG   6          2HB       ARG   6  16.573  -7.684   3.137
   40   1HG   ARG   6          1HG       ARG   6  15.976  -5.968   1.051
   41   2HG   ARG   6          2HG       ARG   6  16.010  -4.900   2.440
   42   1HD   ARG   6          1HD       ARG   6  18.238  -6.806   2.264
   43   2HD   ARG   6          2HD       ARG   6  18.192  -5.588   1.006
   44    HE   ARG   6           HE       ARG   6  17.854  -4.519   3.688
   45   1HH1  ARG   6          1HH2      ARG   6  20.245  -5.398   1.290
   46   2HH1  ARG   6          2HH2      ARG   6  21.441  -4.314   1.964
   47   1HH2  ARG   6          1HH1      ARG   6  19.414  -3.152   4.477
   48   2HH2  ARG   6          2HH1      ARG   6  20.985  -3.081   3.712
   49    H    THR   7           H        THR   7  13.616  -8.052  -0.077
   50    HA   THR   7           HA       THR   7  15.756  -9.862  -1.018
   51    HB   THR   7           HB       THR   7  14.013 -11.319  -1.967
   52    HG1  THR   7           1HG      THR   7  11.872 -11.025  -1.200
   53   1HG2  THR   7          1HG2      THR   7  14.940 -11.955   0.236
   54   2HG2  THR   7          2HG2      THR   7  13.688 -10.941   1.036
   55   3HG2  THR   7          3HG2      THR   7  13.203 -12.397   0.098
   56    H    GLU   8           H        GLU   8  14.880 -10.380  -3.521
   57    HA   GLU   8           HA       GLU   8  15.335  -7.873  -4.850
   58   1HB   GLU   8          1HB       GLU   8  14.576 -10.502  -6.068
   59   2HB   GLU   8          2HB       GLU   8  15.389  -9.162  -6.850
   60   1HG   GLU   8          1HG       GLU   8  16.894 -10.028  -4.553
   61   2HG   GLU   8          2HG       GLU   8  16.579 -11.382  -5.620
   62    H    SER   9           H        SER   9  13.861  -7.709  -7.044
   63    HA   SER   9           HA       SER   9  11.239  -6.923  -6.164
   64   1HB   SER   9          1HB       SER   9  12.899  -6.637  -8.538
   65   2HB   SER   9          2HB       SER   9  11.196  -6.830  -8.901
   66    HG   SER   9           HG       SER   9  11.755  -4.636  -8.465
   67    H    GLY  10           H        GLY  10   9.360  -7.544  -7.799
   68   1HA   GLY  10          1HA       GLY  10   8.933  -9.718  -9.243
   69   2HA   GLY  10          2HA       GLY  10   9.092 -10.488  -7.678
   70    H    CYS  11           H        CYS  11   7.645  -9.957  -5.975
   71    HA   CYS  11           HA       CYS  11   4.975  -9.587  -6.798
   72   1HB   CYS  11          1HB       CYS  11   6.146  -9.160  -4.096
   73   2HB   CYS  11          2HB       CYS  11   4.439  -9.295  -4.465
   74    H    TYR  12           H        TYR  12   7.401  -7.295  -6.170
   75    HA   TYR  12           HA       TYR  12   5.801  -4.948  -5.809
   76   1HB   TYR  12          1HB       TYR  12   8.072  -5.126  -5.016
   77   2HB   TYR  12          2HB       TYR  12   8.647  -5.413  -6.646
   78    HD1  TYR  12           1HD      TYR  12   9.704  -3.645  -7.675
   79    HD2  TYR  12           2HD      TYR  12   6.413  -2.885  -4.997
   80    HE1  TYR  12           1HE      TYR  12  10.013  -1.211  -8.008
   81    HE2  TYR  12           2HE      TYR  12   6.851  -0.448  -5.127
   82    HH   TYR  12           HH       TYR  12   8.110   1.167  -6.144
   83    H    GLN  13           H        GLN  13   7.690  -6.196  -8.614
   84    HA   GLN  13           HA       GLN  13   6.907  -4.232 -10.450
   85   1HB   GLN  13          1HB       GLN  13   8.650  -5.681 -11.057
   86   2HB   GLN  13          2HB       GLN  13   7.659  -7.105 -10.808
   87   1HG   GLN  13          1HG       GLN  13   6.796  -5.138 -12.873
   88   2HG   GLN  13          2HG       GLN  13   8.156  -6.180 -13.241
   89   1HE2  GLN  13          2HE2      GLN  13   7.778  -8.585 -12.904
   90   2HE2  GLN  13          1HE2      GLN  13   6.186  -9.209 -13.273
   91    H    GLN  14           H        GLN  14   5.261  -7.324  -9.698
   92    HA   GLN  14           HA       GLN  14   3.124  -6.836 -11.567
   93   1HB   GLN  14          1HB       GLN  14   1.938  -8.611 -10.163
   94   2HB   GLN  14          2HB       GLN  14   3.412  -9.079 -10.988
   95   1HG   GLN  14          1HG       GLN  14   4.524  -9.426  -9.073
   96   2HG   GLN  14          2HG       GLN  14   3.841  -8.005  -8.307
   97   1HE2  GLN  14          2HE2      GLN  14   3.221  -8.725  -6.342
   98   2HE2  GLN  14          1HE2      GLN  14   2.112 -10.055  -6.090
   99    H    MET  15           H        MET  15   3.772  -5.661  -8.412
  100    HA   MET  15           HA       MET  15   1.110  -4.978  -7.616
  101   1HB   MET  15          1HB       MET  15   3.314  -5.144  -6.231
  102   2HB   MET  15          2HB       MET  15   3.473  -3.455  -6.674
  103   1HG   MET  15          1HG       MET  15   0.945  -3.357  -5.941
  104   2HG   MET  15          2HG       MET  15   1.385  -4.776  -5.010
  105   1HE   MET  15          1HE       MET  15   3.318  -4.908  -3.306
  106   2HE   MET  15          2HE       MET  15   4.445  -4.347  -4.591
  107   3HE   MET  15          3HE       MET  15   4.455  -3.555  -2.977
  108    H    GLU  16           H        GLU  16   3.807  -2.824  -8.619
  109    HA   GLU  16           HA       GLU  16   2.322  -0.496  -8.949
  110   1HB   GLU  16          1HB       GLU  16   4.106   0.082 -10.733
  111   2HB   GLU  16          2HB       GLU  16   4.600  -0.118  -9.064
  112   1HG   GLU  16          1HG       GLU  16   5.604  -2.144  -9.459
  113   2HG   GLU  16          2HG       GLU  16   4.666  -2.441 -10.908
  114    H    GLU  17           H        GLU  17   2.849  -3.114 -11.292
  115    HA   GLU  17           HA       GLU  17   1.496  -1.920 -13.483
  116   1HB   GLU  17          1HB       GLU  17   3.007  -4.040 -13.349
  117   2HB   GLU  17          2HB       GLU  17   1.502  -4.876 -13.017
  118   1HG   GLU  17          1HG       GLU  17   0.582  -3.724 -15.089
  119   2HG   GLU  17          2HG       GLU  17   2.237  -3.283 -15.456
  120    H    ALA  18           H        ALA  18   0.325  -3.393 -10.588
  121    HA   ALA  18           HA       ALA  18  -2.456  -3.173 -11.492
  122   1HB   ALA  18          1HB       ALA  18  -1.862  -5.521 -11.614
  123   2HB   ALA  18          2HB       ALA  18  -1.244  -5.473  -9.926
  124   3HB   ALA  18          3HB       ALA  18  -3.000  -5.256 -10.247
  125    H    GLU  19           H        GLU  19  -1.075  -1.141 -10.262
  126    HA   GLU  19           HA       GLU  19  -0.872  -0.656  -7.704
  127   1HB   GLU  19          1HB       GLU  19  -2.154   1.584  -8.237
  128   2HB   GLU  19          2HB       GLU  19  -0.529   1.240  -8.793
  129   1HG   GLU  19          1HG       GLU  19  -1.162   1.064 -10.962
  130   2HG   GLU  19          2HG       GLU  19  -2.749   0.436 -10.562
  131    H    MET  20           H        MET  20  -1.974  -1.989  -6.338
  132    HA   MET  20           HA       MET  20  -4.890  -2.001  -6.466
  133   1HB   MET  20          1HB       MET  20  -4.766  -3.857  -4.929
  134   2HB   MET  20          2HB       MET  20  -3.681  -4.110  -6.282
  135   1HG   MET  20          1HG       MET  20  -1.847  -3.218  -4.831
  136   2HG   MET  20          2HG       MET  20  -2.976  -3.292  -3.493
  137   1HE   MET  20          1HE       MET  20  -0.117  -4.586  -3.464
  138   2HE   MET  20          2HE       MET  20  -1.282  -4.665  -2.096
  139   3HE   MET  20          3HE       MET  20  -0.505  -6.169  -2.703
  140    H    LEU  21           H        LEU  21  -2.355  -1.401  -4.150
  141    HA   LEU  21           HA       LEU  21  -4.145  -0.003  -2.339
  142   1HB   LEU  21          1HB       LEU  21  -1.652  -1.463  -2.193
  143   2HB   LEU  21          2HB       LEU  21  -1.680  -0.012  -1.212
  144    HG   LEU  21           HG       LEU  21  -2.393  -2.113  -0.075
  145   1HD1  LEU  21          1HD1      LEU  21  -2.991   0.004   0.948
  146   2HD1  LEU  21          2HD1      LEU  21  -4.461   0.096  -0.083
  147   3HD1  LEU  21          3HD1      LEU  21  -4.313  -1.196   1.158
  148   1HD2  LEU  21          1HD2      LEU  21  -4.839  -1.855  -1.779
  149   2HD2  LEU  21          2HD2      LEU  21  -3.631  -3.188  -1.801
  150   3HD2  LEU  21          3HD2      LEU  21  -4.656  -2.927  -0.347
  151    H    ASN  22           H        ASN  22  -3.903   1.247  -4.744
  152    HA   ASN  22           HA       ASN  22  -2.191   3.594  -4.183
  153   1HB   ASN  22          1HB       ASN  22  -3.227   2.217  -6.581
  154   2HB   ASN  22          2HB       ASN  22  -3.066   3.958  -6.682
  155   1HD2  ASN  22          2HD2      ASN  22  -1.216   1.139  -5.432
  156   2HD2  ASN  22          1HD2      ASN  22   0.339   1.727  -5.974
  157    H    HIS  23           H        HIS  23  -5.436   2.498  -4.847
  158    HA   HIS  23           HA       HIS  23  -6.583   5.152  -4.779
  159   1HB   HIS  23          1HB       HIS  23  -7.963   2.496  -4.867
  160   2HB   HIS  23          2HB       HIS  23  -8.670   4.060  -5.219
  161    HD1  HIS  23           1HD      HIS  23  -8.914   4.475  -7.762
  162    HD2  HIS  23           2HD      HIS  23  -5.739   1.908  -6.704
  163    HE1  HIS  23           1HE      HIS  23  -7.819   3.726  -9.959
  164    HE2  HIS  23           2HE      HIS  23  -5.830   2.231  -9.310
  165    H    CYS  24           H        CYS  24  -6.929   2.152  -2.826
  166    HA   CYS  24           HA       CYS  24  -8.225   3.323  -0.633
  167   1HB   CYS  24          1HB       CYS  24  -6.547   0.939  -1.000
  168   2HB   CYS  24          2HB       CYS  24  -6.718   1.522   0.643
  169    H    GLY  25           H        GLY  25  -4.892   3.678  -1.610
  170   1HA   GLY  25          1HA       GLY  25  -3.872   4.777   0.775
  171   2HA   GLY  25          2HA       GLY  25  -3.286   5.076  -0.848
  172    H    MET  26           H        MET  26  -5.286   6.510  -2.073
  173    HA   MET  26           HA       MET  26  -4.956   9.118  -1.178
  174   1HB   MET  26          1HB       MET  26  -6.541   7.750  -3.101
  175   2HB   MET  26          2HB       MET  26  -7.520   8.970  -2.312
  176   1HG   MET  26          1HG       MET  26  -6.699  10.308  -3.903
  177   2HG   MET  26          2HG       MET  26  -5.293  10.385  -2.861
  178   1HE   MET  26          1HE       MET  26  -5.863  10.580  -6.237
  179   2HE   MET  26          2HE       MET  26  -4.367  11.188  -5.445
  180   3HE   MET  26          3HE       MET  26  -4.254  10.006  -6.796
  181    H    TYR  27           H        TYR  27  -7.572   6.886  -0.336
  182    HA   TYR  27           HA       TYR  27  -9.225   8.555   1.181
  183   1HB   TYR  27          1HB       TYR  27  -9.790   6.299   0.496
  184   2HB   TYR  27          2HB       TYR  27  -8.529   5.651   1.528
  185    HD1  TYR  27           1HD      TYR  27  -9.267   4.599   3.433
  186    HD2  TYR  27           2HD      TYR  27 -11.424   7.996   1.886
  187    HE1  TYR  27           1HE      TYR  27 -10.821   4.464   5.366
  188    HE2  TYR  27           2HE      TYR  27 -13.050   7.829   3.748
  189    HH   TYR  27           HH       TYR  27 -13.577   6.755   5.641
  190    H    LEU  28           H        LEU  28  -6.251   6.901   2.090
  191    HA   LEU  28           HA       LEU  28  -6.389   7.775   4.875
  192   1HB   LEU  28          1HB       LEU  28  -4.082   6.343   3.639
  193   2HB   LEU  28          2HB       LEU  28  -4.647   6.299   5.297
  194    HG   LEU  28           HG       LEU  28  -6.277   5.158   3.091
  195   1HD1  LEU  28          1HD1      LEU  28  -4.132   4.136   2.735
  196   2HD1  LEU  28          2HD1      LEU  28  -4.027   3.693   4.474
  197   3HD1  LEU  28          3HD1      LEU  28  -5.270   2.927   3.426
  198   1HD2  LEU  28          1HD2      LEU  28  -6.173   4.525   6.025
  199   2HD2  LEU  28          2HD2      LEU  28  -7.449   5.439   5.149
  200   3HD2  LEU  28          3HD2      LEU  28  -7.204   3.689   4.812
  201    H    MET  29           H        MET  29  -4.832   8.598   1.893
  202    HA   MET  29           HA       MET  29  -2.935  10.491   2.936
  203   1HB   MET  29          1HB       MET  29  -3.211   9.076   0.550
  204   2HB   MET  29          2HB       MET  29  -3.406  10.764   0.124
  205   1HG   MET  29          1HG       MET  29  -1.343  11.118   1.635
  206   2HG   MET  29          2HG       MET  29  -1.093   9.400   1.406
  207   1HE   MET  29          1HE       MET  29  -1.894  12.676  -0.540
  208   2HE   MET  29          2HE       MET  29  -0.353  12.826   0.373
  209   3HE   MET  29          3HE       MET  29  -0.339  12.854  -1.424
  210    H    LYS  30           H        LYS  30  -6.152  10.644   2.831
  211    HA   LYS  30           HA       LYS  30  -6.479  13.297   1.737
  212   1HB   LYS  30          1HB       LYS  30  -8.199  11.385   1.798
  213   2HB   LYS  30          2HB       LYS  30  -8.504  11.914   3.440
  214   1HG   LYS  30          1HG       LYS  30 -10.076  13.024   1.976
  215   2HG   LYS  30          2HG       LYS  30  -8.930  14.214   2.560
  216   1HD   LYS  30          1HD       LYS  30  -8.039  12.950   0.093
  217   2HD   LYS  30          2HD       LYS  30  -9.586  13.751  -0.096
  218   1HE   LYS  30          1HE       LYS  30  -8.664  15.799   0.042
  219   2HE   LYS  30          2HE       LYS  30  -7.650  15.343   1.395
  220   1HZ   LYS  30          1HZ       LYS  30  -6.136  14.334  -0.141
  221   2HZ   LYS  30          2HZ       LYS  30  -7.095  14.764  -1.420
  222   3HZ   LYS  30          3HZ       LYS  30  -6.357  15.933  -0.509
  223    H    ASN  31           H        ASN  31  -5.748  11.956   4.814
  224    HA   ASN  31           HA       ASN  31  -5.954  14.574   6.158
  225   1HB   ASN  31          1HB       ASN  31  -6.771  12.159   6.996
  226   2HB   ASN  31          2HB       ASN  31  -5.133  12.137   7.613
  227   1HD2  ASN  31          2HD2      ASN  31  -8.291  13.385   7.943
  228   2HD2  ASN  31          1HD2      ASN  31  -8.000  14.394   9.343
  229    H    LEU  32           H        LEU  32  -3.673  12.482   4.642
  230    HA   LEU  32           HA       LEU  32  -1.377  13.251   6.219
  231   1HB   LEU  32          1HB       LEU  32  -1.696  12.072   3.483
  232   2HB   LEU  32          2HB       LEU  32  -0.133  12.379   4.211
  233    HG   LEU  32           HG       LEU  32  -2.267  10.669   5.476
  234   1HD1  LEU  32          1HD1      LEU  32  -1.547   9.722   3.337
  235   2HD1  LEU  32          2HD1      LEU  32   0.170   9.893   3.845
  236   3HD1  LEU  32          3HD1      LEU  32  -0.914   8.748   4.710
  237   1HD2  LEU  32          1HD2      LEU  32   0.684  11.026   6.081
  238   2HD2  LEU  32          2HD2      LEU  32  -0.678  11.671   7.060
  239   3HD2  LEU  32          3HD2      LEU  32  -0.431   9.896   6.925
  240    H    GLY  33           H        GLY  33  -3.135  14.747   3.639
  241   1HA   GLY  33          1HA       GLY  33  -1.082  16.727   3.035
  242   2HA   GLY  33          2HA       GLY  33  -2.698  16.634   2.367
  243    H    GLU  34           H        GLU  34  -2.038  16.625   5.830
  244    HA   GLU  34           HA       GLU  34  -3.298  19.289   6.074
  245   1HB   GLU  34          1HB       GLU  34  -4.587  17.303   6.974
  246   2HB   GLU  34          2HB       GLU  34  -3.320  17.148   8.174
  247   1HG   GLU  34          1HG       GLU  34  -4.687  18.555   9.357
  248   2HG   GLU  34          2HG       GLU  34  -3.836  19.776   8.432
  249    H    ARG  35           H        ARG  35  -1.689  20.682   6.268
  250    HA   ARG  35           HA       ARG  35  -0.175  20.793   8.663
  251   1HB   ARG  35          1HB       ARG  35   1.000  19.068   6.946
  252   2HB   ARG  35          2HB       ARG  35   1.812  20.563   6.526
  253   1HG   ARG  35          1HG       ARG  35   1.616  20.271   9.396
  254   2HG   ARG  35          2HG       ARG  35   2.411  18.883   8.680
  255   1HD   ARG  35          1HD       ARG  35   3.781  20.633   7.366
  256   2HD   ARG  35          2HD       ARG  35   3.217  21.760   8.583
  257    HE   ARG  35           HE       ARG  35   4.355  19.341   9.699
  258   1HH1  ARG  35          1HH2      ARG  35   5.150  22.559   8.596
  259   2HH1  ARG  35          2HH2      ARG  35   6.650  22.586   9.495
  260   1HH2  ARG  35          1HH1      ARG  35   6.265  19.417  10.781
  261   2HH2  ARG  35          2HH1      ARG  35   7.266  20.848  10.703
  262    H    SER  36           H        SER  36  -1.894  22.494   7.153
  263    HA   SER  36           HA       SER  36  -0.303  24.902   7.130
  264   1HB   SER  36          1HB       SER  36   0.015  23.724   4.840
  265   2HB   SER  36          2HB       SER  36  -1.622  24.261   4.521
  266    HG   SER  36           HG       SER  36  -0.046  25.818   3.867
  267    H    GLN  37           H        GLN  37  -1.932  26.631   5.867
  268    HA   GLN  37           HA       GLN  37  -4.402  26.503   7.433
  269   1HB   GLN  37          1HB       GLN  37  -2.601  28.585   6.656
  270   2HB   GLN  37          2HB       GLN  37  -4.221  28.971   6.114
  271   1HG   GLN  37          1HG       GLN  37  -4.778  28.081   8.590
  272   2HG   GLN  37          2HG       GLN  37  -3.164  28.705   8.862
  273   1HE2  GLN  37          2HE2      GLN  37  -6.187  29.555   9.362
  274   2HE2  GLN  37          1HE2      GLN  37  -6.145  31.264   8.993
  275    H    VAL  38           H        VAL  38  -5.143  24.744   5.977
  276    HA   VAL  38           HA       VAL  38  -6.708  25.953   3.803
  277    HB   VAL  38           HB       VAL  38  -6.164  24.248   2.215
  278   1HG1  VAL  38          1HG1      VAL  38  -4.740  26.241   2.159
  279   2HG1  VAL  38          2HG1      VAL  38  -3.628  25.481   3.351
  280   3HG1  VAL  38          3HG1      VAL  38  -3.801  24.778   1.705
  281   1HG2  VAL  38          1HG2      VAL  38  -4.230  23.129   4.262
  282   2HG2  VAL  38          2HG2      VAL  38  -5.743  22.345   3.688
  283   3HG2  VAL  38          3HG2      VAL  38  -4.372  22.595   2.552
  284    H    SER  39           H        SER  39  -8.295  24.152   2.894
  285    HA   SER  39           HA       SER  39  -9.308  22.666   5.258
  286   1HB   SER  39          1HB       SER  39 -10.585  24.719   4.111
  287   2HB   SER  39          2HB       SER  39 -11.206  23.403   3.135
  288    HG   SER  39           HG       SER  39 -12.472  23.768   5.019
  289    HA   PRO  40           HA       PRO  40  -9.027  19.056   2.755
  290   1HB   PRO  40          1HB       PRO  40 -10.854  17.428   3.988
  291   2HB   PRO  40          2HB       PRO  40  -9.211  17.687   4.537
  292   1HG   PRO  40          1HG       PRO  40 -11.728  18.729   5.673
  293   2HG   PRO  40          2HG       PRO  40 -10.156  18.582   6.434
  294   1HD   PRO  40          1HD       PRO  40 -11.327  20.927   5.376
  295   2HD   PRO  40          2HD       PRO  40  -9.701  20.747   6.004
  296    H    ARG  41           H        ARG  41  -9.833  20.096   0.829
  297    HA   ARG  41           HA       ARG  41 -12.271  18.941  -0.146
  298   1HB   ARG  41          1HB       ARG  41 -12.902  21.084   1.220
  299   2HB   ARG  41          2HB       ARG  41 -12.344  21.921  -0.214
  300   1HG   ARG  41          1HG       ARG  41 -14.434  21.545  -1.021
  301   2HG   ARG  41          2HG       ARG  41 -13.876  19.904  -1.285
  302   1HD   ARG  41          1HD       ARG  41 -14.591  19.943   1.389
  303   2HD   ARG  41          2HD       ARG  41 -15.828  20.910   0.612
  304    HE   ARG  41           HE       ARG  41 -15.310  18.397  -0.736
  305   1HH1  ARG  41          1HH2      ARG  41 -17.224  19.924   1.751
  306   2HH1  ARG  41          2HH2      ARG  41 -18.433  18.660   1.726
  307   1HH2  ARG  41          1HH1      ARG  41 -16.863  16.798  -0.695
  308   2HH2  ARG  41          2HH1      ARG  41 -18.234  16.943   0.382
  309    H    MET  42           H        MET  42 -10.793  18.059  -1.641
  310    HA   MET  42           HA       MET  42 -10.144  19.958  -3.804
  311   1HB   MET  42          1HB       MET  42  -8.085  17.955  -3.022
  312   2HB   MET  42          2HB       MET  42  -7.899  19.436  -3.940
  313   1HG   MET  42          1HG       MET  42  -8.521  20.607  -1.724
  314   2HG   MET  42          2HG       MET  42  -8.112  19.071  -0.986
  315   1HE   MET  42          1HE       MET  42  -6.925  21.947  -3.291
  316   2HE   MET  42          2HE       MET  42  -7.072  22.424  -1.564
  317   3HE   MET  42          3HE       MET  42  -5.461  22.422  -2.362
  318    H    ARG  43           H        ARG  43  -9.824  18.962  -5.879
  319    HA   ARG  43           HA       ARG  43 -11.540  16.858  -6.544
  320   1HB   ARG  43          1HB       ARG  43  -9.583  18.411  -7.899
  321   2HB   ARG  43          2HB       ARG  43  -9.282  16.728  -8.279
  322   1HG   ARG  43          1HG       ARG  43 -10.837  17.230  -9.902
  323   2HG   ARG  43          2HG       ARG  43 -11.902  16.687  -8.622
  324   1HD   ARG  43          1HD       ARG  43 -12.934  18.670  -8.999
  325   2HD   ARG  43          2HD       ARG  43 -11.664  19.292  -7.965
  326    HE   ARG  43           HE       ARG  43 -10.476  19.454 -10.372
  327   1HH1  ARG  43          1HH2      ARG  43 -13.634  20.548  -9.361
  328   2HH1  ARG  43          2HH2      ARG  43 -13.681  21.805 -10.576
  329   1HH2  ARG  43          1HH1      ARG  43 -10.613  21.047 -11.911
  330   2HH2  ARG  43          2HH1      ARG  43 -12.024  22.080 -11.975
  331    H    GLU  44           H        GLU  44 -11.350  14.709  -6.862
  332    HA   GLU  44           HA       GLU  44  -9.003  13.160  -6.664
  333   1HB   GLU  44          1HB       GLU  44  -9.413  12.039  -4.512
  334   2HB   GLU  44          2HB       GLU  44  -8.978  13.725  -4.317
  335   1HG   GLU  44          1HG       GLU  44 -11.100  14.328  -3.596
  336   2HG   GLU  44          2HG       GLU  44 -11.861  12.941  -4.349
  337    H    GLU  45           H        GLU  45  -9.429  10.950  -7.081
  338    HA   GLU  45           HA       GLU  45 -11.936  10.342  -8.319
  339   1HB   GLU  45          1HB       GLU  45  -9.359   9.154  -8.030
  340   2HB   GLU  45          2HB       GLU  45 -10.606   7.955  -7.755
  341   1HG   GLU  45          1HG       GLU  45 -11.524   9.171 -10.011
  342   2HG   GLU  45          2HG       GLU  45  -9.789   9.261 -10.243
  343    H    ASP  46           H        ASP  46 -12.694   7.845  -7.579
  344    HA   ASP  46           HA       ASP  46 -13.726   8.195  -4.826
  345   1HB   ASP  46          1HB       ASP  46 -15.458   8.497  -6.516
  346   2HB   ASP  46          2HB       ASP  46 -15.062   6.937  -7.210
  347    H    HIS  47           H        HIS  47 -12.511   6.913  -3.557
  348    HA   HIS  47           HA       HIS  47 -11.969   4.147  -4.536
  349   1HB   HIS  47          1HB       HIS  47 -10.572   5.382  -2.211
  350   2HB   HIS  47          2HB       HIS  47 -10.030   4.094  -3.268
  351    HD1  HIS  47           1HD      HIS  47 -10.518   5.691  -6.068
  352    HD2  HIS  47           2HD      HIS  47  -8.788   7.193  -2.524
  353    HE1  HIS  47           1HE      HIS  47  -8.769   7.448  -6.793
  354    HE2  HIS  47           2HE      HIS  47  -7.846   8.451  -4.630
  355    H    LYS  48           H        LYS  48 -11.941   2.515  -2.757
  356    HA   LYS  48           HA       LYS  48 -13.191   2.680  -0.315
  357   1HB   LYS  48          1HB       LYS  48 -15.146   2.978  -2.427
  358   2HB   LYS  48          2HB       LYS  48 -15.481   1.561  -1.452
  359   1HG   LYS  48          1HG       LYS  48 -15.478   2.874   0.573
  360   2HG   LYS  48          2HG       LYS  48 -14.913   4.290  -0.290
  361   1HD   LYS  48          1HD       LYS  48 -17.018   4.873  -0.798
  362   2HD   LYS  48          2HD       LYS  48 -17.315   3.305  -1.521
  363   1HE   LYS  48          1HE       LYS  48 -17.307   3.612   1.456
  364   2HE   LYS  48          2HE       LYS  48 -18.735   4.031   0.533
  365   1HZ   LYS  48          1HZ       LYS  48 -18.740   1.825  -0.373
  366   2HZ   LYS  48          2HZ       LYS  48 -17.390   1.428   0.499
  367   3HZ   LYS  48          3HZ       LYS  48 -18.809   1.770   1.280
  368    H    GLN  49           H        GLN  49 -13.829   0.693  -3.159
  369    HA   GLN  49           HA       GLN  49 -12.521  -1.587  -1.817
  370   1HB   GLN  49          1HB       GLN  49 -15.236  -1.385  -2.544
  371   2HB   GLN  49          2HB       GLN  49 -14.486  -2.558  -3.609
  372   1HG   GLN  49          1HG       GLN  49 -13.428  -3.245  -1.185
  373   2HG   GLN  49          2HG       GLN  49 -15.035  -2.714  -0.733
  374   1HE2  GLN  49          2HE2      GLN  49 -15.165  -5.018  -0.013
  375   2HE2  GLN  49          1HE2      GLN  49 -15.651  -6.210  -1.199
  376    H    LEU  50           H        LEU  50 -12.200   0.527  -4.284
  377    HA   LEU  50           HA       LEU  50 -11.446  -1.098  -6.478
  378   1HB   LEU  50          1HB       LEU  50 -10.936   1.671  -5.549
  379   2HB   LEU  50          2HB       LEU  50  -9.943   1.040  -6.847
  380    HG   LEU  50           HG       LEU  50 -12.947   0.930  -6.941
  381   1HD1  LEU  50          1HD1      LEU  50 -12.297   3.280  -6.664
  382   2HD1  LEU  50          2HD1      LEU  50 -11.129   3.107  -8.021
  383   3HD1  LEU  50          3HD1      LEU  50 -12.896   2.967  -8.331
  384   1HD2  LEU  50          1HD2      LEU  50 -10.817   0.835  -9.104
  385   2HD2  LEU  50          2HD2      LEU  50 -11.750  -0.569  -8.481
  386   3HD2  LEU  50          3HD2      LEU  50 -12.592   0.744  -9.375
  387    H    CYS  51           H        CYS  51  -9.870  -0.504  -3.437
  388    HA   CYS  51           HA       CYS  51  -7.341  -1.553  -4.361
  389   1HB   CYS  51          1HB       CYS  51  -6.608  -1.352  -2.145
  390   2HB   CYS  51          2HB       CYS  51  -7.516   0.082  -2.577
  391    H    CYS  52           H        CYS  52  -9.950  -2.829  -2.255
  392    HA   CYS  52           HA       CYS  52  -8.922  -5.417  -1.927
  393   1HB   CYS  52          1HB       CYS  52 -10.948  -4.238  -0.842
  394   2HB   CYS  52          2HB       CYS  52 -11.847  -4.939  -2.173
  395    H    MET  53           H        MET  53 -10.303  -3.970  -4.742
  396    HA   MET  53           HA       MET  53 -10.941  -6.305  -6.225
  397   1HB   MET  53          1HB       MET  53 -11.810  -4.139  -6.825
  398   2HB   MET  53          2HB       MET  53 -10.190  -3.512  -7.055
  399   1HG   MET  53          1HG       MET  53 -10.383  -5.839  -8.639
  400   2HG   MET  53          2HG       MET  53 -11.851  -4.925  -8.919
  401   1HE   MET  53          1HE       MET  53  -8.711  -5.701 -10.446
  402   2HE   MET  53          2HE       MET  53 -10.209  -5.437 -11.405
  403   3HE   MET  53          3HE       MET  53  -8.758  -4.418 -11.705
  404    H    GLN  54           H        GLN  54  -8.255  -4.080  -7.084
  405    HA   GLN  54           HA       GLN  54  -6.844  -6.003  -8.564
  406   1HB   GLN  54          1HB       GLN  54  -6.138  -3.405  -7.341
  407   2HB   GLN  54          2HB       GLN  54  -4.850  -4.418  -7.962
  408   1HG   GLN  54          1HG       GLN  54  -7.216  -3.536  -9.575
  409   2HG   GLN  54          2HG       GLN  54  -5.676  -2.701  -9.549
  410   1HE2  GLN  54          2HE2      GLN  54  -6.362  -3.401 -11.994
  411   2HE2  GLN  54          1HE2      GLN  54  -5.557  -4.857 -12.534
  412    H    LEU  55           H        LEU  55  -6.781  -5.364  -5.117
  413    HA   LEU  55           HA       LEU  55  -4.510  -6.822  -4.391
  414   1HB   LEU  55          1HB       LEU  55  -7.092  -6.126  -3.164
  415   2HB   LEU  55          2HB       LEU  55  -6.177  -7.413  -2.405
  416    HG   LEU  55           HG       LEU  55  -4.734  -4.921  -3.045
  417   1HD1  LEU  55          1HD1      LEU  55  -6.807  -3.990  -2.196
  418   2HD1  LEU  55          2HD1      LEU  55  -6.715  -5.067  -0.759
  419   3HD1  LEU  55          3HD1      LEU  55  -5.490  -3.772  -0.992
  420   1HD2  LEU  55          1HD2      LEU  55  -4.641  -6.769  -0.641
  421   2HD2  LEU  55          2HD2      LEU  55  -3.495  -6.757  -2.026
  422   3HD2  LEU  55          3HD2      LEU  55  -3.571  -5.350  -0.909
  423    H    LYS  56           H        LYS  56  -7.779  -8.045  -5.218
  424    HA   LYS  56           HA       LYS  56  -7.020 -10.804  -4.835
  425   1HB   LYS  56          1HB       LYS  56  -9.304 -10.115  -4.603
  426   2HB   LYS  56          2HB       LYS  56  -9.332  -9.525  -6.253
  427   1HG   LYS  56          1HG       LYS  56  -9.847 -11.556  -7.043
  428   2HG   LYS  56          2HG       LYS  56  -8.519 -12.295  -6.169
  429   1HD   LYS  56          1HD       LYS  56  -9.893 -12.393  -4.151
  430   2HD   LYS  56          2HD       LYS  56 -11.218 -11.633  -5.009
  431   1HE   LYS  56          1HE       LYS  56 -10.581 -13.666  -6.711
  432   2HE   LYS  56          2HE       LYS  56 -10.231 -14.402  -5.160
  433   1HZ   LYS  56          1HZ       LYS  56 -12.423 -13.812  -4.441
  434   2HZ   LYS  56          2HZ       LYS  56 -12.754 -13.117  -5.907
  435   3HZ   LYS  56          3HZ       LYS  56 -12.495 -14.750  -5.804
  436    H    ASN  57           H        ASN  57  -6.765  -8.569  -7.549
  437    HA   ASN  57           HA       ASN  57  -6.240 -10.568  -9.557
  438   1HB   ASN  57          1HB       ASN  57  -5.879  -7.651  -9.277
  439   2HB   ASN  57          2HB       ASN  57  -4.935  -8.470 -10.504
  440   1HD2  ASN  57          2HD2      ASN  57  -6.269  -6.759 -11.650
  441   2HD2  ASN  57          1HD2      ASN  57  -7.774  -7.324 -12.338
  442    H    LEU  58           H        LEU  58  -4.279  -8.955  -7.129
  443    HA   LEU  58           HA       LEU  58  -1.764  -9.704  -8.202
  444   1HB   LEU  58          1HB       LEU  58  -2.796  -8.376  -5.862
  445   2HB   LEU  58          2HB       LEU  58  -1.453  -9.427  -5.463
  446    HG   LEU  58           HG       LEU  58  -1.465  -7.008  -7.231
  447   1HD1  LEU  58          1HD1      LEU  58  -0.870  -6.730  -4.815
  448   2HD1  LEU  58          2HD1      LEU  58   0.407  -7.979  -5.019
  449   3HD1  LEU  58          3HD1      LEU  58   0.536  -6.412  -5.890
  450   1HD2  LEU  58          1HD2      LEU  58   0.696  -9.125  -7.061
  451   2HD2  LEU  58          2HD2      LEU  58  -0.336  -8.806  -8.499
  452   3HD2  LEU  58          3HD2      LEU  58   0.817  -7.552  -7.924
  453    H    ASP  59           H        ASP  59  -0.274 -11.018  -6.470
  454    HA   ASP  59           HA       ASP  59  -1.310 -13.746  -6.619
  455   1HB   ASP  59          1HB       ASP  59   1.248 -12.422  -6.329
  456   2HB   ASP  59          2HB       ASP  59   1.075 -13.742  -5.189
  457    H    GLU  60           H        GLU  60  -2.439 -14.737  -4.998
  458    HA   GLU  60           HA       GLU  60  -2.982 -13.585  -2.496
  459   1HB   GLU  60          1HB       GLU  60  -3.732 -15.872  -3.856
  460   2HB   GLU  60          2HB       GLU  60  -3.035 -16.448  -2.355
  461   1HG   GLU  60          1HG       GLU  60  -4.599 -15.291  -1.046
  462   2HG   GLU  60          2HG       GLU  60  -5.046 -14.225  -2.363
  463    H    LYS  61           H        LYS  61  -0.151 -15.229  -3.503
  464    HA   LYS  61           HA       LYS  61   0.922 -15.539  -0.791
  465   1HB   LYS  61          1HB       LYS  61   1.475 -16.685  -3.432
  466   2HB   LYS  61          2HB       LYS  61   2.877 -16.415  -2.416
  467   1HG   LYS  61          1HG       LYS  61   1.844 -17.660  -0.600
  468   2HG   LYS  61          2HG       LYS  61   0.375 -17.855  -1.534
  469   1HD   LYS  61          1HD       LYS  61   2.503 -18.800  -3.136
  470   2HD   LYS  61          2HD       LYS  61   2.719 -19.488  -1.540
  471   1HE   LYS  61          1HE       LYS  61   1.269 -21.051  -2.307
  472   2HE   LYS  61          2HE       LYS  61   0.066 -19.859  -1.858
  473   1HZ   LYS  61          1HZ       LYS  61   0.086 -19.063  -4.106
  474   2HZ   LYS  61          2HZ       LYS  61   1.224 -20.189  -4.531
  475   3HZ   LYS  61          3HZ       LYS  61  -0.290 -20.674  -4.068
  476    H    CYS  62           H        CYS  62   0.698 -13.076  -2.927
  477    HA   CYS  62           HA       CYS  62   3.199 -11.797  -1.994
  478   1HB   CYS  62          1HB       CYS  62   1.455 -11.355  -4.374
  479   2HB   CYS  62          2HB       CYS  62   2.682 -10.210  -3.872
  480    H    MET  63           H        MET  63   0.048 -12.046  -1.112
  481    HA   MET  63           HA       MET  63  -0.565  -9.234  -0.649
  482   1HB   MET  63          1HB       MET  63  -1.941 -11.766   0.174
  483   2HB   MET  63          2HB       MET  63  -2.590 -10.149   0.364
  484   1HG   MET  63          1HG       MET  63  -1.764 -10.952  -2.339
  485   2HG   MET  63          2HG       MET  63  -3.199 -11.712  -1.680
  486   1HE   MET  63          1HE       MET  63  -1.392  -8.341  -2.344
  487   2HE   MET  63          2HE       MET  63  -1.992  -9.135  -3.842
  488   3HE   MET  63          3HE       MET  63  -2.699  -7.571  -3.309
  489    H    CYS  64           H        CYS  64   1.289  -8.759   0.694
  490    HA   CYS  64           HA       CYS  64   1.147  -8.455   3.335
  491   1HB   CYS  64          1HB       CYS  64   0.937 -10.498   4.250
  492   2HB   CYS  64          2HB       CYS  64   1.711 -11.305   2.901
  493    HA   PRO  65           HA       PRO  65   5.748  -8.550   2.362
  494   1HB   PRO  65          1HB       PRO  65   6.660  -9.864   0.141
  495   2HB   PRO  65          2HB       PRO  65   6.604 -10.564   1.746
  496   1HG   PRO  65          1HG       PRO  65   4.875 -11.128  -0.582
  497   2HG   PRO  65          2HG       PRO  65   5.166 -12.113   0.838
  498   1HD   PRO  65          1HD       PRO  65   2.924 -10.471   0.331
  499   2HD   PRO  65          2HD       PRO  65   3.287 -11.339   1.809
  500    H    ALA  66           H        ALA  66   3.713  -8.641  -0.561
  501    HA   ALA  66           HA       ALA  66   5.153  -6.603  -1.929
  502   1HB   ALA  66          1HB       ALA  66   3.703  -8.148  -3.129
  503   2HB   ALA  66          2HB       ALA  66   2.278  -7.516  -2.235
  504   3HB   ALA  66          3HB       ALA  66   3.160  -6.453  -3.386
  505    H    ILE  67           H        ILE  67   2.105  -6.443  -0.019
  506    HA   ILE  67           HA       ILE  67   1.491  -3.820  -0.058
  507    HB   ILE  67           HB       ILE  67   1.640  -5.587   2.329
  508   1HG1  ILE  67          1HG1      ILE  67  -0.283  -5.001   0.209
  509   2HG1  ILE  67          2HG1      ILE  67  -0.036  -6.466   1.139
  510   1HG2  ILE  67          1HG2      ILE  67   1.873  -3.322   3.243
  511   2HG2  ILE  67          2HG2      ILE  67   0.443  -2.786   2.295
  512   3HG2  ILE  67          3HG2      ILE  67   0.245  -3.985   3.620
  513   1HD1  ILE  67          1HD1      ILE  67  -1.292  -5.512   3.018
  514   2HD1  ILE  67          2HD1      ILE  67  -1.546  -4.009   2.064
  515   3HD1  ILE  67          3HD1      ILE  67  -2.275  -5.557   1.513
  516    H    MET  68           H        MET  68   4.096  -5.054   2.099
  517    HA   MET  68           HA       MET  68   5.011  -2.672   3.122
  518   1HB   MET  68          1HB       MET  68   6.132  -4.550   3.835
  519   2HB   MET  68          2HB       MET  68   6.398  -5.138   2.206
  520   1HG   MET  68          1HG       MET  68   8.272  -3.906   1.916
  521   2HG   MET  68          2HG       MET  68   7.663  -2.563   2.862
  522   1HE   MET  68          1HE       MET  68   8.553  -1.832   4.921
  523   2HE   MET  68          2HE       MET  68   7.247  -2.898   5.547
  524   3HE   MET  68          3HE       MET  68   8.877  -2.932   6.306
  525    H    MET  69           H        MET  69   6.302  -4.010   0.080
  526    HA   MET  69           HA       MET  69   7.675  -1.742  -0.788
  527   1HB   MET  69          1HB       MET  69   6.513  -4.098  -2.209
  528   2HB   MET  69          2HB       MET  69   7.372  -2.836  -3.069
  529   1HG   MET  69          1HG       MET  69   8.492  -4.456  -0.813
  530   2HG   MET  69          2HG       MET  69   8.791  -4.752  -2.515
  531   1HE   MET  69          1HE       MET  69  10.047  -3.264   0.619
  532   2HE   MET  69          2HE       MET  69  11.058  -4.418  -0.320
  533   3HE   MET  69          3HE       MET  69  11.642  -2.743  -0.027
  534    H    MET  70           H        MET  70   4.235  -2.480  -1.061
  535    HA   MET  70           HA       MET  70   3.510  -0.709  -3.108
  536   1HB   MET  70          1HB       MET  70   1.451  -1.316  -2.533
  537   2HB   MET  70          2HB       MET  70   2.212  -2.350  -1.341
  538   1HG   MET  70          1HG       MET  70   2.076  -0.352   0.220
  539   2HG   MET  70          2HG       MET  70   0.977   0.339  -0.956
  540   1HE   MET  70          1HE       MET  70   0.162   0.297   1.884
  541   2HE   MET  70          2HE       MET  70  -0.906   0.776   0.519
  542   3HE   MET  70          3HE       MET  70  -1.499  -0.378   1.763
  543    H    LEU  71           H        LEU  71   4.164  -0.145   0.304
  544    HA   LEU  71           HA       LEU  71   3.685   2.711   0.008
  545   1HB   LEU  71          1HB       LEU  71   4.298   1.075   2.431
  546   2HB   LEU  71          2HB       LEU  71   4.055   2.811   2.431
  547    HG   LEU  71           HG       LEU  71   2.044   0.691   1.788
  548   1HD1  LEU  71          1HD1      LEU  71   2.470   1.000   4.164
  549   2HD1  LEU  71          2HD1      LEU  71   2.202   2.769   3.984
  550   3HD1  LEU  71          3HD1      LEU  71   0.841   1.623   3.728
  551   1HD2  LEU  71          1HD2      LEU  71   1.678   3.700   1.636
  552   2HD2  LEU  71          2HD2      LEU  71   1.676   2.563   0.243
  553   3HD2  LEU  71          3HD2      LEU  71   0.374   2.473   1.479
  554    H    ASN  72           H        ASN  72   6.071   0.924  -0.977
  555    HA   ASN  72           HA       ASN  72   8.173   2.836  -0.156
  556   1HB   ASN  72          1HB       ASN  72   8.271   0.090  -1.352
  557   2HB   ASN  72          2HB       ASN  72   9.680   1.118  -1.173
  558   1HD2  ASN  72          2HD2      ASN  72  10.744  -0.217   0.148
  559   2HD2  ASN  72          1HD2      ASN  72  10.279  -0.509   1.810
  560    H    GLU  73           H        GLU  73   5.941   2.315  -2.601
  561    HA   GLU  73           HA       GLU  73   7.494   2.817  -4.915
  562   1HB   GLU  73          1HB       GLU  73   4.770   2.357  -4.233
  563   2HB   GLU  73          2HB       GLU  73   4.851   3.762  -5.277
  564   1HG   GLU  73          1HG       GLU  73   6.577   2.071  -6.539
  565   2HG   GLU  73          2HG       GLU  73   5.414   0.937  -5.884
  566    HA   PRO  74           HA       PRO  74   7.937   7.226  -5.014
  567   1HB   PRO  74          1HB       PRO  74   7.119   7.982  -7.512
  568   2HB   PRO  74          2HB       PRO  74   8.670   7.259  -7.134
  569   1HG   PRO  74          1HG       PRO  74   6.335   6.044  -8.469
  570   2HG   PRO  74          2HG       PRO  74   8.012   5.535  -8.505
  571   1HD   PRO  74          1HD       PRO  74   5.922   4.439  -6.953
  572   2HD   PRO  74          2HD       PRO  74   7.622   4.019  -6.895
  573    H    MET  75           H        MET  75   5.488   6.341  -3.805
  574    HA   MET  75           HA       MET  75   3.990   8.821  -3.866
  575   1HB   MET  75          1HB       MET  75   3.113   7.225  -5.692
  576   2HB   MET  75          2HB       MET  75   2.436   6.321  -4.354
  577   1HG   MET  75          1HG       MET  75   0.699   7.747  -4.929
  578   2HG   MET  75          2HG       MET  75   1.469   8.589  -3.599
  579   1HE   MET  75          1HE       MET  75   1.325  11.083  -3.710
  580   2HE   MET  75          2HE       MET  75   3.079  10.726  -3.883
  581   3HE   MET  75          3HE       MET  75   2.308  11.974  -4.922
  582    H    TRP  76           H        TRP  76   5.602   6.973  -1.971
  583    HA   TRP  76           HA       TRP  76   3.808   7.227   0.297
  584   1HB   TRP  76          1HB       TRP  76   4.718   4.536  -0.659
  585   2HB   TRP  76          2HB       TRP  76   3.938   4.847   0.880
  586    HD1  TRP  76           HD       TRP  76   3.169   3.819  -2.558
  587    HE1  TRP  76           1HE      TRP  76   0.630   3.840  -3.005
  588    HE3  TRP  76           3HE      TRP  76   1.723   6.708   1.387
  589    HZ2  TRP  76           2HZ      TRP  76  -1.679   5.262  -1.964
  590    HZ3  TRP  76           3HZ      TRP  76  -0.597   7.532   1.537
  591    HH2  TRP  76           HH       TRP  76  -2.303   6.831  -0.120
  592    H    ILE  77           H        ILE  77   5.425   8.690   0.959
  593    HA   ILE  77           HA       ILE  77   8.016   7.396   1.539
  594    HB   ILE  77           HB       ILE  77   7.694  10.329   1.248
  595   1HG1  ILE  77          1HG1      ILE  77   7.091   9.612  -0.889
  596   2HG1  ILE  77          2HG1      ILE  77   8.790  10.029  -0.990
  597   1HG2  ILE  77          1HG2      ILE  77   9.688   9.636   2.487
  598   2HG2  ILE  77          2HG2      ILE  77  10.133   8.511   1.156
  599   3HG2  ILE  77          3HG2      ILE  77  10.151  10.287   0.876
  600   1HD1  ILE  77          1HD1      ILE  77   9.407   7.636  -0.897
  601   2HD1  ILE  77          2HD1      ILE  77   7.663   7.209  -0.794
  602   3HD1  ILE  77          3HD1      ILE  77   8.311   7.987  -2.279
  603    H    ARG  78           H        ARG  78   7.977  10.318   3.103
  604    HA   ARG  78           HA       ARG  78   7.648   9.036   5.678
  605   1HB   ARG  78          1HB       ARG  78   7.969  11.944   5.069
  606   2HB   ARG  78          2HB       ARG  78   8.306  11.129   6.583
  607   1HG   ARG  78          1HG       ARG  78   9.773  10.583   4.005
  608   2HG   ARG  78          2HG       ARG  78  10.351  11.663   5.256
  609   1HD   ARG  78          1HD       ARG  78   9.753   8.737   5.702
  610   2HD   ARG  78          2HD       ARG  78  11.352   9.369   5.366
  611    HE   ARG  78           HE       ARG  78   9.944   9.459   7.879
  612   1HH1  ARG  78          1HH2      ARG  78  12.353  11.123   5.974
  613   2HH1  ARG  78          2HH2      ARG  78  13.022  11.944   7.367
  614   1HH2  ARG  78          1HH1      ARG  78  10.810  10.581   9.609
  615   2HH2  ARG  78          2HH1      ARG  78  12.175  11.646   9.358
  616    H    MET  79           H        MET  79   5.372   9.414   3.739
  617    HA   MET  79           HA       MET  79   3.367  10.804   5.393
  618   1HB   MET  79          1HB       MET  79   2.092  10.461   3.111
  619   2HB   MET  79          2HB       MET  79   3.149  11.833   3.376
  620   1HG   MET  79          1HG       MET  79   4.957  10.636   2.215
  621   2HG   MET  79          2HG       MET  79   3.860   9.303   1.912
  622   1HE   MET  79          1HE       MET  79   3.683   9.069  -0.447
  623   2HE   MET  79          2HE       MET  79   2.049   9.203   0.292
  624   3HE   MET  79          3HE       MET  79   2.396  10.012  -1.276
  625    H    ARG  80           H        ARG  80   4.111   7.803   3.550
  626    HA   ARG  80           HA       ARG  80   1.738   6.460   4.198
  627   1HB   ARG  80          1HB       ARG  80   3.135   4.357   4.206
  628   2HB   ARG  80          2HB       ARG  80   3.157   5.323   2.745
  629   1HG   ARG  80          1HG       ARG  80   5.300   5.912   3.001
  630   2HG   ARG  80          2HG       ARG  80   5.154   6.056   4.742
  631   1HD   ARG  80          1HD       ARG  80   5.158   3.451   4.651
  632   2HD   ARG  80          2HD       ARG  80   5.929   3.715   3.100
  633    HE   ARG  80           HE       ARG  80   7.082   4.088   5.708
  634   1HH1  ARG  80          1HH2      ARG  80   7.379   5.166   2.363
  635   2HH1  ARG  80          2HH2      ARG  80   9.012   5.733   2.634
  636   1HH2  ARG  80          1HH1      ARG  80   9.127   4.889   5.931
  637   2HH2  ARG  80          2HH1      ARG  80   9.952   5.584   4.553
  638    H    ASP  81           H        ASP  81   4.196   7.423   6.448
  639    HA   ASP  81           HA       ASP  81   4.059   5.696   8.518
  640   1HB   ASP  81          1HB       ASP  81   4.729   8.317   8.216
  641   2HB   ASP  81          2HB       ASP  81   3.423   8.407   9.381
  642    H    GLN  82           H        GLN  82   1.357   7.669   7.452
  643    HA   GLN  82           HA       GLN  82  -0.367   6.769   9.631
  644   1HB   GLN  82          1HB       GLN  82  -0.279   9.119   8.488
  645   2HB   GLN  82          2HB       GLN  82  -1.289   8.348   7.281
  646   1HG   GLN  82          1HG       GLN  82  -3.019   8.879   8.625
  647   2HG   GLN  82          2HG       GLN  82  -2.464   7.573   9.652
  648   1HE2  GLN  82          2HE2      GLN  82  -1.929  11.026   8.966
  649   2HE2  GLN  82          1HE2      GLN  82  -1.532  11.478  10.609
  650    H    VAL  83           H        VAL  83  -0.227   6.629   6.054
  651    HA   VAL  83           HA       VAL  83  -2.494   4.962   5.733
  652    HB   VAL  83           HB       VAL  83  -1.983   4.722   3.516
  653   1HG1  VAL  83          1HG1      VAL  83  -2.361   7.036   4.078
  654   2HG1  VAL  83          2HG1      VAL  83  -0.605   7.259   4.394
  655   3HG1  VAL  83          3HG1      VAL  83  -1.181   6.908   2.727
  656   1HG2  VAL  83          1HG2      VAL  83   0.934   5.116   4.147
  657   2HG2  VAL  83          2HG2      VAL  83   0.122   3.569   3.722
  658   3HG2  VAL  83          3HG2      VAL  83   0.234   4.889   2.506
  659    H    MET  84           H        MET  84   0.578   4.237   6.931
  660    HA   MET  84           HA       MET  84   0.865   1.473   6.299
  661   1HB   MET  84          1HB       MET  84   2.067   3.466   8.148
  662   2HB   MET  84          2HB       MET  84   2.291   1.770   8.528
  663   1HG   MET  84          1HG       MET  84   3.521   1.368   6.625
  664   2HG   MET  84          2HG       MET  84   2.881   2.772   5.795
  665   1HE   MET  84          1HE       MET  84   3.738   3.701   9.328
  666   2HE   MET  84          2HE       MET  84   4.705   2.186   9.281
  667   3HE   MET  84          3HE       MET  84   5.532   3.778   9.399
  668    H    SER  85           H        SER  85   0.118   3.147   9.382
  669    HA   SER  85           HA       SER  85  -1.044   0.863  10.625
  670   1HB   SER  85          1HB       SER  85  -0.594   3.626  11.347
  671   2HB   SER  85          2HB       SER  85  -2.140   3.038  11.924
  672    HG   SER  85           HG       SER  85  -0.414   2.542  13.385
  673    H    MET  86           H        MET  86  -2.269   2.553   8.062
  674    HA   MET  86           HA       MET  86  -5.081   2.057   8.815
  675   1HB   MET  86          1HB       MET  86  -3.789   3.768   6.730
  676   2HB   MET  86          2HB       MET  86  -5.517   3.486   6.811
  677   1HG   MET  86          1HG       MET  86  -3.856   4.696   9.010
  678   2HG   MET  86          2HG       MET  86  -4.864   5.597   7.896
  679   1HE   MET  86          1HE       MET  86  -5.021   5.793  11.086
  680   2HE   MET  86          2HE       MET  86  -6.044   6.761   9.969
  681   3HE   MET  86          3HE       MET  86  -6.804   5.844  11.315
  682    H    ALA  87           H        ALA  87  -2.752   1.550   6.220
  683    HA   ALA  87           HA       ALA  87  -4.348  -0.433   4.852
  684   1HB   ALA  87          1HB       ALA  87  -2.997   1.090   3.538
  685   2HB   ALA  87          2HB       ALA  87  -1.521   0.512   4.386
  686   3HB   ALA  87          3HB       ALA  87  -2.444  -0.607   3.323
  687    H    HIS  88           H        HIS  88  -3.362  -0.810   7.706
  688    HA   HIS  88           HA       HIS  88  -2.019  -3.403   7.303
  689   1HB   HIS  88          1HB       HIS  88  -1.244  -3.298   9.456
  690   2HB   HIS  88          2HB       HIS  88  -1.154  -1.636   8.906
  691    HD1  HIS  88           1HD      HIS  88  -1.540  -2.848  12.006
  692    HD2  HIS  88           2HD      HIS  88  -4.268  -0.827   9.522
  693    HE1  HIS  88           1HE      HIS  88  -3.298  -1.802  13.567
  694    HE2  HIS  88           2HE      HIS  88  -4.946  -0.556  12.042
  695    H    ASN  89           H        ASN  89  -5.024  -2.022   8.180
  696    HA   ASN  89           HA       ASN  89  -6.147  -4.636   8.947
  697   1HB   ASN  89          1HB       ASN  89  -6.745  -1.868   9.814
  698   2HB   ASN  89          2HB       ASN  89  -8.057  -3.026   9.749
  699   1HD2  ASN  89          2HD2      ASN  89  -4.679  -3.748  10.517
  700   2HD2  ASN  89          1HD2      ASN  89  -4.972  -4.212  12.178
  701    H    LEU  90           H        LEU  90  -6.278  -1.958   6.691
  702    HA   LEU  90           HA       LEU  90  -8.739  -2.617   5.447
  703   1HB   LEU  90          1HB       LEU  90  -6.244  -1.204   4.667
  704   2HB   LEU  90          2HB       LEU  90  -7.403  -1.605   3.415
  705    HG   LEU  90           HG       LEU  90  -8.092  -0.041   5.887
  706   1HD1  LEU  90          1HD1      LEU  90  -6.411   1.161   4.535
  707   2HD1  LEU  90          2HD1      LEU  90  -7.428   0.916   3.073
  708   3HD1  LEU  90          3HD1      LEU  90  -8.019   1.957   4.415
  709   1HD2  LEU  90          1HD2      LEU  90  -9.544  -0.485   3.259
  710   2HD2  LEU  90          2HD2      LEU  90  -9.974  -1.231   4.837
  711   3HD2  LEU  90          3HD2      LEU  90 -10.120   0.548   4.614
  712    HA   PRO  91           HA       PRO  91  -6.418  -5.592   2.660
  713   1HB   PRO  91          1HB       PRO  91  -3.897  -6.429   3.267
  714   2HB   PRO  91          2HB       PRO  91  -4.272  -5.145   2.136
  715   1HG   PRO  91          1HG       PRO  91  -3.190  -4.952   4.869
  716   2HG   PRO  91          2HG       PRO  91  -3.123  -3.776   3.571
  717   1HD   PRO  91          1HD       PRO  91  -4.862  -3.774   5.799
  718   2HD   PRO  91          2HD       PRO  91  -4.878  -2.672   4.438
  719    H    ILE  92           H        ILE  92  -5.610  -5.835   6.099
  720    HA   ILE  92           HA       ILE  92  -5.800  -8.676   6.233
  721    HB   ILE  92           HB       ILE  92  -5.958  -6.467   8.174
  722   1HG1  ILE  92          1HG1      ILE  92  -4.107  -8.593   7.378
  723   2HG1  ILE  92          2HG1      ILE  92  -3.803  -6.918   7.792
  724   1HG2  ILE  92          1HG2      ILE  92  -7.732  -7.914   9.018
  725   2HG2  ILE  92          2HG2      ILE  92  -6.627  -9.330   8.935
  726   3HG2  ILE  92          3HG2      ILE  92  -6.291  -7.995  10.091
  727   1HD1  ILE  92          1HD1      ILE  92  -4.001  -7.450  10.190
  728   2HD1  ILE  92          2HD1      ILE  92  -4.315  -9.169   9.766
  729   3HD1  ILE  92          3HD1      ILE  92  -2.719  -8.428   9.394
  730    H    GLU  93           H        GLU  93  -8.247  -6.155   6.779
  731    HA   GLU  93           HA       GLU  93 -10.411  -7.829   7.452
  732   1HB   GLU  93          1HB       GLU  93 -10.189  -5.053   6.379
  733   2HB   GLU  93          2HB       GLU  93 -11.759  -5.822   6.502
  734   1HG   GLU  93          1HG       GLU  93 -10.404  -6.222   8.966
  735   2HG   GLU  93          2HG       GLU  93 -10.254  -4.528   8.544
  736    H    CYS  94           H        CYS  94  -8.956  -7.132   4.367
  737    HA   CYS  94           HA       CYS  94 -11.166  -8.388   2.904
  738   1HB   CYS  94          1HB       CYS  94  -8.657  -6.964   2.264
  739   2HB   CYS  94          2HB       CYS  94  -9.332  -8.046   1.064
  740    H    ASN  95           H        ASN  95  -8.442  -9.466   4.615
  741    HA   ASN  95           HA       ASN  95  -7.589 -11.524   4.947
  742   1HB   ASN  95          1HB       ASN  95  -9.885 -12.297   4.016
  743   2HB   ASN  95          2HB       ASN  95  -8.929 -12.771   2.627
  744   1HD2  ASN  95          2HD2      ASN  95  -6.677 -13.835   3.583
  745   2HD2  ASN  95          1HD2      ASN  95  -7.023 -15.191   4.632
  746    H    LEU  96           H        LEU  96  -6.547  -9.466   3.150
  747    HA   LEU  96           HA       LEU  96  -5.135 -10.892   1.063
  748   1HB   LEU  96          1HB       LEU  96  -4.681  -8.062   1.965
  749   2HB   LEU  96          2HB       LEU  96  -4.338  -8.759   0.394
  750    HG   LEU  96           HG       LEU  96  -7.127  -8.566   1.506
  751   1HD1  LEU  96          1HD1      LEU  96  -6.245  -6.311   1.441
  752   2HD1  LEU  96          2HD1      LEU  96  -5.720  -6.557  -0.260
  753   3HD1  LEU  96          3HD1      LEU  96  -7.471  -6.543   0.147
  754   1HD2  LEU  96          1HD2      LEU  96  -6.152  -8.906  -1.345
  755   2HD2  LEU  96          2HD2      LEU  96  -6.900 -10.177  -0.317
  756   3HD2  LEU  96          3HD2      LEU  96  -7.870  -8.755  -0.834
  757    H    MET  97           H        MET  97  -4.253  -9.053   3.958
  758    HA   MET  97           HA       MET  97  -1.857 -10.742   4.228
  759   1HB   MET  97          1HB       MET  97  -0.587  -8.920   5.000
  760   2HB   MET  97          2HB       MET  97  -1.378  -8.445   3.510
  761   1HG   MET  97          1HG       MET  97  -2.201  -6.691   4.571
  762   2HG   MET  97          2HG       MET  97  -3.172  -7.794   5.525
  763   1HE   MET  97          1HE       MET  97   0.188  -5.798   5.303
  764   2HE   MET  97          2HE       MET  97  -1.240  -4.791   5.730
  765   3HE   MET  97          3HE       MET  97   0.087  -5.022   6.922
  766    H    SER  98           H        SER  98  -4.567 -11.077   5.481
  767    HA   SER  98           HA       SER  98  -4.943 -10.319   8.023
  768   1HB   SER  98          1HB       SER  98  -6.475 -11.804   6.932
  769   2HB   SER  98          2HB       SER  98  -5.310 -13.111   6.990
  770    HG   SER  98           HG       SER  98  -6.818 -13.206   8.731
  771    H    GLN  99           H        GLN  99  -3.313 -13.401   7.489
  772    HA   GLN  99           HA       GLN  99  -1.104 -12.612   9.132
  773   1HB   GLN  99          1HB       GLN  99  -3.211 -13.396  10.592
  774   2HB   GLN  99          2HB       GLN  99  -2.430 -14.945  10.346
  775   1HG   GLN  99          1HG       GLN  99  -0.523 -14.319  11.489
  776   2HG   GLN  99          2HG       GLN  99  -0.776 -12.613  11.180
  777   1HE2  GLN  99          2HE2      GLN  99  -0.322 -12.309  13.471
  778   2HE2  GLN  99          1HE2      GLN  99  -1.608 -12.557  14.632
  779    HA   PRO 100           HA       PRO 100  -0.565 -16.032   6.054
  780   1HB   PRO 100          1HB       PRO 100   0.722 -14.707   4.034
  781   2HB   PRO 100          2HB       PRO 100  -1.004 -15.005   4.082
  782   1HG   PRO 100          1HG       PRO 100   0.460 -12.492   4.564
  783   2HG   PRO 100          2HG       PRO 100  -1.221 -12.722   4.125
  784   1HD   PRO 100          1HD       PRO 100  -0.200 -12.133   6.693
  785   2HD   PRO 100          2HD       PRO 100  -1.856 -12.532   6.284
  786    H    CYS 101           H        CYS 101   1.872 -13.451   5.769
  787    HA   CYS 101           HA       CYS 101   4.008 -15.282   6.346
  788   1HB   CYS 101          1HB       CYS 101   4.390 -12.369   6.547
  789   2HB   CYS 101          2HB       CYS 101   5.407 -13.589   5.807
  790    H    GLN 102           H        GLN 102   5.653 -14.511   8.071
  791    HA   GLN 102           HA       GLN 102   4.246 -14.106  10.634
  792   1HB   GLN 102          1HB       GLN 102   6.459 -15.309  11.460
  793   2HB   GLN 102          2HB       GLN 102   5.058 -16.209  10.916
  794   1HG   GLN 102          1HG       GLN 102   6.037 -16.696   8.834
  795   2HG   GLN 102          2HG       GLN 102   7.260 -15.457   9.024
  796   1HE2  GLN 102          2HE2      GLN 102   9.229 -16.131   9.556
  797   2HE2  GLN 102          1HE2      GLN 102   9.593 -17.632  10.378
  798    H    MET 103           H        MET 103   6.045 -13.397  12.321
  799    HA   MET 103           HA       MET 103   6.816 -10.794  12.090
  800   1HB   MET 103          1HB       MET 103   8.509 -11.315  13.826
  801   2HB   MET 103          2HB       MET 103   6.889 -11.887  14.168
  802   1HG   MET 103          1HG       MET 103   7.476 -14.068  14.016
  803   2HG   MET 103          2HG       MET 103   8.665 -13.770  12.764
  804   1HE   MET 103          1HE       MET 103   7.900 -13.802  16.614
  805   2HE   MET 103          2HE       MET 103   8.383 -15.389  15.920
  806   3HE   MET 103          3HE       MET 103   9.446 -14.569  17.117
  Start of MODEL    3
    1    HA   PRO   1           HA       PRO   1   5.690  -2.341   9.797
    2   1HB   PRO   1          1HB       PRO   1   3.138  -3.145   9.207
    3   2HB   PRO   1          2HB       PRO   1   3.775  -1.547   8.878
    4   1HG   PRO   1          1HG       PRO   1   3.201  -3.727   6.990
    5   2HG   PRO   1          2HG       PRO   1   3.437  -2.023   6.660
    6   1HD   PRO   1          1HD       PRO   1   5.312  -4.143   6.314
    7   2HD   PRO   1          2HD       PRO   1   5.558  -2.435   6.013
    8    H    TYR   2           H        TYR   2   7.271  -4.533   9.777
    9    HA   TYR   2           HA       TYR   2   6.040  -6.282  11.657
   10   1HB   TYR   2          1HB       TYR   2   4.810  -7.237   9.901
   11   2HB   TYR   2          2HB       TYR   2   6.152  -7.110   8.782
   12    HD1  TYR   2           1HD      TYR   2   7.410  -8.993   8.275
   13    HD2  TYR   2           2HD      TYR   2   5.201  -8.830  11.961
   14    HE1  TYR   2           1HE      TYR   2   8.024 -11.364   8.747
   15    HE2  TYR   2           2HE      TYR   2   5.832 -11.191  12.435
   16    HH   TYR   2           HH       TYR   2   6.909 -12.981  11.699
   17    H    GLY   3           H        GLY   3   8.348  -6.419   8.944
   18   1HA   GLY   3          1HA       GLY   3  10.631  -6.606  10.698
   19   2HA   GLY   3          2HA       GLY   3  10.232  -8.132   9.937
   20    H    ARG   4           H        ARG   4  12.362  -7.924   8.948
   21    HA   ARG   4           HA       ARG   4  12.227  -6.216   6.526
   22   1HB   ARG   4          1HB       ARG   4  14.122  -6.107   8.537
   23   2HB   ARG   4          2HB       ARG   4  14.897  -7.064   7.289
   24   1HG   ARG   4          1HG       ARG   4  15.348  -5.176   6.175
   25   2HG   ARG   4          2HG       ARG   4  13.628  -4.922   5.970
   26   1HD   ARG   4          1HD       ARG   4  13.844  -3.076   7.209
   27   2HD   ARG   4          2HD       ARG   4  14.154  -4.119   8.583
   28    HE   ARG   4           HE       ARG   4  16.546  -3.754   7.078
   29   1HH1  ARG   4          1HH2      ARG   4  14.466  -2.043   9.320
   30   2HH1  ARG   4          2HH2      ARG   4  15.756  -1.015   9.901
   31   1HH2  ARG   4          1HH1      ARG   4  18.182  -2.420   7.837
   32   2HH2  ARG   4          2HH1      ARG   4  17.838  -1.227   9.069
   33    H    GLY   5           H        GLY   5  13.182  -7.042   4.603
   34   1HA   GLY   5          1HA       GLY   5  14.394  -9.414   4.097
   35   2HA   GLY   5          2HA       GLY   5  12.728  -9.908   4.322
   36    H    ARG   6           H        ARG   6  14.772  -7.584   2.554
   37    HA   ARG   6           HA       ARG   6  12.953  -6.719   0.644
   38   1HB   ARG   6          1HB       ARG   6  14.801  -6.113  -0.703
   39   2HB   ARG   6          2HB       ARG   6  15.378  -6.001   0.947
   40   1HG   ARG   6          1HG       ARG   6  16.057  -8.536   0.480
   41   2HG   ARG   6          2HG       ARG   6  16.088  -7.962  -1.175
   42   1HD   ARG   6          1HD       ARG   6  17.775  -6.389  -0.714
   43   2HD   ARG   6          2HD       ARG   6  17.528  -6.506   1.016
   44    HE   ARG   6           HE       ARG   6  18.932  -8.337   1.084
   45   1HH1  ARG   6          1HH2      ARG   6  17.968  -7.785  -2.246
   46   2HH1  ARG   6          2HH2      ARG   6  19.049  -9.009  -2.874
   47   1HH2  ARG   6          1HH1      ARG   6  20.299  -9.917   0.241
   48   2HH2  ARG   6          2HH1      ARG   6  20.351 -10.200  -1.484
   49    H    THR   7           H        THR   7  12.735  -7.282  -1.630
   50    HA   THR   7           HA       THR   7  13.130 -10.142  -2.215
   51    HB   THR   7           HB       THR   7  10.754 -10.459  -2.778
   52    HG1  THR   7           1HG      THR   7   9.304  -8.767  -2.149
   53   1HG2  THR   7          1HG2      THR   7  11.448 -10.986  -0.438
   54   2HG2  THR   7          2HG2      THR   7  11.067  -9.288   0.016
   55   3HG2  THR   7          3HG2      THR   7   9.754 -10.389  -0.530
   56    H    GLU   8           H        GLU   8  13.942 -10.299  -4.157
   57    HA   GLU   8           HA       GLU   8  14.436  -8.233  -5.894
   58   1HB   GLU   8          1HB       GLU   8  13.861 -10.995  -6.900
   59   2HB   GLU   8          2HB       GLU   8  14.987  -9.816  -7.543
   60   1HG   GLU   8          1HG       GLU   8  16.564 -10.913  -6.377
   61   2HG   GLU   8          2HG       GLU   8  15.866 -10.167  -4.953
   62    H    SER   9           H        SER   9  13.651  -7.869  -8.127
   63    HA   SER   9           HA       SER   9  11.017  -6.967  -8.103
   64   1HB   SER   9          1HB       SER   9  11.543  -7.505 -10.771
   65   2HB   SER   9          2HB       SER   9  11.814  -5.996  -9.922
   66    HG   SER   9           HG       SER   9  13.709  -6.753 -10.990
   67    H    GLY  10           H        GLY  10   9.059  -7.839  -8.316
   68   1HA   GLY  10          1HA       GLY  10   8.538 -10.152  -9.921
   69   2HA   GLY  10          2HA       GLY  10   8.592 -10.576  -8.222
   70    H    CYS  11           H        CYS  11   6.913 -10.092  -6.896
   71    HA   CYS  11           HA       CYS  11   4.430  -9.483  -8.077
   72   1HB   CYS  11          1HB       CYS  11   5.215  -9.277  -5.203
   73   2HB   CYS  11          2HB       CYS  11   3.577  -9.274  -5.826
   74    H    TYR  12           H        TYR  12   6.486  -7.495  -5.926
   75    HA   TYR  12           HA       TYR  12   5.265  -5.105  -5.836
   76   1HB   TYR  12          1HB       TYR  12   7.361  -5.223  -4.902
   77   2HB   TYR  12          2HB       TYR  12   8.073  -5.911  -6.347
   78    HD1  TYR  12           1HD      TYR  12   9.581  -4.577  -7.477
   79    HD2  TYR  12           2HD      TYR  12   6.288  -2.752  -5.400
   80    HE1  TYR  12           1HE      TYR  12  10.408  -2.331  -8.152
   81    HE2  TYR  12           2HE      TYR  12   7.124  -0.519  -6.098
   82    HH   TYR  12           HH       TYR  12   8.703   0.620  -7.208
   83    H    GLN  13           H        GLN  13   7.279  -6.086  -8.635
   84    HA   GLN  13           HA       GLN  13   6.807  -3.820 -10.209
   85   1HB   GLN  13          1HB       GLN  13   8.464  -5.525 -10.743
   86   2HB   GLN  13          2HB       GLN  13   7.189  -6.683 -11.063
   87   1HG   GLN  13          1HG       GLN  13   6.389  -4.752 -12.714
   88   2HG   GLN  13          2HG       GLN  13   8.099  -4.373 -12.687
   89   1HE2  GLN  13          2HE2      GLN  13   8.709  -4.979 -14.700
   90   2HE2  GLN  13          1HE2      GLN  13   8.586  -6.619 -15.298
   91    H    GLN  14           H        GLN  14   4.915  -6.863 -10.065
   92    HA   GLN  14           HA       GLN  14   2.935  -5.914 -11.881
   93   1HB   GLN  14          1HB       GLN  14   2.130  -7.980 -11.715
   94   2HB   GLN  14          2HB       GLN  14   3.572  -8.309 -10.777
   95   1HG   GLN  14          1HG       GLN  14   2.188  -7.578  -8.751
   96   2HG   GLN  14          2HG       GLN  14   0.798  -7.760  -9.802
   97   1HE2  GLN  14          2HE2      GLN  14   2.601  -9.320  -7.511
   98   2HE2  GLN  14          1HE2      GLN  14   2.228 -10.973  -7.951
   99    H    MET  15           H        MET  15   3.505  -5.251  -8.599
  100    HA   MET  15           HA       MET  15   0.858  -4.658  -7.766
  101   1HB   MET  15          1HB       MET  15   2.856  -5.149  -6.267
  102   2HB   MET  15          2HB       MET  15   3.339  -3.494  -6.579
  103   1HG   MET  15          1HG       MET  15   0.757  -3.123  -5.912
  104   2HG   MET  15          2HG       MET  15   1.134  -4.532  -4.940
  105   1HE   MET  15          1HE       MET  15   2.874  -4.668  -3.101
  106   2HE   MET  15          2HE       MET  15   4.124  -4.317  -4.346
  107   3HE   MET  15          3HE       MET  15   4.115  -3.403  -2.797
  108    H    GLU  16           H        GLU  16   3.660  -2.472  -8.322
  109    HA   GLU  16           HA       GLU  16   2.278  -0.077  -8.330
  110   1HB   GLU  16          1HB       GLU  16   4.067   0.604 -10.069
  111   2HB   GLU  16          2HB       GLU  16   4.550   0.181  -8.440
  112   1HG   GLU  16          1HG       GLU  16   5.427  -1.855  -9.087
  113   2HG   GLU  16          2HG       GLU  16   4.479  -1.906 -10.561
  114    H    GLU  17           H        GLU  17   2.537  -2.437 -10.943
  115    HA   GLU  17           HA       GLU  17   1.288  -0.777 -12.914
  116   1HB   GLU  17          1HB       GLU  17   2.724  -2.857 -13.281
  117   2HB   GLU  17          2HB       GLU  17   1.281  -3.777 -12.907
  118   1HG   GLU  17          1HG       GLU  17   0.191  -3.105 -14.824
  119   2HG   GLU  17          2HG       GLU  17   1.074  -1.595 -14.922
  120    H    ALA  18           H        ALA  18   0.129  -2.866 -10.416
  121    HA   ALA  18           HA       ALA  18  -2.628  -2.400 -11.308
  122   1HB   ALA  18          1HB       ALA  18  -2.062  -4.759 -11.203
  123   2HB   ALA  18          2HB       ALA  18  -1.513  -4.557  -9.502
  124   3HB   ALA  18          3HB       ALA  18  -3.249  -4.340  -9.919
  125    H    GLU  19           H        GLU  19  -0.730  -0.696  -9.629
  126    HA   GLU  19           HA       GLU  19  -0.760  -0.150  -7.212
  127   1HB   GLU  19          1HB       GLU  19  -2.152   2.115  -7.779
  128   2HB   GLU  19          2HB       GLU  19  -0.455   1.852  -8.129
  129   1HG   GLU  19          1HG       GLU  19  -0.817   1.564 -10.375
  130   2HG   GLU  19          2HG       GLU  19  -2.454   0.981 -10.146
  131    H    MET  20           H        MET  20  -1.956  -1.669  -6.061
  132    HA   MET  20           HA       MET  20  -4.876  -1.425  -6.151
  133   1HB   MET  20          1HB       MET  20  -4.863  -3.393  -4.688
  134   2HB   MET  20          2HB       MET  20  -3.904  -3.678  -6.127
  135   1HG   MET  20          1HG       MET  20  -2.047  -2.635  -4.437
  136   2HG   MET  20          2HG       MET  20  -3.078  -3.508  -3.321
  137   1HE   MET  20          1HE       MET  20  -2.652  -4.478  -7.039
  138   2HE   MET  20          2HE       MET  20  -1.054  -3.746  -6.661
  139   3HE   MET  20          3HE       MET  20  -1.180  -5.507  -6.995
  140    H    LEU  21           H        LEU  21  -2.120  -0.806  -4.102
  141    HA   LEU  21           HA       LEU  21  -3.839   0.110  -1.943
  142   1HB   LEU  21          1HB       LEU  21  -0.866   0.129  -2.058
  143   2HB   LEU  21          2HB       LEU  21  -1.895   0.227  -0.643
  144    HG   LEU  21           HG       LEU  21  -2.533  -2.165  -1.900
  145   1HD1  LEU  21          1HD1      LEU  21  -0.522  -2.059  -3.231
  146   2HD1  LEU  21          2HD1      LEU  21   0.463  -1.811  -1.748
  147   3HD1  LEU  21          3HD1      LEU  21  -0.390  -3.372  -2.010
  148   1HD2  LEU  21          1HD2      LEU  21  -0.869  -1.676   0.570
  149   2HD2  LEU  21          2HD2      LEU  21  -2.659  -1.812   0.486
  150   3HD2  LEU  21          3HD2      LEU  21  -1.631  -3.239   0.113
  151    H    ASN  22           H        ASN  22  -3.506   1.385  -4.694
  152    HA   ASN  22           HA       ASN  22  -2.478   4.031  -3.973
  153   1HB   ASN  22          1HB       ASN  22  -1.970   3.350  -6.187
  154   2HB   ASN  22          2HB       ASN  22  -3.618   2.831  -6.481
  155   1HD2  ASN  22          2HD2      ASN  22  -1.920   5.754  -5.379
  156   2HD2  ASN  22          1HD2      ASN  22  -2.888   6.879  -6.306
  157    H    HIS  23           H        HIS  23  -5.526   2.365  -4.530
  158    HA   HIS  23           HA       HIS  23  -7.089   4.802  -4.402
  159   1HB   HIS  23          1HB       HIS  23  -7.958   1.928  -4.322
  160   2HB   HIS  23          2HB       HIS  23  -9.007   3.314  -4.540
  161    HD1  HIS  23           1HD      HIS  23  -9.577   3.794  -6.945
  162    HD2  HIS  23           2HD      HIS  23  -5.867   1.845  -6.468
  163    HE1  HIS  23           1HE      HIS  23  -8.708   3.284  -9.313
  164    HE2  HIS  23           2HE      HIS  23  -6.425   2.149  -9.014
  165    H    CYS  24           H        CYS  24  -6.670   1.905  -2.354
  166    HA   CYS  24           HA       CYS  24  -8.057   3.015  -0.136
  167   1HB   CYS  24          1HB       CYS  24  -6.337   0.689  -0.608
  168   2HB   CYS  24          2HB       CYS  24  -6.326   1.301   1.034
  169    H    GLY  25           H        GLY  25  -5.047   3.799  -1.496
  170   1HA   GLY  25          1HA       GLY  25  -3.776   4.721   0.910
  171   2HA   GLY  25          2HA       GLY  25  -3.254   4.982  -0.742
  172    H    MET  26           H        MET  26  -5.462   6.270  -1.861
  173    HA   MET  26           HA       MET  26  -5.123   8.928  -1.095
  174   1HB   MET  26          1HB       MET  26  -7.139   7.408  -2.646
  175   2HB   MET  26          2HB       MET  26  -7.557   9.039  -2.163
  176   1HG   MET  26          1HG       MET  26  -5.540   9.889  -3.235
  177   2HG   MET  26          2HG       MET  26  -5.081   8.260  -3.687
  178   1HE   MET  26          1HE       MET  26  -4.898   9.876  -6.054
  179   2HE   MET  26          2HE       MET  26  -5.018   8.085  -6.140
  180   3HE   MET  26          3HE       MET  26  -6.012   9.107  -7.236
  181    H    TYR  27           H        TYR  27  -7.576   6.587  -0.034
  182    HA   TYR  27           HA       TYR  27  -9.191   8.279   1.495
  183   1HB   TYR  27          1HB       TYR  27  -9.641   5.945   0.913
  184   2HB   TYR  27          2HB       TYR  27  -8.345   5.433   1.975
  185    HD1  TYR  27           1HD      TYR  27  -8.591   6.206   4.501
  186    HD2  TYR  27           2HD      TYR  27 -11.821   5.882   1.694
  187    HE1  TYR  27           1HE      TYR  27 -10.203   6.126   6.391
  188    HE2  TYR  27           2HE      TYR  27 -13.428   5.728   3.590
  189    HH   TYR  27           HH       TYR  27 -13.685   5.737   5.764
  190    H    LEU  28           H        LEU  28  -6.077   6.840   2.234
  191    HA   LEU  28           HA       LEU  28  -6.209   7.770   5.002
  192   1HB   LEU  28          1HB       LEU  28  -3.838   6.396   3.896
  193   2HB   LEU  28          2HB       LEU  28  -4.523   6.329   5.507
  194    HG   LEU  28           HG       LEU  28  -6.042   5.159   3.280
  195   1HD1  LEU  28          1HD1      LEU  28  -3.838   4.294   2.813
  196   2HD1  LEU  28          2HD1      LEU  28  -3.665   3.779   4.527
  197   3HD1  LEU  28          3HD1      LEU  28  -4.893   2.997   3.472
  198   1HD2  LEU  28          1HD2      LEU  28  -5.681   4.409   6.166
  199   2HD2  LEU  28          2HD2      LEU  28  -7.075   5.276   5.436
  200   3HD2  LEU  28          3HD2      LEU  28  -6.749   3.565   4.992
  201    H    MET  29           H        MET  29  -4.759   8.490   1.938
  202    HA   MET  29           HA       MET  29  -2.947  10.470   2.991
  203   1HB   MET  29          1HB       MET  29  -2.972   8.893   0.734
  204   2HB   MET  29          2HB       MET  29  -3.345  10.495   0.130
  205   1HG   MET  29          1HG       MET  29  -1.158  10.367   2.079
  206   2HG   MET  29          2HG       MET  29  -0.843   9.576   0.549
  207   1HE   MET  29          1HE       MET  29  -1.341  12.822   2.491
  208   2HE   MET  29          2HE       MET  29   0.350  12.297   2.176
  209   3HE   MET  29          3HE       MET  29  -0.263  13.833   1.467
  210    H    LYS  30           H        LYS  30  -6.115  10.502   2.816
  211    HA   LYS  30           HA       LYS  30  -6.495  13.019   1.443
  212   1HB   LYS  30          1HB       LYS  30  -8.170  10.889   2.455
  213   2HB   LYS  30          2HB       LYS  30  -8.798  12.467   2.887
  214   1HG   LYS  30          1HG       LYS  30  -8.215  12.994   0.351
  215   2HG   LYS  30          2HG       LYS  30  -8.414  11.261   0.194
  216   1HD   LYS  30          1HD       LYS  30 -10.626  11.603   1.458
  217   2HD   LYS  30          2HD       LYS  30 -10.426  13.299   1.068
  218   1HE   LYS  30          1HE       LYS  30 -10.501  11.050  -0.945
  219   2HE   LYS  30          2HE       LYS  30 -11.832  12.136  -0.596
  220   1HZ   LYS  30          1HZ       LYS  30 -10.475  13.957  -1.326
  221   2HZ   LYS  30          2HZ       LYS  30  -9.217  12.931  -1.658
  222   3HZ   LYS  30          3HZ       LYS  30 -10.622  12.827  -2.529
  223    H    ASN  31           H        ASN  31  -5.697  11.934   4.593
  224    HA   ASN  31           HA       ASN  31  -6.114  14.666   5.660
  225   1HB   ASN  31          1HB       ASN  31  -6.117  13.670   7.848
  226   2HB   ASN  31          2HB       ASN  31  -7.243  12.781   6.841
  227   1HD2  ASN  31          2HD2      ASN  31  -6.916  10.643   6.435
  228   2HD2  ASN  31          1HD2      ASN  31  -5.540   9.737   7.024
  229    H    LEU  32           H        LEU  32  -3.783  12.511   4.495
  230    HA   LEU  32           HA       LEU  32  -1.632  13.443   6.186
  231   1HB   LEU  32          1HB       LEU  32  -1.661  11.797   3.688
  232   2HB   LEU  32          2HB       LEU  32  -0.224  12.143   4.630
  233    HG   LEU  32           HG       LEU  32  -2.607  10.814   5.822
  234   1HD1  LEU  32          1HD1      LEU  32  -1.915   9.479   3.890
  235   2HD1  LEU  32          2HD1      LEU  32  -0.220   9.512   4.489
  236   3HD1  LEU  32          3HD1      LEU  32  -1.490   8.659   5.433
  237   1HD2  LEU  32          1HD2      LEU  32   0.336  10.903   6.531
  238   2HD2  LEU  32          2HD2      LEU  32  -0.981  11.815   7.349
  239   3HD2  LEU  32          3HD2      LEU  32  -0.936  10.020   7.444
  240    H    GLY  33           H        GLY  33  -3.293  14.680   3.521
  241   1HA   GLY  33          1HA       GLY  33  -2.087  17.113   3.364
  242   2HA   GLY  33          2HA       GLY  33  -1.128  16.117   2.289
  243    H    GLU  34           H        GLU  34  -2.910  18.422   1.746
  244    HA   GLU  34           HA       GLU  34  -5.169  17.266   0.336
  245   1HB   GLU  34          1HB       GLU  34  -4.869  19.638   1.521
  246   2HB   GLU  34          2HB       GLU  34  -4.410  20.091  -0.109
  247   1HG   GLU  34          1HG       GLU  34  -6.632  20.316  -0.463
  248   2HG   GLU  34          2HG       GLU  34  -6.638  18.566  -0.560
  249    H    ARG  35           H        ARG  35  -3.629  15.804  -0.886
  250    HA   ARG  35           HA       ARG  35  -1.912  16.912  -2.852
  251   1HB   ARG  35          1HB       ARG  35  -1.827  14.557  -2.105
  252   2HB   ARG  35          2HB       ARG  35  -3.361  14.267  -2.902
  253   1HG   ARG  35          1HG       ARG  35  -1.838  15.430  -4.891
  254   2HG   ARG  35          2HG       ARG  35  -0.677  14.429  -4.041
  255   1HD   ARG  35          1HD       ARG  35  -1.475  12.633  -5.083
  256   2HD   ARG  35          2HD       ARG  35  -3.042  12.909  -4.349
  257    HE   ARG  35           HE       ARG  35  -2.514  14.551  -6.691
  258   1HH1  ARG  35          1HH2      ARG  35  -3.851  11.521  -5.555
  259   2HH1  ARG  35          2HH2      ARG  35  -4.838  11.296  -6.981
  260   1HH2  ARG  35          1HH1      ARG  35  -3.797  14.223  -8.528
  261   2HH2  ARG  35          2HH1      ARG  35  -4.808  12.799  -8.635
  262    H    SER  36           H        SER  36  -5.158  15.474  -3.211
  263    HA   SER  36           HA       SER  36  -5.450  16.712  -5.829
  264   1HB   SER  36          1HB       SER  36  -6.418  14.425  -4.768
  265   2HB   SER  36          2HB       SER  36  -7.793  15.489  -4.547
  266    HG   SER  36           HG       SER  36  -7.814  14.444  -6.601
  267    H    GLN  37           H        GLN  37  -7.412  17.969  -6.376
  268    HA   GLN  37           HA       GLN  37  -7.604  20.361  -5.064
  269   1HB   GLN  37          1HB       GLN  37  -9.677  18.862  -6.630
  270   2HB   GLN  37          2HB       GLN  37  -9.948  20.492  -6.045
  271   1HG   GLN  37          1HG       GLN  37  -7.518  20.771  -7.222
  272   2HG   GLN  37          2HG       GLN  37  -8.237  19.543  -8.243
  273   1HE2  GLN  37          2HE2      GLN  37  -9.088  20.405 -10.024
  274   2HE2  GLN  37          1HE2      GLN  37  -9.986  21.905 -10.096
  275    H    VAL  38           H        VAL  38  -9.122  21.384  -3.704
  276    HA   VAL  38           HA       VAL  38  -9.875  19.617  -1.496
  277    HB   VAL  38           HB       VAL  38  -8.655  21.757  -1.175
  278   1HG1  VAL  38          1HG1      VAL  38  -9.819  23.132  -2.832
  279   2HG1  VAL  38          2HG1      VAL  38 -11.337  22.987  -1.879
  280   3HG1  VAL  38          3HG1      VAL  38  -9.927  23.869  -1.195
  281   1HG2  VAL  38          1HG2      VAL  38 -11.325  21.477   0.228
  282   2HG2  VAL  38          2HG2      VAL  38  -9.793  20.650   0.677
  283   3HG2  VAL  38          3HG2      VAL  38  -9.926  22.437   0.823
  284    H    SER  39           H        SER  39 -11.888  19.068  -0.894
  285    HA   SER  39           HA       SER  39 -14.200  20.507  -1.698
  286   1HB   SER  39          1HB       SER  39 -13.245  18.992  -3.765
  287   2HB   SER  39          2HB       SER  39 -14.398  17.909  -3.014
  288    HG   SER  39           HG       SER  39 -15.373  19.263  -4.601
  289    HA   PRO  40           HA       PRO  40 -15.741  17.998   1.537
  290   1HB   PRO  40          1HB       PRO  40 -18.461  18.119   1.055
  291   2HB   PRO  40          2HB       PRO  40 -17.541  19.369   1.866
  292   1HG   PRO  40          1HG       PRO  40 -18.664  19.375  -0.848
  293   2HG   PRO  40          2HG       PRO  40 -18.111  20.729   0.117
  294   1HD   PRO  40          1HD       PRO  40 -16.749  19.487  -2.035
  295   2HD   PRO  40          2HD       PRO  40 -16.145  20.757  -0.989
  296    H    ARG  41           H        ARG  41 -14.902  16.025   0.930
  297    HA   ARG  41           HA       ARG  41 -16.542  14.229  -0.710
  298   1HB   ARG  41          1HB       ARG  41 -14.340  12.796  -0.369
  299   2HB   ARG  41          2HB       ARG  41 -14.484  13.994  -1.640
  300   1HG   ARG  41          1HG       ARG  41 -12.357  14.185  -0.458
  301   2HG   ARG  41          2HG       ARG  41 -13.336  15.626  -0.268
  302   1HD   ARG  41          1HD       ARG  41 -13.862  13.765   1.855
  303   2HD   ARG  41          2HD       ARG  41 -12.147  14.106   1.751
  304    HE   ARG  41           HE       ARG  41 -13.159  16.591   1.663
  305   1HH1  ARG  41          1HH2      ARG  41 -13.900  13.911   3.807
  306   2HH1  ARG  41          2HH2      ARG  41 -14.358  14.959   5.132
  307   1HH2  ARG  41          1HH1      ARG  41 -13.765  17.908   3.384
  308   2HH2  ARG  41          2HH1      ARG  41 -14.281  17.190   4.894
  309    H    MET  42           H        MET  42 -17.154  15.037   2.046
  310    HA   MET  42           HA       MET  42 -16.581  13.335   4.051
  311   1HB   MET  42          1HB       MET  42 -19.092  13.425   4.602
  312   2HB   MET  42          2HB       MET  42 -18.207  14.935   4.512
  313   1HG   MET  42          1HG       MET  42 -19.180  15.539   2.496
  314   2HG   MET  42          2HG       MET  42 -19.563  13.883   2.068
  315   1HE   MET  42          1HE       MET  42 -21.935  14.651   1.252
  316   2HE   MET  42          2HE       MET  42 -21.828  13.038   2.038
  317   3HE   MET  42          3HE       MET  42 -23.205  14.130   2.413
  318    H    ARG  43           H        ARG  43 -18.460  12.470   1.201
  319    HA   ARG  43           HA       ARG  43 -17.745   9.779   1.252
  320   1HB   ARG  43          1HB       ARG  43 -19.929  10.452   3.022
  321   2HB   ARG  43          2HB       ARG  43 -20.465   9.349   1.771
  322   1HG   ARG  43          1HG       ARG  43 -18.953   7.690   2.411
  323   2HG   ARG  43          2HG       ARG  43 -17.915   8.827   3.249
  324   1HD   ARG  43          1HD       ARG  43 -19.021   7.701   4.978
  325   2HD   ARG  43          2HD       ARG  43 -19.914   9.199   4.813
  326    HE   ARG  43           HE       ARG  43 -21.178   7.394   3.123
  327   1HH1  ARG  43          1HH2      ARG  43 -20.531   7.588   6.566
  328   2HH1  ARG  43          2HH2      ARG  43 -21.949   6.657   6.990
  329   1HH2  ARG  43          1HH1      ARG  43 -22.990   6.195   3.706
  330   2HH2  ARG  43          2HH1      ARG  43 -23.322   5.879   5.394
  331    H    GLU  44           H        GLU  44 -17.470  10.159  -0.944
  332    HA   GLU  44           HA       GLU  44 -20.023  10.188  -2.444
  333   1HB   GLU  44          1HB       GLU  44 -18.198  12.340  -2.360
  334   2HB   GLU  44          2HB       GLU  44 -18.066  11.610  -3.946
  335   1HG   GLU  44          1HG       GLU  44 -20.816  11.945  -2.969
  336   2HG   GLU  44          2HG       GLU  44 -19.953  13.442  -3.260
  337    H    GLU  45           H        GLU  45 -16.485   9.890  -2.788
  338    HA   GLU  45           HA       GLU  45 -16.965   7.700  -4.720
  339   1HB   GLU  45          1HB       GLU  45 -14.805   9.713  -4.394
  340   2HB   GLU  45          2HB       GLU  45 -14.376   8.146  -5.053
  341   1HG   GLU  45          1HG       GLU  45 -16.797   9.348  -6.222
  342   2HG   GLU  45          2HG       GLU  45 -15.318  10.230  -6.544
  343    H    ASP  46           H        ASP  46 -16.344   5.682  -4.350
  344    HA   ASP  46           HA       ASP  46 -15.225   5.106  -1.686
  345   1HB   ASP  46          1HB       ASP  46 -17.322   3.972  -3.092
  346   2HB   ASP  46          2HB       ASP  46 -16.019   2.818  -3.289
  347    H    HIS  47           H        HIS  47 -13.033   5.336  -1.845
  348    HA   HIS  47           HA       HIS  47 -11.727   3.923  -4.066
  349   1HB   HIS  47          1HB       HIS  47 -11.012   6.186  -2.321
  350   2HB   HIS  47          2HB       HIS  47  -9.702   5.169  -2.886
  351    HD1  HIS  47           1HD      HIS  47 -12.554   5.547  -5.272
  352    HD2  HIS  47           2HD      HIS  47  -8.823   7.353  -4.400
  353    HE1  HIS  47           1HE      HIS  47 -11.980   7.041  -7.284
  354    HE2  HIS  47           2HE      HIS  47  -9.709   8.129  -6.758
  355    H    LYS  48           H        LYS  48 -12.998   2.325  -2.165
  356    HA   LYS  48           HA       LYS  48 -10.667   1.154  -0.762
  357   1HB   LYS  48          1HB       LYS  48 -12.723   2.150   0.557
  358   2HB   LYS  48          2HB       LYS  48 -13.405   0.578   0.190
  359   1HG   LYS  48          1HG       LYS  48 -11.055  -0.272   1.034
  360   2HG   LYS  48          2HG       LYS  48 -11.045   1.266   1.874
  361   1HD   LYS  48          1HD       LYS  48 -12.325   0.360   3.463
  362   2HD   LYS  48          2HD       LYS  48 -13.600   0.159   2.279
  363   1HE   LYS  48          1HE       LYS  48 -11.927  -1.954   1.716
  364   2HE   LYS  48          2HE       LYS  48 -11.824  -1.845   3.462
  365   1HZ   LYS  48          1HZ       LYS  48 -14.203  -1.936   3.558
  366   2HZ   LYS  48          2HZ       LYS  48 -14.300  -2.039   1.908
  367   3HZ   LYS  48          3HZ       LYS  48 -13.605  -3.267   2.776
  368    H    GLN  49           H        GLN  49 -13.923   0.227  -1.956
  369    HA   GLN  49           HA       GLN  49 -13.356  -2.469  -2.354
  370   1HB   GLN  49          1HB       GLN  49 -15.223  -0.556  -3.667
  371   2HB   GLN  49          2HB       GLN  49 -15.067  -2.187  -4.289
  372   1HG   GLN  49          1HG       GLN  49 -15.441  -2.949  -1.873
  373   2HG   GLN  49          2HG       GLN  49 -15.983  -1.311  -1.570
  374   1HE2  GLN  49          2HE2      GLN  49 -18.000  -2.457  -0.964
  375   2HE2  GLN  49          1HE2      GLN  49 -19.140  -2.853  -2.231
  376    H    LEU  50           H        LEU  50 -12.283   0.272  -4.227
  377    HA   LEU  50           HA       LEU  50 -11.459  -1.203  -6.517
  378   1HB   LEU  50          1HB       LEU  50 -11.019   1.506  -5.409
  379   2HB   LEU  50          2HB       LEU  50  -9.904   0.929  -6.632
  380    HG   LEU  50           HG       LEU  50 -12.887   1.063  -6.941
  381   1HD1  LEU  50          1HD1      LEU  50 -11.919   3.305  -6.796
  382   2HD1  LEU  50          2HD1      LEU  50 -10.713   2.864  -8.056
  383   3HD1  LEU  50          3HD1      LEU  50 -12.460   2.953  -8.475
  384   1HD2  LEU  50          1HD2      LEU  50 -10.714   0.446  -8.973
  385   2HD2  LEU  50          2HD2      LEU  50 -11.894  -0.730  -8.296
  386   3HD2  LEU  50          3HD2      LEU  50 -12.465   0.623  -9.334
  387    H    CYS  51           H        CYS  51  -9.805  -0.270  -3.491
  388    HA   CYS  51           HA       CYS  51  -7.339  -1.493  -4.225
  389   1HB   CYS  51          1HB       CYS  51  -6.613  -0.964  -2.151
  390   2HB   CYS  51          2HB       CYS  51  -7.869   0.229  -2.409
  391    H    CYS  52           H        CYS  52 -10.147  -2.627  -2.322
  392    HA   CYS  52           HA       CYS  52  -9.045  -5.195  -1.785
  393   1HB   CYS  52          1HB       CYS  52 -11.066  -3.921  -0.749
  394   2HB   CYS  52          2HB       CYS  52 -11.970  -4.736  -2.009
  395    H    MET  53           H        MET  53 -10.176  -3.777  -4.635
  396    HA   MET  53           HA       MET  53 -11.075  -6.202  -5.928
  397   1HB   MET  53          1HB       MET  53 -12.062  -4.087  -6.573
  398   2HB   MET  53          2HB       MET  53 -10.483  -3.459  -6.999
  399   1HG   MET  53          1HG       MET  53 -10.595  -5.719  -8.495
  400   2HG   MET  53          2HG       MET  53 -12.270  -5.204  -8.500
  401   1HE   MET  53          1HE       MET  53  -9.027  -5.045 -10.204
  402   2HE   MET  53          2HE       MET  53 -10.527  -5.459 -11.105
  403   3HE   MET  53          3HE       MET  53  -9.568  -4.012 -11.573
  404    H    GLN  54           H        GLN  54  -8.504  -3.860  -6.873
  405    HA   GLN  54           HA       GLN  54  -7.163  -5.592  -8.592
  406   1HB   GLN  54          1HB       GLN  54  -6.292  -3.271  -6.930
  407   2HB   GLN  54          2HB       GLN  54  -5.110  -4.182  -7.848
  408   1HG   GLN  54          1HG       GLN  54  -5.739  -3.234  -9.760
  409   2HG   GLN  54          2HG       GLN  54  -7.429  -3.568  -9.442
  410   1HE2  GLN  54          2HE2      GLN  54  -5.760  -1.136 -10.431
  411   2HE2  GLN  54          1HE2      GLN  54  -6.436   0.184  -9.504
  412    H    LEU  55           H        LEU  55  -6.749  -5.192  -5.063
  413    HA   LEU  55           HA       LEU  55  -4.575  -6.953  -4.767
  414   1HB   LEU  55          1HB       LEU  55  -6.750  -5.949  -3.066
  415   2HB   LEU  55          2HB       LEU  55  -5.887  -7.367  -2.505
  416    HG   LEU  55           HG       LEU  55  -4.197  -5.195  -3.401
  417   1HD1  LEU  55          1HD1      LEU  55  -5.876  -3.761  -2.431
  418   2HD1  LEU  55          2HD1      LEU  55  -5.857  -4.734  -0.920
  419   3HD1  LEU  55          3HD1      LEU  55  -4.407  -3.785  -1.396
  420   1HD2  LEU  55          1HD2      LEU  55  -4.187  -6.898  -0.913
  421   2HD2  LEU  55          2HD2      LEU  55  -3.221  -7.149  -2.409
  422   3HD2  LEU  55          3HD2      LEU  55  -2.913  -5.715  -1.369
  423    H    LYS  56           H        LYS  56  -8.046  -7.652  -5.015
  424    HA   LYS  56           HA       LYS  56  -7.796 -10.456  -4.672
  425   1HB   LYS  56          1HB       LYS  56  -9.887  -9.143  -4.472
  426   2HB   LYS  56          2HB       LYS  56  -9.899  -8.978  -6.216
  427   1HG   LYS  56          1HG       LYS  56 -10.977 -10.916  -6.347
  428   2HG   LYS  56          2HG       LYS  56  -9.554 -11.711  -5.702
  429   1HD   LYS  56          1HD       LYS  56 -11.233 -10.423  -3.683
  430   2HD   LYS  56          2HD       LYS  56 -12.009 -11.744  -4.532
  431   1HE   LYS  56          1HE       LYS  56  -9.342 -12.539  -3.895
  432   2HE   LYS  56          2HE       LYS  56 -10.085 -11.901  -2.442
  433   1HZ   LYS  56          1HZ       LYS  56 -11.924 -13.378  -2.792
  434   2HZ   LYS  56          2HZ       LYS  56 -11.221 -13.981  -4.166
  435   3HZ   LYS  56          3HZ       LYS  56 -10.509 -14.233  -2.692
  436    H    ASN  57           H        ASN  57  -6.709  -8.504  -7.197
  437    HA   ASN  57           HA       ASN  57  -6.723 -10.670  -9.160
  438   1HB   ASN  57          1HB       ASN  57  -6.628  -7.840  -9.253
  439   2HB   ASN  57          2HB       ASN  57  -5.133  -8.438  -9.941
  440   1HD2  ASN  57          2HD2      ASN  57  -6.837  -7.033 -11.498
  441   2HD2  ASN  57          1HD2      ASN  57  -7.627  -8.090 -12.647
  442    H    LEU  58           H        LEU  58  -4.624  -9.193  -6.818
  443    HA   LEU  58           HA       LEU  58  -2.180 -10.146  -7.895
  444   1HB   LEU  58          1HB       LEU  58  -3.087  -8.775  -5.509
  445   2HB   LEU  58          2HB       LEU  58  -1.762  -9.880  -5.196
  446    HG   LEU  58           HG       LEU  58  -1.806  -7.498  -6.996
  447   1HD1  LEU  58          1HD1      LEU  58  -1.232  -7.126  -4.621
  448   2HD1  LEU  58          2HD1      LEU  58   0.036  -8.396  -4.744
  449   3HD1  LEU  58          3HD1      LEU  58   0.196  -6.871  -5.683
  450   1HD2  LEU  58          1HD2      LEU  58   0.294  -9.669  -6.855
  451   2HD2  LEU  58          2HD2      LEU  58  -0.788  -9.339  -8.252
  452   3HD2  LEU  58          3HD2      LEU  58   0.435  -8.119  -7.754
  453    H    ASP  59           H        ASP  59  -0.847 -11.496  -5.991
  454    HA   ASP  59           HA       ASP  59  -2.229 -14.110  -6.028
  455   1HB   ASP  59          1HB       ASP  59   0.354 -13.311  -6.677
  456   2HB   ASP  59          2HB       ASP  59   0.518 -14.103  -5.123
  457    H    GLU  60           H        GLU  60  -2.330 -15.416  -4.163
  458    HA   GLU  60           HA       GLU  60  -2.715 -14.051  -1.703
  459   1HB   GLU  60          1HB       GLU  60  -3.108 -16.667  -2.718
  460   2HB   GLU  60          2HB       GLU  60  -2.231 -16.799  -1.207
  461   1HG   GLU  60          1HG       GLU  60  -3.992 -16.073   0.023
  462   2HG   GLU  60          2HG       GLU  60  -4.468 -14.889  -1.177
  463    H    LYS  61           H        LYS  61   0.118 -15.086  -3.222
  464    HA   LYS  61           HA       LYS  61   1.619 -15.012  -0.713
  465   1HB   LYS  61          1HB       LYS  61   1.978 -16.291  -3.314
  466   2HB   LYS  61          2HB       LYS  61   3.431 -15.544  -2.683
  467   1HG   LYS  61          1HG       LYS  61   1.857 -17.091  -0.728
  468   2HG   LYS  61          2HG       LYS  61   2.606 -18.035  -1.999
  469   1HD   LYS  61          1HD       LYS  61   4.746 -16.704  -1.431
  470   2HD   LYS  61          2HD       LYS  61   3.920 -16.290   0.057
  471   1HE   LYS  61          1HE       LYS  61   3.853 -18.524   0.781
  472   2HE   LYS  61          2HE       LYS  61   4.141 -19.149  -0.830
  473   1HZ   LYS  61          1HZ       LYS  61   6.358 -18.273  -0.721
  474   2HZ   LYS  61          2HZ       LYS  61   6.085 -17.682   0.802
  475   3HZ   LYS  61          3HZ       LYS  61   6.088 -19.317   0.536
  476    H    CYS  62           H        CYS  62   0.680 -12.949  -3.236
  477    HA   CYS  62           HA       CYS  62   2.935 -11.133  -2.753
  478   1HB   CYS  62          1HB       CYS  62   0.670 -10.928  -4.696
  479   2HB   CYS  62          2HB       CYS  62   2.093  -9.906  -4.631
  480    H    MET  63           H        MET  63  -0.238 -11.785  -1.676
  481    HA   MET  63           HA       MET  63  -0.864  -9.021  -1.037
  482   1HB   MET  63          1HB       MET  63  -2.208 -11.642  -0.497
  483   2HB   MET  63          2HB       MET  63  -2.849 -10.098   0.025
  484   1HG   MET  63          1HG       MET  63  -3.512  -9.515  -2.056
  485   2HG   MET  63          2HG       MET  63  -2.156 -10.313  -2.827
  486   1HE   MET  63          1HE       MET  63  -4.270 -12.144  -0.159
  487   2HE   MET  63          2HE       MET  63  -5.488 -11.001  -0.827
  488   3HE   MET  63          3HE       MET  63  -5.660 -12.768  -1.112
  489    H    CYS  64           H        CYS  64   1.352  -9.045   0.184
  490    HA   CYS  64           HA       CYS  64   1.000  -8.770   2.887
  491   1HB   CYS  64          1HB       CYS  64   0.753 -10.851   3.681
  492   2HB   CYS  64          2HB       CYS  64   1.359 -11.587   2.211
  493    HA   PRO  65           HA       PRO  65   5.603  -8.978   1.894
  494   1HB   PRO  65          1HB       PRO  65   6.420 -10.172  -0.463
  495   2HB   PRO  65          2HB       PRO  65   6.382 -10.975   1.093
  496   1HG   PRO  65          1HG       PRO  65   4.602 -11.317  -1.203
  497   2HG   PRO  65          2HG       PRO  65   4.842 -12.372   0.175
  498   1HD   PRO  65          1HD       PRO  65   2.674 -10.618  -0.283
  499   2HD   PRO  65          2HD       PRO  65   2.978 -11.579   1.150
  500    H    ALA  66           H        ALA  66   3.380  -8.574  -0.809
  501    HA   ALA  66           HA       ALA  66   4.978  -6.665  -2.214
  502   1HB   ALA  66          1HB       ALA  66   3.248  -7.983  -3.346
  503   2HB   ALA  66          2HB       ALA  66   2.000  -7.222  -2.299
  504   3HB   ALA  66          3HB       ALA  66   2.914  -6.221  -3.479
  505    H    ILE  67           H        ILE  67   2.033  -6.342  -0.166
  506    HA   ILE  67           HA       ILE  67   1.781  -3.641  -0.061
  507    HB   ILE  67           HB       ILE  67   1.571  -5.549   2.229
  508   1HG1  ILE  67          1HG1      ILE  67  -0.249  -4.732   0.024
  509   2HG1  ILE  67          2HG1      ILE  67   0.090  -6.332   0.652
  510   1HG2  ILE  67          1HG2      ILE  67   1.794  -3.269   3.074
  511   2HG2  ILE  67          2HG2      ILE  67   0.491  -2.725   1.959
  512   3HG2  ILE  67          3HG2      ILE  67   0.111  -3.861   3.301
  513   1HD1  ILE  67          1HD1      ILE  67  -1.143  -5.808   2.717
  514   2HD1  ILE  67          2HD1      ILE  67  -1.491  -4.166   2.073
  515   3HD1  ILE  67          3HD1      ILE  67  -2.181  -5.615   1.261
  516    H    MET  68           H        MET  68   3.982  -5.507   2.062
  517    HA   MET  68           HA       MET  68   5.226  -3.534   3.444
  518   1HB   MET  68          1HB       MET  68   6.184  -6.038   2.213
  519   2HB   MET  68          2HB       MET  68   7.386  -4.929   2.844
  520   1HG   MET  68          1HG       MET  68   6.721  -5.223   5.005
  521   2HG   MET  68          2HG       MET  68   5.049  -5.506   4.563
  522   1HE   MET  68          1HE       MET  68   7.031  -7.090   6.682
  523   2HE   MET  68          2HE       MET  68   5.259  -7.368   6.559
  524   3HE   MET  68          3HE       MET  68   6.396  -8.756   6.459
  525    H    MET  69           H        MET  69   6.186  -4.477   0.142
  526    HA   MET  69           HA       MET  69   7.992  -2.306  -0.229
  527   1HB   MET  69          1HB       MET  69   6.604  -4.188  -2.111
  528   2HB   MET  69          2HB       MET  69   7.766  -2.989  -2.641
  529   1HG   MET  69          1HG       MET  69   8.314  -5.130  -0.595
  530   2HG   MET  69          2HG       MET  69   8.793  -5.208  -2.279
  531   1HE   MET  69          1HE       MET  69  10.996  -5.706  -0.299
  532   2HE   MET  69          2HE       MET  69  11.290  -5.452  -2.055
  533   3HE   MET  69          3HE       MET  69  12.282  -4.572  -0.841
  534    H    MET  70           H        MET  70   4.545  -2.703  -0.961
  535    HA   MET  70           HA       MET  70   4.159  -0.562  -2.674
  536   1HB   MET  70          1HB       MET  70   1.999  -1.023  -2.321
  537   2HB   MET  70          2HB       MET  70   2.618  -2.372  -1.390
  538   1HG   MET  70          1HG       MET  70   1.081  -1.475   0.052
  539   2HG   MET  70          2HG       MET  70   2.559  -0.699   0.584
  540   1HE   MET  70          1HE       MET  70  -0.796  -0.026   0.666
  541   2HE   MET  70          2HE       MET  70   0.398   0.718   1.785
  542   3HE   MET  70          3HE       MET  70  -0.676   1.764   0.792
  543    H    LEU  71           H        LEU  71   4.719  -0.568   0.798
  544    HA   LEU  71           HA       LEU  71   4.189   2.308   0.940
  545   1HB   LEU  71          1HB       LEU  71   4.676   0.218   3.033
  546   2HB   LEU  71          2HB       LEU  71   4.501   1.924   3.388
  547    HG   LEU  71           HG       LEU  71   2.347   0.785   1.821
  548   1HD1  LEU  71          1HD1      LEU  71   2.761  -1.165   3.183
  549   2HD1  LEU  71          2HD1      LEU  71   2.735  -0.148   4.665
  550   3HD1  LEU  71          3HD1      LEU  71   1.238  -0.356   3.692
  551   1HD2  LEU  71          1HD2      LEU  71   2.391   2.459   4.331
  552   2HD2  LEU  71          2HD2      LEU  71   2.218   3.054   2.644
  553   3HD2  LEU  71          3HD2      LEU  71   0.926   2.040   3.376
  554    H    ASN  72           H        ASN  72   6.466   0.988  -0.446
  555    HA   ASN  72           HA       ASN  72   8.643   2.510   0.815
  556   1HB   ASN  72          1HB       ASN  72   8.748  -0.234  -0.400
  557   2HB   ASN  72          2HB       ASN  72  10.174   0.741  -0.109
  558   1HD2  ASN  72          2HD2      ASN  72   9.767   1.870   2.306
  559   2HD2  ASN  72          1HD2      ASN  72   9.651   0.624   3.529
  560    H    GLU  73           H        GLU  73   6.584   2.464  -1.636
  561    HA   GLU  73           HA       GLU  73   8.461   2.888  -3.806
  562   1HB   GLU  73          1HB       GLU  73   5.629   2.385  -3.545
  563   2HB   GLU  73          2HB       GLU  73   5.942   3.709  -4.650
  564   1HG   GLU  73          1HG       GLU  73   7.550   2.315  -5.871
  565   2HG   GLU  73          2HG       GLU  73   7.250   0.993  -4.762
  566    HA   PRO  74           HA       PRO  74   8.668   7.247  -3.638
  567   1HB   PRO  74          1HB       PRO  74   8.327   8.019  -6.268
  568   2HB   PRO  74          2HB       PRO  74   9.818   7.386  -5.601
  569   1HG   PRO  74          1HG       PRO  74   7.903   6.082  -7.407
  570   2HG   PRO  74          2HG       PRO  74   9.569   5.655  -7.074
  571   1HD   PRO  74          1HD       PRO  74   7.237   4.407  -6.052
  572   2HD   PRO  74          2HD       PRO  74   8.902   4.052  -5.633
  573    H    MET  75           H        MET  75   6.208   6.409  -2.792
  574    HA   MET  75           HA       MET  75   4.622   8.730  -3.264
  575   1HB   MET  75          1HB       MET  75   4.143   7.179  -5.255
  576   2HB   MET  75          2HB       MET  75   3.360   6.130  -4.090
  577   1HG   MET  75          1HG       MET  75   1.520   7.348  -4.511
  578   2HG   MET  75          2HG       MET  75   2.265   8.554  -3.480
  579   1HE   MET  75          1HE       MET  75   2.409  10.883  -4.097
  580   2HE   MET  75          2HE       MET  75   4.069  10.341  -4.526
  581   3HE   MET  75          3HE       MET  75   3.162  11.425  -5.637
  582    H    TRP  76           H        TRP  76   5.901   6.982  -1.133
  583    HA   TRP  76           HA       TRP  76   3.758   7.197   0.755
  584   1HB   TRP  76          1HB       TRP  76   4.672   4.469  -0.097
  585   2HB   TRP  76          2HB       TRP  76   3.861   4.774   1.427
  586    HD1  TRP  76           HD       TRP  76   3.119   3.524  -1.838
  587    HE1  TRP  76           1HE      TRP  76   0.645   3.881  -2.527
  588    HE3  TRP  76           3HE      TRP  76   1.802   6.970   1.629
  589    HZ2  TRP  76           2HZ      TRP  76  -1.549   5.476  -1.724
  590    HZ3  TRP  76           3HZ      TRP  76  -0.484   7.924   1.668
  591    HH2  TRP  76           HH       TRP  76  -2.174   7.158   0.013
  592    H    ILE  77           H        ILE  77   5.240   8.661   1.667
  593    HA   ILE  77           HA       ILE  77   7.650   7.372   2.798
  594    HB   ILE  77           HB       ILE  77   7.622  10.272   2.245
  595   1HG1  ILE  77          1HG1      ILE  77   7.041   9.413   0.118
  596   2HG1  ILE  77          2HG1      ILE  77   8.735   9.855   0.091
  597   1HG2  ILE  77          1HG2      ILE  77   9.361   9.412   3.701
  598   2HG2  ILE  77          2HG2      ILE  77   9.816   8.193   2.460
  599   3HG2  ILE  77          3HG2      ILE  77  10.073   9.944   2.137
  600   1HD1  ILE  77          1HD1      ILE  77   9.381   7.492   0.418
  601   2HD1  ILE  77          2HD1      ILE  77   7.642   7.038   0.445
  602   3HD1  ILE  77          3HD1      ILE  77   8.374   7.701  -1.056
  603    H    ARG  78           H        ARG  78   7.882  10.299   4.117
  604    HA   ARG  78           HA       ARG  78   6.975   9.607   6.649
  605   1HB   ARG  78          1HB       ARG  78   7.322  12.240   5.271
  606   2HB   ARG  78          2HB       ARG  78   6.840  12.134   6.953
  607   1HG   ARG  78          1HG       ARG  78   8.983  11.894   7.532
  608   2HG   ARG  78          2HG       ARG  78   9.045  10.400   6.620
  609   1HD   ARG  78          1HD       ARG  78  10.226  11.342   4.949
  610   2HD   ARG  78          2HD       ARG  78   9.224  12.779   4.937
  611    HE   ARG  78           HE       ARG  78  11.733  12.386   6.370
  612   1HH1  ARG  78          1HH2      ARG  78   8.821  14.341   6.105
  613   2HH1  ARG  78          2HH2      ARG  78   9.529  15.700   6.950
  614   1HH2  ARG  78          1HH1      ARG  78  12.599  14.154   7.474
  615   2HH2  ARG  78          2HH1      ARG  78  11.636  15.595   7.713
  616    H    MET  79           H        MET  79   5.128  10.637   3.926
  617    HA   MET  79           HA       MET  79   2.761  11.327   5.407
  618   1HB   MET  79          1HB       MET  79   1.754  11.079   3.066
  619   2HB   MET  79          2HB       MET  79   2.929  12.354   3.317
  620   1HG   MET  79          1HG       MET  79   4.627  11.155   2.199
  621   2HG   MET  79          2HG       MET  79   3.732   9.651   2.284
  622   1HE   MET  79          1HE       MET  79   3.756   8.918  -0.064
  623   2HE   MET  79          2HE       MET  79   2.116   8.817   0.668
  624   3HE   MET  79          3HE       MET  79   2.311   9.383  -1.027
  625    H    ARG  80           H        ARG  80   4.046   8.363   3.917
  626    HA   ARG  80           HA       ARG  80   1.611   6.909   4.224
  627   1HB   ARG  80          1HB       ARG  80   2.822   5.039   3.587
  628   2HB   ARG  80          2HB       ARG  80   3.541   6.371   2.706
  629   1HG   ARG  80          1HG       ARG  80   5.519   6.034   3.635
  630   2HG   ARG  80          2HG       ARG  80   4.829   5.977   5.244
  631   1HD   ARG  80          1HD       ARG  80   4.147   3.599   4.589
  632   2HD   ARG  80          2HD       ARG  80   5.377   3.777   3.354
  633    HE   ARG  80           HE       ARG  80   5.804   3.334   6.149
  634   1HH1  ARG  80          1HH2      ARG  80   7.173   5.063   3.410
  635   2HH1  ARG  80          2HH2      ARG  80   8.787   5.053   4.084
  636   1HH2  ARG  80          1HH1      ARG  80   7.880   3.335   6.971
  637   2HH2  ARG  80          2HH1      ARG  80   9.183   4.085   6.076
  638    H    ASP  81           H        ASP  81   4.067   7.843   6.450
  639    HA   ASP  81           HA       ASP  81   4.237   5.765   8.235
  640   1HB   ASP  81          1HB       ASP  81   4.877   8.433   8.241
  641   2HB   ASP  81          2HB       ASP  81   3.723   8.305   9.553
  642    H    GLN  82           H        GLN  82   1.548   7.882   7.619
  643    HA   GLN  82           HA       GLN  82  -0.031   6.818   9.801
  644   1HB   GLN  82          1HB       GLN  82  -0.045   9.176   8.561
  645   2HB   GLN  82          2HB       GLN  82  -1.304   8.360   7.657
  646   1HG   GLN  82          1HG       GLN  82  -2.153   7.663  10.015
  647   2HG   GLN  82          2HG       GLN  82  -1.193   9.025  10.555
  648   1HE2  GLN  82          2HE2      GLN  82  -1.838  11.090  10.166
  649   2HE2  GLN  82          1HE2      GLN  82  -3.387  11.494   9.461
  650    H    VAL  83           H        VAL  83  -0.130   6.673   6.255
  651    HA   VAL  83           HA       VAL  83  -2.291   4.868   6.126
  652    HB   VAL  83           HB       VAL  83  -1.898   4.689   3.883
  653   1HG1  VAL  83          1HG1      VAL  83  -2.341   6.982   4.486
  654   2HG1  VAL  83          2HG1      VAL  83  -0.579   7.273   4.696
  655   3HG1  VAL  83          3HG1      VAL  83  -1.242   6.902   3.065
  656   1HG2  VAL  83          1HG2      VAL  83   1.025   5.302   4.310
  657   2HG2  VAL  83          2HG2      VAL  83   0.319   3.696   3.920
  658   3HG2  VAL  83          3HG2      VAL  83   0.222   5.036   2.724
  659    H    MET  84           H        MET  84   0.798   4.372   7.341
  660    HA   MET  84           HA       MET  84   1.273   1.701   6.489
  661   1HB   MET  84          1HB       MET  84   2.537   3.708   8.106
  662   2HB   MET  84          2HB       MET  84   2.503   2.186   8.972
  663   1HG   MET  84          1HG       MET  84   3.340   1.198   6.722
  664   2HG   MET  84          2HG       MET  84   3.814   2.850   6.383
  665   1HE   MET  84          1HE       MET  84   5.436   4.281   7.861
  666   2HE   MET  84          2HE       MET  84   4.438   3.900   9.308
  667   3HE   MET  84          3HE       MET  84   6.220   3.660   9.356
  668    H    SER  85           H        SER  85   0.133   3.167   9.554
  669    HA   SER  85           HA       SER  85  -0.700   0.609  10.607
  670   1HB   SER  85          1HB       SER  85   0.048   2.562  11.995
  671   2HB   SER  85          2HB       SER  85  -1.472   3.336  11.596
  672    HG   SER  85           HG       SER  85  -1.588   2.147  13.579
  673    H    MET  86           H        MET  86  -1.914   2.149   8.076
  674    HA   MET  86           HA       MET  86  -4.717   1.554   8.798
  675   1HB   MET  86          1HB       MET  86  -3.553   3.561   6.914
  676   2HB   MET  86          2HB       MET  86  -5.254   3.140   6.953
  677   1HG   MET  86          1HG       MET  86  -3.710   4.233   9.287
  678   2HG   MET  86          2HG       MET  86  -4.735   5.186   8.232
  679   1HE   MET  86          1HE       MET  86  -4.431   3.178  11.353
  680   2HE   MET  86          2HE       MET  86  -4.910   4.908  11.444
  681   3HE   MET  86          3HE       MET  86  -6.029   3.632  12.039
  682    H    ALA  87           H        ALA  87  -2.244   1.389   6.298
  683    HA   ALA  87           HA       ALA  87  -3.818  -0.361   4.623
  684   1HB   ALA  87          1HB       ALA  87  -2.379   1.329   3.584
  685   2HB   ALA  87          2HB       ALA  87  -0.949   0.613   4.407
  686   3HB   ALA  87          3HB       ALA  87  -1.829  -0.327   3.152
  687    H    HIS  88           H        HIS  88  -2.615  -0.930   7.489
  688    HA   HIS  88           HA       HIS  88  -1.378  -3.500   6.775
  689   1HB   HIS  88          1HB       HIS  88  -0.379  -3.528   8.849
  690   2HB   HIS  88          2HB       HIS  88  -0.279  -1.852   8.352
  691    HD1  HIS  88           1HD      HIS  88  -0.369  -3.201  11.407
  692    HD2  HIS  88           2HD      HIS  88  -3.281  -0.947   9.346
  693    HE1  HIS  88           1HE      HIS  88  -1.895  -2.142  13.194
  694    HE2  HIS  88           2HE      HIS  88  -3.684  -0.822  11.928
  695    H    ASN  89           H        ASN  89  -4.194  -2.035   8.185
  696    HA   ASN  89           HA       ASN  89  -5.287  -4.697   8.861
  697   1HB   ASN  89          1HB       ASN  89  -5.735  -1.950   9.899
  698   2HB   ASN  89          2HB       ASN  89  -7.079  -3.074   9.915
  699   1HD2  ASN  89          2HD2      ASN  89  -3.629  -3.801  10.307
  700   2HD2  ASN  89          1HD2      ASN  89  -3.753  -4.386  11.951
  701    H    LEU  90           H        LEU  90  -5.553  -1.948   6.767
  702    HA   LEU  90           HA       LEU  90  -8.172  -2.342   5.837
  703   1HB   LEU  90          1HB       LEU  90  -5.731  -1.043   4.793
  704   2HB   LEU  90          2HB       LEU  90  -7.050  -1.343   3.679
  705    HG   LEU  90           HG       LEU  90  -7.194   0.257   6.210
  706   1HD1  LEU  90          1HD1      LEU  90  -5.963   1.382   4.427
  707   2HD1  LEU  90          2HD1      LEU  90  -7.322   1.067   3.294
  708   3HD1  LEU  90          3HD1      LEU  90  -7.557   2.169   4.694
  709   1HD2  LEU  90          1HD2      LEU  90  -9.332  -0.308   4.142
  710   2HD2  LEU  90          2HD2      LEU  90  -9.290  -0.940   5.825
  711   3HD2  LEU  90          3HD2      LEU  90  -9.487   0.823   5.531
  712    HA   PRO  91           HA       PRO  91  -6.412  -5.324   2.619
  713   1HB   PRO  91          1HB       PRO  91  -3.895  -6.358   3.023
  714   2HB   PRO  91          2HB       PRO  91  -4.246  -5.006   1.965
  715   1HG   PRO  91          1HG       PRO  91  -2.958  -5.006   4.591
  716   2HG   PRO  91          2HG       PRO  91  -2.946  -3.764   3.356
  717   1HD   PRO  91          1HD       PRO  91  -4.473  -3.816   5.730
  718   2HD   PRO  91          2HD       PRO  91  -4.534  -2.625   4.446
  719    H    ILE  92           H        ILE  92  -5.450  -5.744   6.029
  720    HA   ILE  92           HA       ILE  92  -5.733  -8.586   6.019
  721    HB   ILE  92           HB       ILE  92  -5.586  -6.439   8.026
  722   1HG1  ILE  92          1HG1      ILE  92  -3.937  -8.628   7.034
  723   2HG1  ILE  92          2HG1      ILE  92  -3.487  -7.029   7.588
  724   1HG2  ILE  92          1HG2      ILE  92  -7.376  -7.803   8.932
  725   2HG2  ILE  92          2HG2      ILE  92  -6.370  -9.278   8.715
  726   3HG2  ILE  92          3HG2      ILE  92  -5.872  -8.016   9.893
  727   1HD1  ILE  92          1HD1      ILE  92  -3.725  -7.747   9.930
  728   2HD1  ILE  92          2HD1      ILE  92  -4.186  -9.389   9.361
  729   3HD1  ILE  92          3HD1      ILE  92  -2.533  -8.758   9.042
  730    H    GLU  93           H        GLU  93  -7.959  -5.929   6.847
  731    HA   GLU  93           HA       GLU  93 -10.136  -7.584   7.593
  732   1HB   GLU  93          1HB       GLU  93  -9.825  -4.749   6.751
  733   2HB   GLU  93          2HB       GLU  93 -11.439  -5.432   6.780
  734   1HG   GLU  93          1HG       GLU  93 -10.127  -6.193   9.187
  735   2HG   GLU  93          2HG       GLU  93  -9.894  -4.470   8.971
  736    H    CYS  94           H        CYS  94  -8.792  -6.848   4.515
  737    HA   CYS  94           HA       CYS  94 -11.158  -7.836   3.123
  738   1HB   CYS  94          1HB       CYS  94  -8.650  -6.490   2.378
  739   2HB   CYS  94          2HB       CYS  94  -9.366  -7.562   1.190
  740    H    ASN  95           H        ASN  95  -8.439  -9.142   4.601
  741    HA   ASN  95           HA       ASN  95  -7.779 -11.314   4.813
  742   1HB   ASN  95          1HB       ASN  95 -10.159 -11.779   3.780
  743   2HB   ASN  95          2HB       ASN  95  -9.226 -12.181   2.352
  744   1HD2  ASN  95          2HD2      ASN  95  -7.068 -13.500   3.150
  745   2HD2  ASN  95          1HD2      ASN  95  -7.486 -14.910   4.098
  746    H    LEU  96           H        LEU  96  -6.682  -9.130   3.079
  747    HA   LEU  96           HA       LEU  96  -5.450 -10.483   0.865
  748   1HB   LEU  96          1HB       LEU  96  -4.733  -7.790   1.894
  749   2HB   LEU  96          2HB       LEU  96  -4.503  -8.441   0.284
  750    HG   LEU  96           HG       LEU  96  -7.111  -7.739   1.565
  751   1HD1  LEU  96          1HD1      LEU  96  -5.844  -5.781   0.983
  752   2HD1  LEU  96          2HD1      LEU  96  -5.593  -6.425  -0.677
  753   3HD1  LEU  96          3HD1      LEU  96  -7.244  -5.975  -0.126
  754   1HD2  LEU  96          1HD2      LEU  96  -6.596  -8.799  -1.212
  755   2HD2  LEU  96          2HD2      LEU  96  -7.431  -9.658   0.129
  756   3HD2  LEU  96          3HD2      LEU  96  -8.170  -8.188  -0.596
  757    H    MET  97           H        MET  97  -4.259  -8.917   3.820
  758    HA   MET  97           HA       MET  97  -2.051 -10.880   3.800
  759   1HB   MET  97          1HB       MET  97  -0.546  -9.228   4.577
  760   2HB   MET  97          2HB       MET  97  -1.386  -8.554   3.195
  761   1HG   MET  97          1HG       MET  97  -2.806  -7.252   4.608
  762   2HG   MET  97          2HG       MET  97  -2.192  -8.047   6.043
  763   1HE   MET  97          1HE       MET  97  -0.937  -6.672   7.596
  764   2HE   MET  97          2HE       MET  97   0.285  -7.811   6.932
  765   3HE   MET  97          3HE       MET  97   0.701  -6.075   7.154
  766    H    SER  98           H        SER  98  -4.705 -10.927   5.146
  767    HA   SER  98           HA       SER  98  -4.895 -10.300   7.730
  768   1HB   SER  98          1HB       SER  98  -5.951 -12.538   8.163
  769   2HB   SER  98          2HB       SER  98  -6.608 -11.617   6.826
  770    HG   SER  98           HG       SER  98  -6.203 -13.820   6.257
  771    H    GLN  99           H        GLN  99  -3.576 -13.535   7.116
  772    HA   GLN  99           HA       GLN  99  -1.188 -12.870   8.602
  773   1HB   GLN  99          1HB       GLN  99  -3.380 -13.723  10.024
  774   2HB   GLN  99          2HB       GLN  99  -2.454 -15.195   9.809
  775   1HG   GLN  99          1HG       GLN  99  -0.484 -13.453  10.468
  776   2HG   GLN  99          2HG       GLN  99  -1.822 -12.794  11.387
  777   1HE2  GLN  99          2HE2      GLN  99  -0.493 -16.018  10.547
  778   2HE2  GLN  99          1HE2      GLN  99  -0.639 -16.679  12.160
  779    HA   PRO 100           HA       PRO 100  -1.059 -16.274   5.414
  780   1HB   PRO 100          1HB       PRO 100   0.297 -14.932   3.423
  781   2HB   PRO 100          2HB       PRO 100  -1.441 -15.146   3.471
  782   1HG   PRO 100          1HG       PRO 100   0.129 -12.728   3.968
  783   2HG   PRO 100          2HG       PRO 100  -1.584 -12.879   3.639
  784   1HD   PRO 100          1HD       PRO 100  -0.341 -12.423   6.148
  785   2HD   PRO 100          2HD       PRO 100  -2.049 -12.651   5.829
  786    H    CYS 101           H        CYS 101   1.596 -13.821   5.181
  787    HA   CYS 101           HA       CYS 101   3.585 -15.879   5.480
  788   1HB   CYS 101          1HB       CYS 101   4.196 -13.004   5.819
  789   2HB   CYS 101          2HB       CYS 101   5.106 -14.252   4.991
  790    H    GLN 102           H        GLN 102   4.393 -16.685   7.289
  791    HA   GLN 102           HA       GLN 102   4.028 -15.144   9.791
  792   1HB   GLN 102          1HB       GLN 102   3.729 -18.111   9.430
  793   2HB   GLN 102          2HB       GLN 102   3.681 -17.270  10.966
  794   1HG   GLN 102          1HG       GLN 102   1.545 -16.654  10.666
  795   2HG   GLN 102          2HG       GLN 102   1.860 -16.101   9.034
  796   1HE2  GLN 102          2HE2      GLN 102   0.139 -18.273  10.839
  797   2HE2  GLN 102          1HE2      GLN 102  -0.143 -19.510   9.636
  798    H    MET 103           H        MET 103   5.446 -16.340  11.573
  799    HA   MET 103           HA       MET 103   8.094 -15.808  11.137
  800   1HB   MET 103          1HB       MET 103   6.535 -17.049  13.122
  801   2HB   MET 103          2HB       MET 103   7.916 -18.088  12.842
  802   1HG   MET 103          1HG       MET 103   9.390 -16.096  13.120
  803   2HG   MET 103          2HG       MET 103   7.973 -15.167  13.565
  804   1HE   MET 103          1HE       MET 103  10.891 -17.072  14.765
  805   2HE   MET 103          2HE       MET 103  10.574 -15.404  15.359
  806   3HE   MET 103          3HE       MET 103  10.615 -16.778  16.518
  Start of MODEL    4
    1    HA   PRO   1           HA       PRO   1   6.310  -7.184   8.675
    2   1HB   PRO   1          1HB       PRO   1   4.248  -7.219   6.884
    3   2HB   PRO   1          2HB       PRO   1   5.911  -7.593   6.480
    4   1HG   PRO   1          1HG       PRO   1   3.622  -9.425   6.774
    5   2HG   PRO   1          2HG       PRO   1   5.144  -9.690   5.949
    6   1HD   PRO   1          1HD       PRO   1   4.382 -10.600   8.546
    7   2HD   PRO   1          2HD       PRO   1   5.910 -10.853   7.725
    8    H    TYR   2           H        TYR   2   5.719  -6.417  10.662
    9    HA   TYR   2           HA       TYR   2   2.946  -5.593  10.999
   10   1HB   TYR   2          1HB       TYR   2   2.742  -6.642  13.222
   11   2HB   TYR   2          2HB       TYR   2   2.825  -7.803  11.913
   12    HD1  TYR   2           1HD      TYR   2   5.029  -8.986  11.448
   13    HD2  TYR   2           2HD      TYR   2   4.272  -6.722  15.038
   14    HE1  TYR   2           1HE      TYR   2   7.018 -10.059  12.531
   15    HE2  TYR   2           2HE      TYR   2   6.182  -7.883  16.170
   16    HH   TYR   2           HH       TYR   2   7.885  -9.304  15.904
   17    H    GLY   3           H        GLY   3   5.675  -4.401  10.705
   18   1HA   GLY   3          1HA       GLY   3   5.516  -2.123  12.200
   19   2HA   GLY   3          2HA       GLY   3   6.344  -3.232  13.273
   20    H    ARG   4           H        ARG   4   8.054  -4.618  11.842
   21    HA   ARG   4           HA       ARG   4   9.504  -2.803  10.016
   22   1HB   ARG   4          1HB       ARG   4  10.307  -2.863  12.540
   23   2HB   ARG   4          2HB       ARG   4  11.098  -4.331  12.003
   24   1HG   ARG   4          1HG       ARG   4  12.759  -2.893  11.410
   25   2HG   ARG   4          2HG       ARG   4  11.770  -2.676   9.980
   26   1HD   ARG   4          1HD       ARG   4  11.913  -0.481  10.528
   27   2HD   ARG   4          2HD       ARG   4  10.621  -0.879  11.642
   28    HE   ARG   4           HE       ARG   4  13.209  -1.350  12.807
   29   1HH1  ARG   4          1HH2      ARG   4  10.887   1.206  12.172
   30   2HH1  ARG   4          2HH2      ARG   4  11.523   2.220  13.447
   31   1HH2  ARG   4          1HH1      ARG   4  13.990  -0.003  14.403
   32   2HH2  ARG   4          2HH1      ARG   4  13.239   1.551  14.680
   33    H    GLY   5           H        GLY   5  10.514  -3.787   8.359
   34   1HA   GLY   5          1HA       GLY   5  11.533  -6.338   8.164
   35   2HA   GLY   5          2HA       GLY   5   9.840  -6.519   7.752
   36    H    ARG   6           H        ARG   6  11.963  -6.992   5.977
   37    HA   ARG   6           HA       ARG   6  11.106  -5.582   3.663
   38   1HB   ARG   6          1HB       ARG   6  12.894  -4.055   5.151
   39   2HB   ARG   6          2HB       ARG   6  13.908  -4.843   3.958
   40   1HG   ARG   6          1HG       ARG   6  12.607  -3.961   2.154
   41   2HG   ARG   6          2HG       ARG   6  11.366  -3.390   3.251
   42   1HD   ARG   6          1HD       ARG   6  12.509  -1.427   2.930
   43   2HD   ARG   6          2HD       ARG   6  13.406  -2.061   4.296
   44    HE   ARG   6           HE       ARG   6  14.317  -1.788   1.540
   45   1HH1  ARG   6          1HH2      ARG   6  15.057  -3.234   4.656
   46   2HH1  ARG   6          2HH2      ARG   6  16.723  -3.527   4.211
   47   1HH2  ARG   6          1HH1      ARG   6  16.443  -2.227   1.041
   48   2HH2  ARG   6          2HH1      ARG   6  17.480  -2.977   2.232
   49    H    THR   7           H        THR   7  11.994  -6.434   1.817
   50    HA   THR   7           HA       THR   7  14.125  -8.411   1.975
   51    HB   THR   7           HB       THR   7  12.593 -10.204   1.045
   52    HG1  THR   7           1HG      THR   7  10.390  -9.985   1.636
   53   1HG2  THR   7          1HG2      THR   7  13.389 -10.308   3.381
   54   2HG2  THR   7          2HG2      THR   7  12.009  -9.265   3.875
   55   3HG2  THR   7          3HG2      THR   7  11.703 -10.914   3.226
   56    H    GLU   8           H        GLU   8  13.950  -9.641  -0.374
   57    HA   GLU   8           HA       GLU   8  14.511  -7.653  -2.316
   58   1HB   GLU   8          1HB       GLU   8  13.983 -10.602  -2.566
   59   2HB   GLU   8          2HB       GLU   8  14.519  -9.597  -3.897
   60   1HG   GLU   8          1HG       GLU   8  16.056  -9.576  -1.332
   61   2HG   GLU   8          2HG       GLU   8  16.276 -10.904  -2.453
   62    H    SER   9           H        SER   9  13.405  -7.964  -4.604
   63    HA   SER   9           HA       SER   9  10.826  -6.892  -4.550
   64   1HB   SER   9          1HB       SER   9  11.309  -8.312  -6.997
   65   2HB   SER   9          2HB       SER   9  11.194  -6.588  -6.708
   66    HG   SER   9           HG       SER   9  13.226  -7.200  -7.565
   67    H    GLY  10           H        GLY  10   9.127  -8.116  -6.233
   68   1HA   GLY  10          1HA       GLY  10   8.808 -10.895  -5.963
   69   2HA   GLY  10          2HA       GLY  10   7.939 -10.157  -4.634
   70    H    CYS  11           H        CYS  11   6.121  -9.031  -4.955
   71    HA   CYS  11           HA       CYS  11   5.053  -8.987  -7.719
   72   1HB   CYS  11          1HB       CYS  11   3.895  -9.243  -5.044
   73   2HB   CYS  11          2HB       CYS  11   2.983  -8.281  -6.190
   74    H    TYR  12           H        TYR  12   6.382  -6.908  -5.346
   75    HA   TYR  12           HA       TYR  12   5.212  -4.473  -5.555
   76   1HB   TYR  12          1HB       TYR  12   7.144  -4.612  -4.322
   77   2HB   TYR  12          2HB       TYR  12   8.032  -5.386  -5.619
   78    HD1  TYR  12           1HD      TYR  12   9.743  -4.181  -6.506
   79    HD2  TYR  12           2HD      TYR  12   6.187  -2.107  -5.203
   80    HE1  TYR  12           1HE      TYR  12  10.710  -2.015  -7.297
   81    HE2  TYR  12           2HE      TYR  12   7.198   0.074  -5.913
   82    HH   TYR  12           HH       TYR  12   8.981   1.055  -6.841
   83    H    GLN  13           H        GLN  13   7.584  -5.655  -7.972
   84    HA   GLN  13           HA       GLN  13   7.318  -3.473  -9.735
   85   1HB   GLN  13          1HB       GLN  13   9.135  -5.055  -9.834
   86   2HB   GLN  13          2HB       GLN  13   8.028  -6.350 -10.245
   87   1HG   GLN  13          1HG       GLN  13   8.062  -5.802 -12.410
   88   2HG   GLN  13          2HG       GLN  13   7.722  -4.122 -12.050
   89   1HE2  GLN  13          2HE2      GLN  13   9.410  -5.249 -14.117
   90   2HE2  GLN  13          1HE2      GLN  13  11.017  -4.617 -13.838
   91    H    GLN  14           H        GLN  14   5.296  -6.317  -9.365
   92    HA   GLN  14           HA       GLN  14   3.704  -5.737 -11.745
   93   1HB   GLN  14          1HB       GLN  14   3.693  -7.883  -9.659
   94   2HB   GLN  14          2HB       GLN  14   2.344  -7.697 -10.761
   95   1HG   GLN  14          1HG       GLN  14   3.921  -9.337 -11.636
   96   2HG   GLN  14          2HG       GLN  14   3.881  -7.922 -12.670
   97   1HE2  GLN  14          2HE2      GLN  14   5.632  -8.653  -9.612
   98   2HE2  GLN  14          1HE2      GLN  14   7.218  -8.290 -10.254
   99    H    MET  15           H        MET  15   3.798  -4.842  -8.498
  100    HA   MET  15           HA       MET  15   0.998  -4.370  -8.045
  101   1HB   MET  15          1HB       MET  15   3.435  -3.460  -6.541
  102   2HB   MET  15          2HB       MET  15   1.792  -3.082  -6.063
  103   1HG   MET  15          1HG       MET  15   1.790  -5.828  -6.431
  104   2HG   MET  15          2HG       MET  15   3.315  -5.491  -5.635
  105   1HE   MET  15          1HE       MET  15   3.704  -4.602  -3.469
  106   2HE   MET  15          2HE       MET  15   3.010  -3.063  -4.089
  107   3HE   MET  15          3HE       MET  15   2.511  -3.690  -2.481
  108    H    GLU  16           H        GLU  16   3.840  -2.235  -8.540
  109    HA   GLU  16           HA       GLU  16   2.488   0.195  -8.718
  110   1HB   GLU  16          1HB       GLU  16   4.325   0.772 -10.428
  111   2HB   GLU  16          2HB       GLU  16   4.792   0.370  -8.788
  112   1HG   GLU  16          1HG       GLU  16   5.592  -1.724  -9.391
  113   2HG   GLU  16          2HG       GLU  16   4.677  -1.748 -10.885
  114    H    GLU  17           H        GLU  17   2.658  -2.382 -11.127
  115    HA   GLU  17           HA       GLU  17   1.395  -0.826 -13.210
  116   1HB   GLU  17          1HB       GLU  17   2.947  -2.893 -13.404
  117   2HB   GLU  17          2HB       GLU  17   1.469  -3.806 -13.176
  118   1HG   GLU  17          1HG       GLU  17   0.644  -3.239 -15.218
  119   2HG   GLU  17          2HG       GLU  17   1.330  -1.627 -15.161
  120    H    ALA  18           H        ALA  18   0.287  -2.776 -10.574
  121    HA   ALA  18           HA       ALA  18  -2.508  -2.487 -11.502
  122   1HB   ALA  18          1HB       ALA  18  -1.820  -4.830 -11.603
  123   2HB   ALA  18          2HB       ALA  18  -1.278  -4.746  -9.891
  124   3HB   ALA  18          3HB       ALA  18  -3.023  -4.583 -10.290
  125    H    GLU  19           H        GLU  19  -1.107  -0.543 -10.043
  126    HA   GLU  19           HA       GLU  19  -0.911  -0.323  -7.434
  127   1HB   GLU  19          1HB       GLU  19  -2.059   2.042  -7.805
  128   2HB   GLU  19          2HB       GLU  19  -0.430   1.653  -8.317
  129   1HG   GLU  19          1HG       GLU  19  -0.966   1.696 -10.524
  130   2HG   GLU  19          2HG       GLU  19  -2.608   1.148 -10.250
  131    H    MET  20           H        MET  20  -2.207  -1.746  -6.319
  132    HA   MET  20           HA       MET  20  -5.118  -1.371  -6.413
  133   1HB   MET  20          1HB       MET  20  -5.189  -3.492  -5.213
  134   2HB   MET  20          2HB       MET  20  -4.275  -3.609  -6.702
  135   1HG   MET  20          1HG       MET  20  -2.399  -2.947  -4.763
  136   2HG   MET  20          2HG       MET  20  -3.441  -4.130  -3.999
  137   1HE   MET  20          1HE       MET  20  -1.353  -3.254  -7.137
  138   2HE   MET  20          2HE       MET  20  -0.352  -3.600  -5.685
  139   3HE   MET  20          3HE       MET  20  -0.271  -4.690  -7.112
  140    H    LEU  21           H        LEU  21  -2.378  -1.135  -4.293
  141    HA   LEU  21           HA       LEU  21  -4.055  -0.317  -2.056
  142   1HB   LEU  21          1HB       LEU  21  -1.360  -1.307  -2.501
  143   2HB   LEU  21          2HB       LEU  21  -1.559  -0.186  -1.169
  144    HG   LEU  21           HG       LEU  21  -1.647  -2.526  -0.516
  145   1HD1  LEU  21          1HD1      LEU  21  -2.723  -0.938   0.960
  146   2HD1  LEU  21          2HD1      LEU  21  -4.241  -1.061   0.004
  147   3HD1  LEU  21          3HD1      LEU  21  -3.640  -2.485   0.924
  148   1HD2  LEU  21          1HD2      LEU  21  -4.158  -2.651  -2.147
  149   2HD2  LEU  21          2HD2      LEU  21  -2.614  -3.520  -2.449
  150   3HD2  LEU  21          3HD2      LEU  21  -3.593  -3.908  -0.992
  151    H    ASN  22           H        ASN  22  -3.444   1.218  -4.664
  152    HA   ASN  22           HA       ASN  22  -2.369   3.733  -3.646
  153   1HB   ASN  22          1HB       ASN  22  -3.278   2.613  -6.246
  154   2HB   ASN  22          2HB       ASN  22  -3.299   4.354  -6.050
  155   1HD2  ASN  22          2HD2      ASN  22  -1.476   5.389  -6.570
  156   2HD2  ASN  22          1HD2      ASN  22   0.134   4.709  -6.494
  157    H    HIS  23           H        HIS  23  -5.476   2.444  -4.849
  158    HA   HIS  23           HA       HIS  23  -6.916   4.874  -4.538
  159   1HB   HIS  23          1HB       HIS  23  -7.877   2.033  -4.607
  160   2HB   HIS  23          2HB       HIS  23  -8.914   3.441  -4.714
  161    HD1  HIS  23           1HD      HIS  23  -9.464   4.190  -7.083
  162    HD2  HIS  23           2HD      HIS  23  -5.907   1.932  -6.738
  163    HE1  HIS  23           1HE      HIS  23  -8.593   3.799  -9.480
  164    HE2  HIS  23           2HE      HIS  23  -6.396   2.492  -9.240
  165    H    CYS  24           H        CYS  24  -7.062   1.891  -2.559
  166    HA   CYS  24           HA       CYS  24  -8.317   3.022  -0.317
  167   1HB   CYS  24          1HB       CYS  24  -6.698   0.665  -0.835
  168   2HB   CYS  24          2HB       CYS  24  -6.556   1.272   0.803
  169    H    GLY  25           H        GLY  25  -4.973   3.315  -1.381
  170   1HA   GLY  25          1HA       GLY  25  -3.887   4.400   1.016
  171   2HA   GLY  25          2HA       GLY  25  -3.235   4.562  -0.602
  172    H    MET  26           H        MET  26  -5.024   6.041  -1.980
  173    HA   MET  26           HA       MET  26  -4.621   8.687  -1.304
  174   1HB   MET  26          1HB       MET  26  -6.584   7.254  -3.004
  175   2HB   MET  26          2HB       MET  26  -6.827   8.964  -2.708
  176   1HG   MET  26          1HG       MET  26  -4.602   9.432  -3.587
  177   2HG   MET  26          2HG       MET  26  -4.357   7.723  -3.881
  178   1HE   MET  26          1HE       MET  26  -4.621  10.684  -5.681
  179   2HE   MET  26          2HE       MET  26  -3.731   9.241  -6.281
  180   3HE   MET  26          3HE       MET  26  -5.051   9.959  -7.269
  181    H    TYR  27           H        TYR  27  -7.427   6.661  -0.515
  182    HA   TYR  27           HA       TYR  27  -9.082   8.504   0.750
  183   1HB   TYR  27          1HB       TYR  27  -9.605   6.172   0.216
  184   2HB   TYR  27          2HB       TYR  27  -8.508   5.643   1.475
  185    HD1  TYR  27           1HD      TYR  27  -9.503   4.919   3.441
  186    HD2  TYR  27           2HD      TYR  27 -11.321   8.091   1.147
  187    HE1  TYR  27           1HE      TYR  27 -11.393   5.026   5.090
  188    HE2  TYR  27           2HE      TYR  27 -13.113   8.302   2.875
  189    HH   TYR  27           HH       TYR  27 -13.974   7.481   4.731
  190    H    LEU  28           H        LEU  28  -6.296   6.792   2.037
  191    HA   LEU  28           HA       LEU  28  -6.555   7.897   4.709
  192   1HB   LEU  28          1HB       LEU  28  -4.134   6.489   3.671
  193   2HB   LEU  28          2HB       LEU  28  -4.805   6.482   5.290
  194    HG   LEU  28           HG       LEU  28  -6.302   5.215   3.076
  195   1HD1  LEU  28          1HD1      LEU  28  -4.088   4.305   2.749
  196   2HD1  LEU  28          2HD1      LEU  28  -3.983   3.889   4.496
  197   3HD1  LEU  28          3HD1      LEU  28  -5.173   3.049   3.441
  198   1HD2  LEU  28          1HD2      LEU  28  -6.120   4.591   6.019
  199   2HD2  LEU  28          2HD2      LEU  28  -7.464   5.431   5.171
  200   3HD2  LEU  28          3HD2      LEU  28  -7.123   3.700   4.821
  201    H    MET  29           H        MET  29  -4.589   8.432   1.799
  202    HA   MET  29           HA       MET  29  -2.925  10.467   2.866
  203   1HB   MET  29          1HB       MET  29  -3.166   9.063   0.476
  204   2HB   MET  29          2HB       MET  29  -3.353  10.752   0.050
  205   1HG   MET  29          1HG       MET  29  -1.213  10.307   1.961
  206   2HG   MET  29          2HG       MET  29  -0.968   9.438   0.460
  207   1HE   MET  29          1HE       MET  29  -0.222  10.376  -1.701
  208   2HE   MET  29          2HE       MET  29  -1.915  10.960  -1.862
  209   3HE   MET  29          3HE       MET  29  -0.545  12.064  -2.228
  210    H    LYS  30           H        LYS  30  -6.198  10.610   2.459
  211    HA   LYS  30           HA       LYS  30  -6.475  13.283   1.466
  212   1HB   LYS  30          1HB       LYS  30  -8.148  11.203   1.703
  213   2HB   LYS  30          2HB       LYS  30  -8.615  12.123   3.118
  214   1HG   LYS  30          1HG       LYS  30  -9.466  13.841   1.888
  215   2HG   LYS  30          2HG       LYS  30  -8.251  13.680   0.636
  216   1HD   LYS  30          1HD       LYS  30  -9.611  11.417   0.182
  217   2HD   LYS  30          2HD       LYS  30 -10.905  12.378   0.869
  218   1HE   LYS  30          1HE       LYS  30  -9.148  13.282  -1.408
  219   2HE   LYS  30          2HE       LYS  30 -10.732  12.561  -1.616
  220   1HZ   LYS  30          1HZ       LYS  30 -11.665  14.368  -0.366
  221   2HZ   LYS  30          2HZ       LYS  30 -10.168  15.049  -0.170
  222   3HZ   LYS  30          3HZ       LYS  30 -10.837  14.940  -1.681
  223    H    ASN  31           H        ASN  31  -5.896  11.882   4.554
  224    HA   ASN  31           HA       ASN  31  -5.729  14.567   5.782
  225   1HB   ASN  31          1HB       ASN  31  -7.162  12.149   6.691
  226   2HB   ASN  31          2HB       ASN  31  -6.339  13.100   7.911
  227   1HD2  ASN  31          2HD2      ASN  31  -8.598  13.266   8.698
  228   2HD2  ASN  31          1HD2      ASN  31  -9.558  14.595   8.086
  229    H    LEU  32           H        LEU  32  -3.954  12.084   4.733
  230    HA   LEU  32           HA       LEU  32  -2.012  12.182   6.968
  231   1HB   LEU  32          1HB       LEU  32  -2.383  10.067   4.867
  232   2HB   LEU  32          2HB       LEU  32  -1.154  10.052   6.116
  233    HG   LEU  32           HG       LEU  32  -4.092  10.152   6.729
  234   1HD1  LEU  32          1HD1      LEU  32  -3.725   8.091   5.487
  235   2HD1  LEU  32          2HD1      LEU  32  -2.362   7.673   6.583
  236   3HD1  LEU  32          3HD1      LEU  32  -4.041   7.745   7.222
  237   1HD2  LEU  32          1HD2      LEU  32  -1.746   9.326   8.436
  238   2HD2  LEU  32          2HD2      LEU  32  -2.683  10.855   8.574
  239   3HD2  LEU  32          3HD2      LEU  32  -3.476   9.280   8.926
  240    H    GLY  33           H        GLY  33  -2.608  13.221   3.819
  241   1HA   GLY  33          1HA       GLY  33   0.200  14.110   3.526
  242   2HA   GLY  33          2HA       GLY  33  -0.678  13.446   2.163
  243    H    GLU  34           H        GLU  34   0.433  16.190   2.951
  244    HA   GLU  34           HA       GLU  34  -1.636  18.057   3.242
  245   1HB   GLU  34          1HB       GLU  34   0.989  18.274   3.281
  246   2HB   GLU  34          2HB       GLU  34   0.739  18.768   1.619
  247   1HG   GLU  34          1HG       GLU  34  -0.898  20.460   2.398
  248   2HG   GLU  34          2HG       GLU  34  -0.554  19.999   4.054
  249    H    ARG  35           H        ARG  35  -3.421  17.587   2.030
  250    HA   ARG  35           HA       ARG  35  -3.235  18.148  -0.847
  251   1HB   ARG  35          1HB       ARG  35  -3.472  15.546   0.085
  252   2HB   ARG  35          2HB       ARG  35  -5.107  15.993  -0.362
  253   1HG   ARG  35          1HG       ARG  35  -3.853  16.972  -2.497
  254   2HG   ARG  35          2HG       ARG  35  -2.682  15.742  -2.067
  255   1HD   ARG  35          1HD       ARG  35  -4.294  14.002  -2.285
  256   2HD   ARG  35          2HD       ARG  35  -5.617  15.148  -2.375
  257    HE   ARG  35           HE       ARG  35  -3.936  14.258  -4.543
  258   1HH1  ARG  35          1HH2      ARG  35  -5.881  16.969  -3.459
  259   2HH1  ARG  35          2HH2      ARG  35  -6.080  17.590  -5.083
  260   1HH2  ARG  35          1HH1      ARG  35  -4.216  15.136  -6.606
  261   2HH2  ARG  35          2HH1      ARG  35  -5.172  16.589  -6.802
  262    H    SER  36           H        SER  36  -4.040  20.177  -0.258
  263    HA   SER  36           HA       SER  36  -6.909  20.138   0.477
  264   1HB   SER  36          1HB       SER  36  -6.551  22.458   1.300
  265   2HB   SER  36          2HB       SER  36  -5.710  21.216   2.207
  266    HG   SER  36           HG       SER  36  -4.357  23.013   1.721
  267    H    GLN  37           H        GLN  37  -7.242  19.581  -1.786
  268    HA   GLN  37           HA       GLN  37  -6.655  21.576  -3.770
  269   1HB   GLN  37          1HB       GLN  37  -7.515  18.993  -3.892
  270   2HB   GLN  37          2HB       GLN  37  -8.977  19.871  -4.295
  271   1HG   GLN  37          1HG       GLN  37  -7.520  21.224  -5.906
  272   2HG   GLN  37          2HG       GLN  37  -6.303  19.987  -5.668
  273   1HE2  GLN  37          2HE2      GLN  37  -6.555  19.774  -8.070
  274   2HE2  GLN  37          1HE2      GLN  37  -7.804  18.688  -8.640
  275    H    VAL  38           H        VAL  38  -7.697  23.382  -4.328
  276    HA   VAL  38           HA       VAL  38  -9.586  24.675  -2.781
  277    HB   VAL  38           HB       VAL  38  -8.210  25.756  -4.448
  278   1HG1  VAL  38          1HG1      VAL  38  -8.329  24.175  -6.308
  279   2HG1  VAL  38          2HG1      VAL  38 -10.071  24.562  -6.525
  280   3HG1  VAL  38          3HG1      VAL  38  -8.825  25.821  -6.833
  281   1HG2  VAL  38          1HG2      VAL  38 -11.181  26.232  -4.790
  282   2HG2  VAL  38          2HG2      VAL  38 -10.114  26.947  -3.532
  283   3HG2  VAL  38          3HG2      VAL  38  -9.882  27.383  -5.260
  284    H    SER  39           H        SER  39 -11.428  23.816  -2.134
  285    HA   SER  39           HA       SER  39 -13.640  23.497  -3.866
  286   1HB   SER  39          1HB       SER  39 -12.326  21.389  -4.484
  287   2HB   SER  39          2HB       SER  39 -12.669  20.825  -2.861
  288    HG   SER  39           HG       SER  39 -14.282  20.159  -4.379
  289    HA   PRO  40           HA       PRO  40 -14.522  23.970   0.585
  290   1HB   PRO  40          1HB       PRO  40 -16.211  26.121   0.332
  291   2HB   PRO  40          2HB       PRO  40 -14.489  26.226   0.640
  292   1HG   PRO  40          1HG       PRO  40 -15.964  26.780  -1.851
  293   2HG   PRO  40          2HG       PRO  40 -14.365  27.316  -1.374
  294   1HD   PRO  40          1HD       PRO  40 -14.993  25.204  -3.166
  295   2HD   PRO  40          2HD       PRO  40 -13.404  25.645  -2.574
  296    H    ARG  41           H        ARG  41 -15.530  21.926  -0.788
  297    HA   ARG  41           HA       ARG  41 -18.217  21.679   0.194
  298   1HB   ARG  41          1HB       ARG  41 -18.280  22.858  -2.168
  299   2HB   ARG  41          2HB       ARG  41 -18.004  21.232  -2.756
  300   1HG   ARG  41          1HG       ARG  41 -20.288  21.142  -2.656
  301   2HG   ARG  41          2HG       ARG  41 -19.960  20.724  -0.985
  302   1HD   ARG  41          1HD       ARG  41 -19.988  23.290  -0.581
  303   2HD   ARG  41          2HD       ARG  41 -20.814  23.367  -2.125
  304    HE   ARG  41           HE       ARG  41 -22.730  22.614  -1.113
  305   1HH1  ARG  41          1HH2      ARG  41 -20.031  21.782   0.980
  306   2HH1  ARG  41          2HH2      ARG  41 -21.082  21.159   2.232
  307   1HH2  ARG  41          1HH1      ARG  41 -24.006  21.777   0.537
  308   2HH2  ARG  41          2HH1      ARG  41 -23.254  21.155   1.989
  309    H    MET  42           H        MET  42 -16.966  20.105   1.394
  310    HA   MET  42           HA       MET  42 -15.572  17.921   0.620
  311   1HB   MET  42          1HB       MET  42 -16.884  16.631   2.379
  312   2HB   MET  42          2HB       MET  42 -16.064  18.091   2.895
  313   1HG   MET  42          1HG       MET  42 -17.979  19.071   3.499
  314   2HG   MET  42          2HG       MET  42 -18.773  18.617   2.006
  315   1HE   MET  42          1HE       MET  42 -20.981  18.638   3.635
  316   2HE   MET  42          2HE       MET  42 -20.962  17.565   2.192
  317   3HE   MET  42          3HE       MET  42 -21.588  16.951   3.762
  318    H    ARG  43           H        ARG  43 -15.777  16.743  -1.177
  319    HA   ARG  43           HA       ARG  43 -17.953  14.955  -1.565
  320   1HB   ARG  43          1HB       ARG  43 -18.762  17.382  -2.396
  321   2HB   ARG  43          2HB       ARG  43 -17.927  16.851  -3.842
  322   1HG   ARG  43          1HG       ARG  43 -19.570  15.399  -4.350
  323   2HG   ARG  43          2HG       ARG  43 -19.555  14.726  -2.733
  324   1HD   ARG  43          1HD       ARG  43 -21.662  15.613  -2.703
  325   2HD   ARG  43          2HD       ARG  43 -20.778  17.038  -2.193
  326    HE   ARG  43           HE       ARG  43 -21.279  18.071  -4.200
  327   1HH1  ARG  43          1HH2      ARG  43 -22.025  14.646  -4.482
  328   2HH1  ARG  43          2HH2      ARG  43 -22.769  14.848  -6.052
  329   1HH2  ARG  43          1HH1      ARG  43 -22.230  18.241  -6.233
  330   2HH2  ARG  43          2HH1      ARG  43 -22.882  16.816  -7.010
  331    H    GLU  44           H        GLU  44 -16.998  13.276  -2.401
  332    HA   GLU  44           HA       GLU  44 -15.584  13.273  -4.846
  333   1HB   GLU  44          1HB       GLU  44 -13.329  12.682  -3.990
  334   2HB   GLU  44          2HB       GLU  44 -13.779  14.348  -3.683
  335   1HG   GLU  44          1HG       GLU  44 -14.307  12.307  -1.578
  336   2HG   GLU  44          2HG       GLU  44 -12.666  12.876  -1.805
  337    H    GLU  45           H        GLU  45 -14.459  11.100  -5.195
  338    HA   GLU  45           HA       GLU  45 -16.210   9.000  -4.294
  339   1HB   GLU  45          1HB       GLU  45 -14.838   9.245  -6.499
  340   2HB   GLU  45          2HB       GLU  45 -13.566   8.481  -5.568
  341   1HG   GLU  45          1HG       GLU  45 -15.118   6.619  -5.033
  342   2HG   GLU  45          2HG       GLU  45 -16.333   7.370  -6.047
  343    H    ASP  46           H        ASP  46 -15.914   7.385  -2.865
  344    HA   ASP  46           HA       ASP  46 -13.696   7.633  -0.932
  345   1HB   ASP  46          1HB       ASP  46 -16.295   7.762  -0.402
  346   2HB   ASP  46          2HB       ASP  46 -16.122   6.019  -0.377
  347    H    HIS  47           H        HIS  47 -12.137   6.514  -2.150
  348    HA   HIS  47           HA       HIS  47 -12.575   3.949  -3.286
  349   1HB   HIS  47          1HB       HIS  47 -10.091   5.051  -2.009
  350   2HB   HIS  47          2HB       HIS  47 -10.156   3.642  -3.047
  351    HD1  HIS  47           1HD      HIS  47 -12.185   5.039  -5.221
  352    HD2  HIS  47           2HD      HIS  47  -8.583   6.567  -3.617
  353    HE1  HIS  47           1HE      HIS  47 -11.338   6.805  -6.880
  354    HE2  HIS  47           2HE      HIS  47  -9.125   7.693  -5.920
  355    H    LYS  48           H        LYS  48 -12.016   1.886  -2.533
  356    HA   LYS  48           HA       LYS  48 -11.388   0.892  -0.070
  357   1HB   LYS  48          1HB       LYS  48 -14.008   2.139   0.051
  358   2HB   LYS  48          2HB       LYS  48 -14.036   0.456   0.534
  359   1HG   LYS  48          1HG       LYS  48 -12.422   0.812   2.245
  360   2HG   LYS  48          2HG       LYS  48 -11.981   2.383   1.603
  361   1HD   LYS  48          1HD       LYS  48 -13.468   3.312   3.000
  362   2HD   LYS  48          2HD       LYS  48 -14.745   2.505   2.110
  363   1HE   LYS  48          1HE       LYS  48 -15.070   1.748   4.295
  364   2HE   LYS  48          2HE       LYS  48 -14.148   0.450   3.562
  365   1HZ   LYS  48          1HZ       LYS  48 -12.174   1.382   4.513
  366   2HZ   LYS  48          2HZ       LYS  48 -13.045   2.608   5.205
  367   3HZ   LYS  48          3HZ       LYS  48 -13.281   1.045   5.696
  368    H    GLN  49           H        GLN  49 -13.552   0.662  -2.801
  369    HA   GLN  49           HA       GLN  49 -13.338  -2.288  -2.719
  370   1HB   GLN  49          1HB       GLN  49 -15.300  -0.401  -3.850
  371   2HB   GLN  49          2HB       GLN  49 -15.001  -1.866  -4.763
  372   1HG   GLN  49          1HG       GLN  49 -16.768  -2.408  -3.287
  373   2HG   GLN  49          2HG       GLN  49 -15.335  -3.125  -2.577
  374   1HE2  GLN  49          2HE2      GLN  49 -15.598  -3.027  -0.384
  375   2HE2  GLN  49          1HE2      GLN  49 -16.046  -1.577   0.486
  376    H    LEU  50           H        LEU  50 -12.355   0.518  -4.560
  377    HA   LEU  50           HA       LEU  50 -11.342  -0.931  -6.823
  378   1HB   LEU  50          1HB       LEU  50 -11.187   1.819  -5.728
  379   2HB   LEU  50          2HB       LEU  50  -9.987   1.346  -6.912
  380    HG   LEU  50           HG       LEU  50 -12.895   0.880  -7.446
  381   1HD1  LEU  50          1HD1      LEU  50 -12.731   3.231  -6.783
  382   2HD1  LEU  50          2HD1      LEU  50 -11.378   3.459  -7.945
  383   3HD1  LEU  50          3HD1      LEU  50 -13.029   3.086  -8.550
  384   1HD2  LEU  50          1HD2      LEU  50 -10.525   1.439  -9.270
  385   2HD2  LEU  50          2HD2      LEU  50 -11.266  -0.171  -8.969
  386   3HD2  LEU  50          3HD2      LEU  50 -12.209   1.108  -9.809
  387    H    CYS  51           H        CYS  51 -10.254  -0.704  -3.609
  388    HA   CYS  51           HA       CYS  51  -7.497  -1.363  -4.351
  389   1HB   CYS  51          1HB       CYS  51  -7.258  -1.482  -1.814
  390   2HB   CYS  51          2HB       CYS  51  -7.474   0.084  -2.569
  391    H    CYS  52           H        CYS  52 -10.138  -2.826  -2.414
  392    HA   CYS  52           HA       CYS  52  -8.961  -5.399  -2.294
  393   1HB   CYS  52          1HB       CYS  52 -11.004  -4.308  -1.065
  394   2HB   CYS  52          2HB       CYS  52 -11.897  -5.141  -2.321
  395    H    MET  53           H        MET  53 -10.226  -3.793  -4.978
  396    HA   MET  53           HA       MET  53 -11.219  -5.980  -6.520
  397   1HB   MET  53          1HB       MET  53 -11.864  -3.688  -6.993
  398   2HB   MET  53          2HB       MET  53 -10.197  -3.264  -7.326
  399   1HG   MET  53          1HG       MET  53 -10.808  -5.500  -8.931
  400   2HG   MET  53          2HG       MET  53 -12.148  -4.380  -9.089
  401   1HE   MET  53          1HE       MET  53  -9.028  -5.526 -10.578
  402   2HE   MET  53          2HE       MET  53 -10.496  -5.238 -11.576
  403   3HE   MET  53          3HE       MET  53  -8.986  -4.319 -11.910
  404    H    GLN  54           H        GLN  54  -8.391  -3.998  -7.435
  405    HA   GLN  54           HA       GLN  54  -7.131  -6.112  -8.852
  406   1HB   GLN  54          1HB       GLN  54  -6.275  -3.439  -7.882
  407   2HB   GLN  54          2HB       GLN  54  -5.069  -4.551  -8.496
  408   1HG   GLN  54          1HG       GLN  54  -5.534  -3.830 -10.532
  409   2HG   GLN  54          2HG       GLN  54  -7.107  -4.588 -10.382
  410   1HE2  GLN  54          2HE2      GLN  54  -7.356  -2.758 -12.086
  411   2HE2  GLN  54          1HE2      GLN  54  -7.984  -1.256 -11.446
  412    H    LEU  55           H        LEU  55  -7.225  -5.457  -5.468
  413    HA   LEU  55           HA       LEU  55  -4.857  -6.830  -4.704
  414   1HB   LEU  55          1HB       LEU  55  -7.392  -6.017  -3.448
  415   2HB   LEU  55          2HB       LEU  55  -6.495  -7.296  -2.654
  416    HG   LEU  55           HG       LEU  55  -5.247  -4.703  -3.450
  417   1HD1  LEU  55          1HD1      LEU  55  -7.063  -4.088  -1.961
  418   2HD1  LEU  55          2HD1      LEU  55  -6.510  -5.308  -0.761
  419   3HD1  LEU  55          3HD1      LEU  55  -5.481  -3.879  -1.131
  420   1HD2  LEU  55          1HD2      LEU  55  -4.373  -6.895  -1.547
  421   2HD2  LEU  55          2HD2      LEU  55  -3.684  -6.526  -3.166
  422   3HD2  LEU  55          3HD2      LEU  55  -3.489  -5.352  -1.818
  423    H    LYS  56           H        LYS  56  -8.170  -8.020  -5.334
  424    HA   LYS  56           HA       LYS  56  -7.476 -10.766  -4.798
  425   1HB   LYS  56          1HB       LYS  56  -9.743  -9.975  -4.568
  426   2HB   LYS  56          2HB       LYS  56  -9.798  -9.565  -6.272
  427   1HG   LYS  56          1HG       LYS  56 -10.220 -11.691  -6.887
  428   2HG   LYS  56          2HG       LYS  56  -9.045 -12.345  -5.765
  429   1HD   LYS  56          1HD       LYS  56 -10.657 -12.132  -3.941
  430   2HD   LYS  56          2HD       LYS  56 -11.831 -11.456  -5.051
  431   1HE   LYS  56          1HE       LYS  56 -11.407 -13.623  -6.432
  432   2HE   LYS  56          2HE       LYS  56 -10.751 -14.252  -4.934
  433   1HZ   LYS  56          1HZ       LYS  56 -12.817 -13.729  -3.866
  434   2HZ   LYS  56          2HZ       LYS  56 -13.436 -13.134  -5.283
  435   3HZ   LYS  56          3HZ       LYS  56 -13.072 -14.745  -5.150
  436    H    ASN  57           H        ASN  57  -6.765  -8.715  -7.421
  437    HA   ASN  57           HA       ASN  57  -6.454 -10.865  -9.369
  438   1HB   ASN  57          1HB       ASN  57  -6.069  -7.951  -9.275
  439   2HB   ASN  57          2HB       ASN  57  -4.996  -8.826 -10.350
  440   1HD2  ASN  57          2HD2      ASN  57  -6.869  -6.895 -11.143
  441   2HD2  ASN  57          1HD2      ASN  57  -8.067  -7.685 -12.144
  442    H    LEU  58           H        LEU  58  -4.467  -9.237  -6.975
  443    HA   LEU  58           HA       LEU  58  -1.974 -10.223  -7.932
  444   1HB   LEU  58          1HB       LEU  58  -2.953  -8.698  -5.669
  445   2HB   LEU  58          2HB       LEU  58  -1.648  -9.782  -5.234
  446    HG   LEU  58           HG       LEU  58  -1.612  -7.529  -7.210
  447   1HD1  LEU  58          1HD1      LEU  58  -1.171  -7.032  -4.844
  448   2HD1  LEU  58          2HD1      LEU  58   0.092  -8.311  -4.818
  449   3HD1  LEU  58          3HD1      LEU  58   0.325  -6.839  -5.823
  450   1HD2  LEU  58          1HD2      LEU  58   0.567  -9.626  -6.863
  451   2HD2  LEU  58          2HD2      LEU  58  -0.458  -9.432  -8.327
  452   3HD2  LEU  58          3HD2      LEU  58   0.685  -8.129  -7.851
  453    H    ASP  59           H        ASP  59  -0.654 -11.479  -6.022
  454    HA   ASP  59           HA       ASP  59  -1.975 -14.117  -5.845
  455   1HB   ASP  59          1HB       ASP  59   0.827 -13.107  -5.693
  456   2HB   ASP  59          2HB       ASP  59   0.424 -14.653  -4.974
  457    H    GLU  60           H        GLU  60  -2.089 -15.292  -3.910
  458    HA   GLU  60           HA       GLU  60  -2.620 -13.818  -1.538
  459   1HB   GLU  60          1HB       GLU  60  -3.127 -16.348  -2.416
  460   2HB   GLU  60          2HB       GLU  60  -1.934 -16.633  -1.166
  461   1HG   GLU  60          1HG       GLU  60  -3.380 -15.019   0.256
  462   2HG   GLU  60          2HG       GLU  60  -4.629 -15.344  -0.929
  463    H    LYS  61           H        LYS  61   0.284 -15.353  -2.727
  464    HA   LYS  61           HA       LYS  61   1.773 -14.896  -0.277
  465   1HB   LYS  61          1HB       LYS  61   2.254 -16.802  -1.705
  466   2HB   LYS  61          2HB       LYS  61   2.693 -15.719  -3.010
  467   1HG   LYS  61          1HG       LYS  61   4.734 -15.308  -2.139
  468   2HG   LYS  61          2HG       LYS  61   4.107 -15.166  -0.508
  469   1HD   LYS  61          1HD       LYS  61   3.918 -17.728  -0.572
  470   2HD   LYS  61          2HD       LYS  61   4.978 -17.634  -1.964
  471   1HE   LYS  61          1HE       LYS  61   6.555 -16.266  -0.553
  472   2HE   LYS  61          2HE       LYS  61   5.542 -16.639   0.827
  473   1HZ   LYS  61          1HZ       LYS  61   5.930 -18.955   0.424
  474   2HZ   LYS  61          2HZ       LYS  61   6.887 -18.602  -0.880
  475   3HZ   LYS  61          3HZ       LYS  61   7.365 -18.159   0.643
  476    H    CYS  62           H        CYS  62   0.925 -12.957  -2.984
  477    HA   CYS  62           HA       CYS  62   3.042 -11.016  -2.386
  478   1HB   CYS  62          1HB       CYS  62   0.894 -11.151  -4.459
  479   2HB   CYS  62          2HB       CYS  62   1.999  -9.803  -4.287
  480    H    MET  63           H        MET  63  -0.187 -11.693  -1.467
  481    HA   MET  63           HA       MET  63  -0.906  -8.952  -0.830
  482   1HB   MET  63          1HB       MET  63  -2.087 -11.665  -0.506
  483   2HB   MET  63          2HB       MET  63  -2.800 -10.287   0.307
  484   1HG   MET  63          1HG       MET  63  -3.635  -9.419  -1.598
  485   2HG   MET  63          2HG       MET  63  -2.259  -9.926  -2.556
  486   1HE   MET  63          1HE       MET  63  -4.039 -12.565  -0.305
  487   2HE   MET  63          2HE       MET  63  -5.405 -11.430  -0.588
  488   3HE   MET  63          3HE       MET  63  -5.435 -13.073  -1.316
  489    H    CYS  64           H        CYS  64   1.275  -8.839   0.430
  490    HA   CYS  64           HA       CYS  64   0.933  -8.479   3.123
  491   1HB   CYS  64          1HB       CYS  64   0.710 -10.554   3.960
  492   2HB   CYS  64          2HB       CYS  64   1.461 -11.310   2.569
  493    HA   PRO  65           HA       PRO  65   5.527  -8.487   2.236
  494   1HB   PRO  65          1HB       PRO  65   6.508  -9.717  -0.016
  495   2HB   PRO  65          2HB       PRO  65   6.445 -10.468   1.566
  496   1HG   PRO  65          1HG       PRO  65   4.772 -10.972  -0.791
  497   2HG   PRO  65          2HG       PRO  65   5.041 -11.988   0.611
  498   1HD   PRO  65          1HD       PRO  65   2.774 -10.379   0.077
  499   2HD   PRO  65          2HD       PRO  65   3.108 -11.282   1.541
  500    H    ALA  66           H        ALA  66   3.585  -8.581  -0.744
  501    HA   ALA  66           HA       ALA  66   5.027  -6.527  -2.068
  502   1HB   ALA  66          1HB       ALA  66   3.577  -8.060  -3.282
  503   2HB   ALA  66          2HB       ALA  66   2.152  -7.412  -2.398
  504   3HB   ALA  66          3HB       ALA  66   3.058  -6.358  -3.538
  505    H    ILE  67           H        ILE  67   2.022  -6.393  -0.082
  506    HA   ILE  67           HA       ILE  67   1.337  -3.778  -0.145
  507    HB   ILE  67           HB       ILE  67   1.562  -5.523   2.263
  508   1HG1  ILE  67          1HG1      ILE  67  -0.193  -5.430   0.036
  509   2HG1  ILE  67          2HG1      ILE  67  -0.134  -6.584   1.354
  510   1HG2  ILE  67          1HG2      ILE  67   1.581  -3.239   3.110
  511   2HG2  ILE  67          2HG2      ILE  67   0.135  -2.846   2.115
  512   3HG2  ILE  67          3HG2      ILE  67   0.002  -4.022   3.470
  513   1HD1  ILE  67          1HD1      ILE  67  -1.613  -5.160   2.696
  514   2HD1  ILE  67          2HD1      ILE  67  -1.673  -3.977   1.343
  515   3HD1  ILE  67          3HD1      ILE  67  -2.368  -5.622   1.130
  516    H    MET  68           H        MET  68   4.035  -5.034   1.834
  517    HA   MET  68           HA       MET  68   5.015  -2.718   2.936
  518   1HB   MET  68          1HB       MET  68   6.601  -4.932   1.676
  519   2HB   MET  68          2HB       MET  68   7.246  -3.735   2.782
  520   1HG   MET  68          1HG       MET  68   4.861  -5.061   3.792
  521   2HG   MET  68          2HG       MET  68   6.188  -6.166   3.491
  522   1HE   MET  68          1HE       MET  68   6.268  -2.381   4.524
  523   2HE   MET  68          2HE       MET  68   4.872  -3.066   5.427
  524   3HE   MET  68          3HE       MET  68   6.332  -2.508   6.316
  525    H    MET  69           H        MET  69   6.308  -3.929  -0.150
  526    HA   MET  69           HA       MET  69   7.577  -1.585  -0.973
  527   1HB   MET  69          1HB       MET  69   6.378  -3.899  -2.417
  528   2HB   MET  69          2HB       MET  69   7.229  -2.618  -3.258
  529   1HG   MET  69          1HG       MET  69   8.388  -4.367  -1.110
  530   2HG   MET  69          2HG       MET  69   8.677  -4.533  -2.830
  531   1HE   MET  69          1HE       MET  69  11.314  -4.509  -2.049
  532   2HE   MET  69          2HE       MET  69  10.890  -3.884  -3.680
  533   3HE   MET  69          3HE       MET  69  12.074  -2.997  -2.658
  534    H    MET  70           H        MET  70   4.157  -2.505  -1.417
  535    HA   MET  70           HA       MET  70   3.379  -0.551  -3.271
  536   1HB   MET  70          1HB       MET  70   1.492  -1.575  -2.796
  537   2HB   MET  70          2HB       MET  70   2.126  -2.159  -1.270
  538   1HG   MET  70          1HG       MET  70   1.488   0.497  -0.807
  539   2HG   MET  70          2HG       MET  70   0.176  -0.122  -1.790
  540   1HE   MET  70          1HE       MET  70   0.088   1.050   1.282
  541   2HE   MET  70          2HE       MET  70  -1.375   0.623   0.328
  542   3HE   MET  70          3HE       MET  70  -1.150  -0.052   1.978
  543    H    LEU  71           H        LEU  71   3.985  -0.243   0.216
  544    HA   LEU  71           HA       LEU  71   3.351   2.622   0.127
  545   1HB   LEU  71          1HB       LEU  71   4.296   1.011   2.475
  546   2HB   LEU  71          2HB       LEU  71   3.639   2.636   2.506
  547    HG   LEU  71           HG       LEU  71   1.795   0.868   1.253
  548   1HD1  LEU  71          1HD1      LEU  71   2.856  -0.924   2.491
  549   2HD1  LEU  71          2HD1      LEU  71   2.690   0.018   4.013
  550   3HD1  LEU  71          3HD1      LEU  71   1.224  -0.579   3.158
  551   1HD2  LEU  71          1HD2      LEU  71   1.601   2.370   3.868
  552   2HD2  LEU  71          2HD2      LEU  71   1.121   2.983   2.248
  553   3HD2  LEU  71          3HD2      LEU  71   0.233   1.605   2.987
  554    H    ASN  72           H        ASN  72   5.751   1.201  -1.144
  555    HA   ASN  72           HA       ASN  72   7.807   3.059  -0.094
  556   1HB   ASN  72          1HB       ASN  72   8.052   0.382  -1.427
  557   2HB   ASN  72          2HB       ASN  72   9.405   1.477  -1.220
  558   1HD2  ASN  72          2HD2      ASN  72  10.647   0.358   0.176
  559   2HD2  ASN  72          1HD2      ASN  72  10.136  -0.089   1.789
  560    H    GLU  73           H        GLU  73   5.659   2.539  -2.591
  561    HA   GLU  73           HA       GLU  73   7.156   3.166  -4.898
  562   1HB   GLU  73          1HB       GLU  73   4.437   2.739  -4.163
  563   2HB   GLU  73          2HB       GLU  73   4.524   4.180  -5.155
  564   1HG   GLU  73          1HG       GLU  73   6.170   2.506  -6.539
  565   2HG   GLU  73          2HG       GLU  73   5.012   1.365  -5.886
  566    HA   PRO  74           HA       PRO  74   7.744   7.533  -4.820
  567   1HB   PRO  74          1HB       PRO  74   6.787   8.469  -7.208
  568   2HB   PRO  74          2HB       PRO  74   8.327   7.663  -6.987
  569   1HG   PRO  74          1HG       PRO  74   5.856   6.634  -8.219
  570   2HG   PRO  74          2HG       PRO  74   7.502   6.065  -8.408
  571   1HD   PRO  74          1HD       PRO  74   5.480   4.945  -6.771
  572   2HD   PRO  74          2HD       PRO  74   7.161   4.457  -6.864
  573    H    MET  75           H        MET  75   5.344   6.670  -3.542
  574    HA   MET  75           HA       MET  75   3.978   9.197  -3.290
  575   1HB   MET  75          1HB       MET  75   2.947   7.311  -5.114
  576   2HB   MET  75          2HB       MET  75   1.906   7.268  -3.705
  577   1HG   MET  75          1HG       MET  75   1.953   9.821  -3.816
  578   2HG   MET  75          2HG       MET  75   2.610   9.617  -5.428
  579   1HE   MET  75          1HE       MET  75   0.328  11.307  -5.679
  580   2HE   MET  75          2HE       MET  75   1.003  10.413  -7.085
  581   3HE   MET  75          3HE       MET  75  -0.774  10.452  -6.813
  582    H    TRP  76           H        TRP  76   5.494   7.046  -1.691
  583    HA   TRP  76           HA       TRP  76   3.783   7.134   0.652
  584   1HB   TRP  76          1HB       TRP  76   4.501   4.521  -0.639
  585   2HB   TRP  76          2HB       TRP  76   3.831   4.687   0.971
  586    HD1  TRP  76           HD       TRP  76   2.822   3.944  -2.434
  587    HE1  TRP  76           1HE      TRP  76   0.298   4.295  -2.824
  588    HE3  TRP  76           3HE      TRP  76   1.766   6.681   1.731
  589    HZ2  TRP  76           2HZ      TRP  76  -1.860   5.727  -1.557
  590    HZ3  TRP  76           3HZ      TRP  76  -0.493   7.624   2.061
  591    HH2  TRP  76           HH       TRP  76  -2.327   7.045   0.519
  592    H    ILE  77           H        ILE  77   5.554   8.440   1.402
  593    HA   ILE  77           HA       ILE  77   8.016   6.871   1.942
  594    HB   ILE  77           HB       ILE  77   7.872   9.673   0.949
  595   1HG1  ILE  77          1HG1      ILE  77   9.572   8.907  -0.670
  596   2HG1  ILE  77          2HG1      ILE  77   9.371   7.280  -0.054
  597   1HG2  ILE  77          1HG2      ILE  77   9.411   9.745   2.848
  598   2HG2  ILE  77          2HG2      ILE  77  10.307   8.336   2.182
  599   3HG2  ILE  77          3HG2      ILE  77  10.313   9.903   1.301
  600   1HD1  ILE  77          1HD1      ILE  77   7.012   7.276  -0.768
  601   2HD1  ILE  77          2HD1      ILE  77   7.220   8.946  -1.400
  602   3HD1  ILE  77          3HD1      ILE  77   8.124   7.585  -2.147
  603    H    ARG  78           H        ARG  78   7.672  10.162   2.988
  604    HA   ARG  78           HA       ARG  78   7.608   9.272   5.778
  605   1HB   ARG  78          1HB       ARG  78   8.341  11.424   6.316
  606   2HB   ARG  78          2HB       ARG  78   9.165  11.016   4.824
  607   1HG   ARG  78          1HG       ARG  78   6.914  12.190   3.856
  608   2HG   ARG  78          2HG       ARG  78   7.132  13.084   5.347
  609   1HD   ARG  78          1HD       ARG  78   9.651  12.873   4.052
  610   2HD   ARG  78          2HD       ARG  78   8.472  13.434   2.884
  611    HE   ARG  78           HE       ARG  78   8.040  14.943   5.179
  612   1HH1  ARG  78          1HH2      ARG  78  10.685  14.483   2.921
  613   2HH1  ARG  78          2HH2      ARG  78  11.316  16.092   3.192
  614   1HH2  ARG  78          1HH1      ARG  78   8.888  16.978   5.487
  615   2HH2  ARG  78          2HH1      ARG  78  10.320  17.474   4.614
  616    H    MET  79           H        MET  79   5.318   9.437   3.710
  617    HA   MET  79           HA       MET  79   3.299  10.903   5.301
  618   1HB   MET  79          1HB       MET  79   2.065  10.598   2.988
  619   2HB   MET  79          2HB       MET  79   3.156  11.939   3.276
  620   1HG   MET  79          1HG       MET  79   4.900  10.900   2.056
  621   2HG   MET  79          2HG       MET  79   4.038   9.375   1.994
  622   1HE   MET  79          1HE       MET  79   2.402   8.644   0.401
  623   2HE   MET  79          2HE       MET  79   1.279   9.779   1.227
  624   3HE   MET  79          3HE       MET  79   1.357   9.739  -0.569
  625    H    ARG  80           H        ARG  80   4.270   7.879   3.841
  626    HA   ARG  80           HA       ARG  80   1.799   6.517   4.428
  627   1HB   ARG  80          1HB       ARG  80   3.060   4.458   4.032
  628   2HB   ARG  80          2HB       ARG  80   3.241   5.615   2.729
  629   1HG   ARG  80          1HG       ARG  80   5.440   5.698   3.018
  630   2HG   ARG  80          2HG       ARG  80   5.245   6.061   4.722
  631   1HD   ARG  80          1HD       ARG  80   4.990   3.601   5.109
  632   2HD   ARG  80          2HD       ARG  80   5.471   3.365   3.442
  633    HE   ARG  80           HE       ARG  80   7.149   4.188   5.674
  634   1HH1  ARG  80          1HH2      ARG  80   7.017   4.080   2.147
  635   2HH1  ARG  80          2HH2      ARG  80   8.755   4.217   2.019
  636   1HH2  ARG  80          1HH1      ARG  80   9.372   4.355   5.352
  637   2HH2  ARG  80          2HH1      ARG  80  10.003   4.363   3.720
  638    H    ASP  81           H        ASP  81   4.514   7.352   6.415
  639    HA   ASP  81           HA       ASP  81   4.636   5.354   8.302
  640   1HB   ASP  81          1HB       ASP  81   5.434   7.971   8.072
  641   2HB   ASP  81          2HB       ASP  81   4.414   7.992   9.496
  642    H    GLN  82           H        GLN  82   2.060   7.597   7.800
  643    HA   GLN  82           HA       GLN  82   0.530   6.781  10.142
  644   1HB   GLN  82          1HB       GLN  82  -0.399   8.627   8.012
  645   2HB   GLN  82          2HB       GLN  82  -0.763   8.636   9.726
  646   1HG   GLN  82          1HG       GLN  82   1.724   9.243  10.016
  647   2HG   GLN  82          2HG       GLN  82   1.659   9.658   8.315
  648   1HE2  GLN  82          2HE2      GLN  82   2.129  11.820   8.703
  649   2HE2  GLN  82          1HE2      GLN  82   0.963  12.906   9.424
  650    H    VAL  83           H        VAL  83   0.252   6.743   6.592
  651    HA   VAL  83           HA       VAL  83  -2.205   5.317   6.486
  652    HB   VAL  83           HB       VAL  83  -2.006   5.285   4.242
  653   1HG1  VAL  83          1HG1      VAL  83  -1.893   7.630   4.877
  654   2HG1  VAL  83          2HG1      VAL  83  -0.099   7.531   4.955
  655   3HG1  VAL  83          3HG1      VAL  83  -0.944   7.335   3.379
  656   1HG2  VAL  83          1HG2      VAL  83   0.999   5.131   4.475
  657   2HG2  VAL  83          2HG2      VAL  83  -0.125   3.794   4.049
  658   3HG2  VAL  83          3HG2      VAL  83   0.074   5.190   2.934
  659    H    MET  84           H        MET  84   0.885   4.329   7.340
  660    HA   MET  84           HA       MET  84   0.970   1.623   6.517
  661   1HB   MET  84          1HB       MET  84   2.550   3.425   8.113
  662   2HB   MET  84          2HB       MET  84   2.364   1.898   8.953
  663   1HG   MET  84          1HG       MET  84   2.917   0.915   6.575
  664   2HG   MET  84          2HG       MET  84   3.671   2.480   6.351
  665   1HE   MET  84          1HE       MET  84   6.088   2.649   6.536
  666   2HE   MET  84          2HE       MET  84   5.517   3.475   8.028
  667   3HE   MET  84          3HE       MET  84   6.921   2.354   8.102
  668    H    SER  85           H        SER  85  -0.020   3.220   9.548
  669    HA   SER  85           HA       SER  85  -1.120   0.795  10.665
  670   1HB   SER  85          1HB       SER  85  -0.319   3.188  11.732
  671   2HB   SER  85          2HB       SER  85  -2.065   3.269  11.853
  672    HG   SER  85           HG       SER  85  -1.114   2.139  13.637
  673    H    MET  86           H        MET  86  -2.176   2.292   8.095
  674    HA   MET  86           HA       MET  86  -5.041   1.964   8.758
  675   1HB   MET  86          1HB       MET  86  -3.583   3.849   6.976
  676   2HB   MET  86          2HB       MET  86  -5.265   3.464   6.675
  677   1HG   MET  86          1HG       MET  86  -4.177   4.576   9.248
  678   2HG   MET  86          2HG       MET  86  -5.006   5.505   8.016
  679   1HE   MET  86          1HE       MET  86  -5.752   5.224  11.191
  680   2HE   MET  86          2HE       MET  86  -6.588   6.342  10.057
  681   3HE   MET  86          3HE       MET  86  -7.546   5.209  11.073
  682    H    ALA  87           H        ALA  87  -2.653   1.604   6.171
  683    HA   ALA  87           HA       ALA  87  -4.232  -0.322   4.702
  684   1HB   ALA  87          1HB       ALA  87  -2.868   1.308   3.523
  685   2HB   ALA  87          2HB       ALA  87  -1.401   0.690   4.359
  686   3HB   ALA  87          3HB       ALA  87  -2.281  -0.360   3.194
  687    H    HIS  88           H        HIS  88  -3.148  -0.794   7.564
  688    HA   HIS  88           HA       HIS  88  -1.888  -3.414   7.032
  689   1HB   HIS  88          1HB       HIS  88  -1.069  -3.403   9.184
  690   2HB   HIS  88          2HB       HIS  88  -0.917  -1.735   8.672
  691    HD1  HIS  88           1HD      HIS  88  -1.529  -3.304  11.691
  692    HD2  HIS  88           2HD      HIS  88  -3.748  -0.528   9.414
  693    HE1  HIS  88           1HE      HIS  88  -3.091  -2.083  13.338
  694    HE2  HIS  88           2HE      HIS  88  -4.429  -0.402  11.932
  695    H    ASN  89           H        ASN  89  -4.834  -1.942   8.138
  696    HA   ASN  89           HA       ASN  89  -5.961  -4.604   8.788
  697   1HB   ASN  89          1HB       ASN  89  -6.566  -1.848   9.688
  698   2HB   ASN  89          2HB       ASN  89  -7.892  -2.987   9.578
  699   1HD2  ASN  89          2HD2      ASN  89  -4.472  -3.304  10.512
  700   2HD2  ASN  89          1HD2      ASN  89  -4.787  -4.003  12.085
  701    H    LEU  90           H        LEU  90  -6.183  -1.871   6.602
  702    HA   LEU  90           HA       LEU  90  -8.629  -2.461   5.353
  703   1HB   LEU  90          1HB       LEU  90  -6.109  -1.108   4.562
  704   2HB   LEU  90          2HB       LEU  90  -7.282  -1.475   3.312
  705    HG   LEU  90           HG       LEU  90  -7.984   0.031   5.810
  706   1HD1  LEU  90          1HD1      LEU  90  -6.224   1.250   4.602
  707   2HD1  LEU  90          2HD1      LEU  90  -7.179   1.103   3.086
  708   3HD1  LEU  90          3HD1      LEU  90  -7.808   2.089   4.452
  709   1HD2  LEU  90          1HD2      LEU  90  -9.339  -0.224   3.100
  710   2HD2  LEU  90          2HD2      LEU  90  -9.868  -1.029   4.619
  711   3HD2  LEU  90          3HD2      LEU  90  -9.934   0.762   4.481
  712    HA   PRO  91           HA       PRO  91  -6.466  -5.497   2.488
  713   1HB   PRO  91          1HB       PRO  91  -3.937  -6.374   3.053
  714   2HB   PRO  91          2HB       PRO  91  -4.301  -5.069   1.943
  715   1HG   PRO  91          1HG       PRO  91  -3.161  -4.934   4.647
  716   2HG   PRO  91          2HG       PRO  91  -3.108  -3.740   3.366
  717   1HD   PRO  91          1HD       PRO  91  -4.803  -3.757   5.629
  718   2HD   PRO  91          2HD       PRO  91  -4.825  -2.625   4.293
  719    H    ILE  92           H        ILE  92  -5.386  -5.826   5.873
  720    HA   ILE  92           HA       ILE  92  -5.642  -8.637   6.041
  721    HB   ILE  92           HB       ILE  92  -5.761  -6.425   7.988
  722   1HG1  ILE  92          1HG1      ILE  92  -3.949  -8.588   7.202
  723   2HG1  ILE  92          2HG1      ILE  92  -3.610  -6.924   7.634
  724   1HG2  ILE  92          1HG2      ILE  92  -7.557  -7.838   8.831
  725   2HG2  ILE  92          2HG2      ILE  92  -6.476  -9.272   8.749
  726   3HG2  ILE  92          3HG2      ILE  92  -6.117  -7.941   9.904
  727   1HD1  ILE  92          1HD1      ILE  92  -3.855  -7.469  10.018
  728   2HD1  ILE  92          2HD1      ILE  92  -4.204  -9.176   9.576
  729   3HD1  ILE  92          3HD1      ILE  92  -2.587  -8.470   9.231
  730    H    GLU  93           H        GLU  93  -8.103  -6.117   6.586
  731    HA   GLU  93           HA       GLU  93 -10.231  -7.861   7.273
  732   1HB   GLU  93          1HB       GLU  93 -10.009  -5.059   6.319
  733   2HB   GLU  93          2HB       GLU  93 -11.582  -5.831   6.268
  734   1HG   GLU  93          1HG       GLU  93 -10.528  -6.421   8.804
  735   2HG   GLU  93          2HG       GLU  93 -10.180  -4.726   8.527
  736    H    CYS  94           H        CYS  94  -8.813  -7.096   4.212
  737    HA   CYS  94           HA       CYS  94 -10.990  -8.363   2.736
  738   1HB   CYS  94          1HB       CYS  94  -8.557  -6.831   2.122
  739   2HB   CYS  94          2HB       CYS  94  -9.125  -7.961   0.909
  740    H    ASN  95           H        ASN  95  -8.757  -9.633   4.681
  741    HA   ASN  95           HA       ASN  95  -7.670 -11.588   4.921
  742   1HB   ASN  95          1HB       ASN  95  -9.987 -12.297   3.969
  743   2HB   ASN  95          2HB       ASN  95  -9.045 -12.776   2.571
  744   1HD2  ASN  95          2HD2      ASN  95  -6.791 -13.895   3.523
  745   2HD2  ASN  95          1HD2      ASN  95  -7.153 -15.254   4.564
  746    H    LEU  96           H        LEU  96  -6.555  -9.507   3.193
  747    HA   LEU  96           HA       LEU  96  -5.273 -10.979   1.038
  748   1HB   LEU  96          1HB       LEU  96  -4.687  -8.154   1.836
  749   2HB   LEU  96          2HB       LEU  96  -4.429  -8.915   0.280
  750    HG   LEU  96           HG       LEU  96  -7.122  -8.453   1.537
  751   1HD1  LEU  96          1HD1      LEU  96  -6.002  -6.373   1.046
  752   2HD1  LEU  96          2HD1      LEU  96  -5.651  -6.949  -0.620
  753   3HD1  LEU  96          3HD1      LEU  96  -7.349  -6.650  -0.112
  754   1HD2  LEU  96          1HD2      LEU  96  -6.444  -9.241  -1.311
  755   2HD2  LEU  96          2HD2      LEU  96  -7.182 -10.317  -0.074
  756   3HD2  LEU  96          3HD2      LEU  96  -8.086  -8.882  -0.670
  757    H    MET  97           H        MET  97  -4.190  -9.032   3.749
  758    HA   MET  97           HA       MET  97  -1.833 -10.779   4.020
  759   1HB   MET  97          1HB       MET  97  -0.588  -8.931   4.792
  760   2HB   MET  97          2HB       MET  97  -1.373  -8.487   3.290
  761   1HG   MET  97          1HG       MET  97  -2.236  -6.721   4.276
  762   2HG   MET  97          2HG       MET  97  -3.121  -7.773   5.362
  763   1HE   MET  97          1HE       MET  97   0.766  -7.474   5.149
  764   2HE   MET  97          2HE       MET  97   0.214  -5.806   4.762
  765   3HE   MET  97          3HE       MET  97   1.096  -6.129   6.296
  766    H    SER  98           H        SER  98  -4.533 -11.042   5.297
  767    HA   SER  98           HA       SER  98  -4.847 -10.282   7.867
  768   1HB   SER  98          1HB       SER  98  -5.535 -12.702   6.391
  769   2HB   SER  98          2HB       SER  98  -5.524 -12.892   8.133
  770    HG   SER  98           HG       SER  98  -7.571 -12.235   7.336
  771    H    GLN  99           H        GLN  99  -3.368 -13.481   7.351
  772    HA   GLN  99           HA       GLN  99  -1.050 -12.662   8.876
  773   1HB   GLN  99          1HB       GLN  99  -3.181 -13.480  10.329
  774   2HB   GLN  99          2HB       GLN  99  -2.316 -14.991  10.137
  775   1HG   GLN  99          1HG       GLN  99  -0.537 -14.291  11.371
  776   2HG   GLN  99          2HG       GLN  99  -0.716 -12.620  10.877
  777   1HE2  GLN  99          2HE2      GLN  99  -0.350 -12.044  13.103
  778   2HE2  GLN  99          1HE2      GLN  99  -1.660 -12.164  14.256
  779    HA   PRO 100           HA       PRO 100  -0.628 -16.122   5.808
  780   1HB   PRO 100          1HB       PRO 100   0.598 -14.806   3.732
  781   2HB   PRO 100          2HB       PRO 100  -1.125 -15.102   3.833
  782   1HG   PRO 100          1HG       PRO 100   0.347 -12.591   4.223
  783   2HG   PRO 100          2HG       PRO 100  -1.351 -12.830   3.865
  784   1HD   PRO 100          1HD       PRO 100  -0.204 -12.220   6.385
  785   2HD   PRO 100          2HD       PRO 100  -1.883 -12.593   6.050
  786    H    CYS 101           H        CYS 101   1.783 -13.504   5.520
  787    HA   CYS 101           HA       CYS 101   3.972 -15.350   5.881
  788   1HB   CYS 101          1HB       CYS 101   4.342 -12.436   6.185
  789   2HB   CYS 101          2HB       CYS 101   5.341 -13.612   5.355
  790    H    GLN 102           H        GLN 102   4.773 -16.063   7.745
  791    HA   GLN 102           HA       GLN 102   4.285 -14.518  10.228
  792   1HB   GLN 102          1HB       GLN 102   4.210 -17.499   9.844
  793   2HB   GLN 102          2HB       GLN 102   4.076 -16.680  11.387
  794   1HG   GLN 102          1HG       GLN 102   2.165 -15.680   9.425
  795   2HG   GLN 102          2HG       GLN 102   1.964 -17.390   9.750
  796   1HE2  GLN 102          2HE2      GLN 102   1.103 -18.057  11.694
  797   2HE2  GLN 102          1HE2      GLN 102   0.635 -16.955  12.969
  798    H    MET 103           H        MET 103   5.774 -15.658  12.004
  799    HA   MET 103           HA       MET 103   8.468 -16.186  10.989
  800   1HB   MET 103          1HB       MET 103   7.751 -13.626  11.691
  801   2HB   MET 103          2HB       MET 103   8.509 -14.244  13.146
  802   1HG   MET 103          1HG       MET 103  10.298 -15.111  11.412
  803   2HG   MET 103          2HG       MET 103   9.666 -13.788  10.454
  804   1HE   MET 103          1HE       MET 103  11.211 -14.853  13.867
  805   2HE   MET 103          2HE       MET 103  12.392 -14.843  12.512
  806   3HE   MET 103          3HE       MET 103  12.586 -13.695  13.881
  Start of MODEL    5
    1    HA   PRO   1           HA       PRO   1  14.489 -10.635   3.090
    2   1HB   PRO   1          1HB       PRO   1  12.581 -12.484   3.739
    3   2HB   PRO   1          2HB       PRO   1  14.174 -12.856   3.113
    4   1HG   PRO   1          1HG       PRO   1  13.148 -13.155   5.851
    5   2HG   PRO   1          2HG       PRO   1  14.545 -13.909   5.111
    6   1HD   PRO   1          1HD       PRO   1  14.522 -11.706   6.908
    7   2HD   PRO   1          2HD       PRO   1  15.911 -12.406   6.102
    8    H    TYR   2           H        TYR   2  11.943 -10.750   2.586
    9    HA   TYR   2           HA       TYR   2  10.613  -8.807   4.393
   10   1HB   TYR   2          1HB       TYR   2  10.741  -8.673   1.390
   11   2HB   TYR   2          2HB       TYR   2   9.963  -7.516   2.451
   12    HD1  TYR   2           1HD      TYR   2  11.203  -5.782   3.555
   13    HD2  TYR   2           2HD      TYR   2  13.235  -8.823   1.295
   14    HE1  TYR   2           1HE      TYR   2  13.310  -4.457   3.670
   15    HE2  TYR   2           2HE      TYR   2  15.345  -7.500   1.410
   16    HH   TYR   2           HH       TYR   2  16.288  -5.669   2.130
   17    H    GLY   3           H        GLY   3  10.521 -11.790   3.216
   18   1HA   GLY   3          1HA       GLY   3   7.868 -12.354   3.738
   19   2HA   GLY   3          2HA       GLY   3   7.924 -11.971   2.029
   20    H    ARG   4           H        ARG   4   9.316 -14.026   4.556
   21    HA   ARG   4           HA       ARG   4  10.912 -15.746   3.218
   22   1HB   ARG   4          1HB       ARG   4  10.274 -15.985   5.596
   23   2HB   ARG   4          2HB       ARG   4   8.735 -16.652   5.089
   24   1HG   ARG   4          1HG       ARG   4  11.253 -17.879   4.056
   25   2HG   ARG   4          2HG       ARG   4  10.738 -18.249   5.689
   26   1HD   ARG   4          1HD       ARG   4   8.465 -18.479   4.004
   27   2HD   ARG   4          2HD       ARG   4   9.778 -19.352   3.240
   28    HE   ARG   4           HE       ARG   4   9.782 -20.901   4.986
   29   1HH1  ARG   4          1HH2      ARG   4   7.698 -18.187   5.760
   30   2HH1  ARG   4          2HH2      ARG   4   6.996 -18.967   7.159
   31   1HH2  ARG   4          1HH1      ARG   4   8.884 -21.904   6.792
   32   2HH2  ARG   4          2HH1      ARG   4   7.671 -21.081   7.746
   33    H    GLY   5           H        GLY   5  10.852 -17.088   1.558
   34   1HA   GLY   5          1HA       GLY   5   9.775 -18.815   0.288
   35   2HA   GLY   5          2HA       GLY   5   8.219 -18.100   0.661
   36    H    ARG   6           H        ARG   6  10.319 -18.619  -1.752
   37    HA   ARG   6           HA       ARG   6  10.530 -16.133  -3.072
   38   1HB   ARG   6          1HB       ARG   6  10.880 -17.473  -5.115
   39   2HB   ARG   6          2HB       ARG   6  11.858 -18.026  -3.772
   40   1HG   ARG   6          1HG       ARG   6  10.335 -19.850  -3.340
   41   2HG   ARG   6          2HG       ARG   6   9.211 -19.247  -4.542
   42   1HD   ARG   6          1HD       ARG   6  10.273 -20.382  -6.146
   43   2HD   ARG   6          2HD       ARG   6  11.777 -19.572  -5.754
   44    HE   ARG   6           HE       ARG   6  11.358 -21.580  -3.810
   45   1HH1  ARG   6          1HH2      ARG   6  12.025 -21.333  -7.249
   46   2HH1  ARG   6          2HH2      ARG   6  12.851 -22.874  -7.317
   47   1HH2  ARG   6          1HH1      ARG   6  12.424 -23.568  -3.910
   48   2HH2  ARG   6          2HH1      ARG   6  13.076 -24.138  -5.429
   49    H    THR   7           H        THR   7   9.523 -16.079  -5.453
   50    HA   THR   7           HA       THR   7   6.803 -16.885  -5.682
   51    HB   THR   7           HB       THR   7   6.410 -15.212  -3.963
   52    HG1  THR   7           1HG      THR   7   5.019 -13.927  -5.295
   53   1HG2  THR   7          1HG2      THR   7   8.412 -13.739  -4.407
   54   2HG2  THR   7          2HG2      THR   7   7.621 -13.230  -5.939
   55   3HG2  THR   7          3HG2      THR   7   6.862 -12.831  -4.358
   56    H    GLU   8           H        GLU   8   5.759 -16.045  -7.618
   57    HA   GLU   8           HA       GLU   8   7.527 -16.037  -9.805
   58   1HB   GLU   8          1HB       GLU   8   4.903 -16.461  -9.580
   59   2HB   GLU   8          2HB       GLU   8   4.865 -14.810 -10.169
   60   1HG   GLU   8          1HG       GLU   8   4.910 -15.931 -12.179
   61   2HG   GLU   8          2HG       GLU   8   6.632 -15.760 -11.904
   62    H    SER   9           H        SER   9   6.103 -13.862 -11.273
   63    HA   SER   9           HA       SER   9   7.969 -11.920 -11.370
   64   1HB   SER   9          1HB       SER   9   5.322 -10.729 -11.419
   65   2HB   SER   9          2HB       SER   9   6.531 -10.831 -12.683
   66    HG   SER   9           HG       SER   9   4.620 -11.997 -13.206
   67    H    GLY  10           H        GLY  10   8.668 -10.185 -10.273
   68   1HA   GLY  10          1HA       GLY  10   8.375 -10.026  -7.519
   69   2HA   GLY  10          2HA       GLY  10   8.895  -8.699  -8.539
   70    H    CYS  11           H        CYS  11   6.659  -9.644  -6.297
   71    HA   CYS  11           HA       CYS  11   4.188  -8.791  -7.107
   72   1HB   CYS  11          1HB       CYS  11   5.363  -8.013  -4.469
   73   2HB   CYS  11          2HB       CYS  11   3.677  -8.299  -4.849
   74    H    TYR  12           H        TYR  12   6.758  -6.732  -5.749
   75    HA   TYR  12           HA       TYR  12   5.619  -4.242  -5.965
   76   1HB   TYR  12          1HB       TYR  12   7.874  -4.898  -5.115
   77   2HB   TYR  12          2HB       TYR  12   8.411  -5.019  -6.778
   78    HD1  TYR  12           1HD      TYR  12   9.694  -3.242  -7.532
   79    HD2  TYR  12           2HD      TYR  12   6.567  -2.515  -4.680
   80    HE1  TYR  12           1HE      TYR  12  10.279  -0.816  -7.512
   81    HE2  TYR  12           2HE      TYR  12   7.160  -0.096  -4.637
   82    HH   TYR  12           HH       TYR  12   8.499   1.460  -5.462
   83    H    GLN  13           H        GLN  13   7.047  -6.203  -8.522
   84    HA   GLN  13           HA       GLN  13   6.873  -4.204 -10.546
   85   1HB   GLN  13          1HB       GLN  13   8.253  -6.431 -10.436
   86   2HB   GLN  13          2HB       GLN  13   6.836  -7.094 -11.223
   87   1HG   GLN  13          1HG       GLN  13   7.190  -5.925 -13.151
   88   2HG   GLN  13          2HG       GLN  13   7.908  -4.562 -12.317
   89   1HE2  GLN  13          2HE2      GLN  13   9.233  -5.015 -14.426
   90   2HE2  GLN  13          1HE2      GLN  13  10.684  -5.962 -14.179
   91    H    GLN  14           H        GLN  14   4.685  -6.616  -9.303
   92    HA   GLN  14           HA       GLN  14   2.786  -6.306 -11.449
   93   1HB   GLN  14          1HB       GLN  14   2.824  -7.776  -8.863
   94   2HB   GLN  14          2HB       GLN  14   1.310  -7.550  -9.717
   95   1HG   GLN  14          1HG       GLN  14   1.823  -9.156 -11.187
   96   2HG   GLN  14          2HG       GLN  14   3.375  -8.420 -11.529
   97   1HE2  GLN  14          2HE2      GLN  14   4.731  -8.523  -9.308
   98   2HE2  GLN  14          1HE2      GLN  14   4.983 -10.165  -8.759
   99    H    MET  15           H        MET  15   3.464  -4.743  -8.444
  100    HA   MET  15           HA       MET  15   0.967  -3.646  -7.830
  101   1HB   MET  15          1HB       MET  15   3.780  -3.054  -7.238
  102   2HB   MET  15          2HB       MET  15   2.703  -1.677  -7.121
  103   1HG   MET  15          1HG       MET  15   2.491  -2.503  -4.996
  104   2HG   MET  15          2HG       MET  15   1.214  -3.406  -5.785
  105   1HE   MET  15          1HE       MET  15   4.541  -3.438  -3.952
  106   2HE   MET  15          2HE       MET  15   3.075  -3.959  -3.053
  107   3HE   MET  15          3HE       MET  15   4.412  -5.125  -3.343
  108    H    GLU  16           H        GLU  16   3.594  -2.324  -9.840
  109    HA   GLU  16           HA       GLU  16   2.392   0.080 -10.538
  110   1HB   GLU  16          1HB       GLU  16   4.005   0.283 -12.159
  111   2HB   GLU  16          2HB       GLU  16   4.732  -0.928 -11.123
  112   1HG   GLU  16          1HG       GLU  16   3.620  -2.656 -12.648
  113   2HG   GLU  16          2HG       GLU  16   3.346  -1.328 -13.758
  114    H    GLU  17           H        GLU  17   1.868  -3.148 -11.836
  115    HA   GLU  17           HA       GLU  17   0.135  -2.207 -13.942
  116   1HB   GLU  17          1HB       GLU  17   1.562  -4.339 -13.946
  117   2HB   GLU  17          2HB       GLU  17   0.286  -5.032 -12.965
  118   1HG   GLU  17          1HG       GLU  17  -0.943  -3.706 -15.152
  119   2HG   GLU  17          2HG       GLU  17   0.355  -4.692 -15.796
  120    H    ALA  18           H        ALA  18  -0.170  -3.110 -10.630
  121    HA   ALA  18           HA       ALA  18  -3.075  -2.707 -10.822
  122   1HB   ALA  18          1HB       ALA  18  -2.696  -5.116 -10.673
  123   2HB   ALA  18          2HB       ALA  18  -1.667  -4.863  -9.221
  124   3HB   ALA  18          3HB       ALA  18  -3.425  -4.493  -9.152
  125    H    GLU  19           H        GLU  19  -2.040  -0.515 -10.348
  126    HA   GLU  19           HA       GLU  19  -0.948  -0.096  -7.743
  127   1HB   GLU  19          1HB       GLU  19  -0.528   1.419  -9.642
  128   2HB   GLU  19          2HB       GLU  19  -2.211   1.905  -9.598
  129   1HG   GLU  19          1HG       GLU  19  -1.775   2.526  -7.145
  130   2HG   GLU  19          2HG       GLU  19  -0.075   2.401  -7.545
  131    H    MET  20           H        MET  20  -2.835  -1.580  -6.936
  132    HA   MET  20           HA       MET  20  -5.339  -0.243  -6.479
  133   1HB   MET  20          1HB       MET  20  -5.952  -2.235  -5.326
  134   2HB   MET  20          2HB       MET  20  -5.055  -2.714  -6.752
  135   1HG   MET  20          1HG       MET  20  -3.097  -2.427  -4.834
  136   2HG   MET  20          2HG       MET  20  -4.434  -3.134  -3.949
  137   1HE   MET  20          1HE       MET  20  -1.515  -4.440  -4.541
  138   2HE   MET  20          2HE       MET  20  -2.765  -5.200  -3.496
  139   3HE   MET  20          3HE       MET  20  -2.010  -6.146  -4.826
  140    H    LEU  21           H        LEU  21  -2.276  -0.114  -5.101
  141    HA   LEU  21           HA       LEU  21  -3.227   0.417  -2.399
  142   1HB   LEU  21          1HB       LEU  21  -0.430   0.793  -3.307
  143   2HB   LEU  21          2HB       LEU  21  -1.033   0.369  -1.718
  144    HG   LEU  21           HG       LEU  21  -0.048  -1.568  -2.438
  145   1HD1  LEU  21          1HD1      LEU  21  -2.284  -2.030  -1.617
  146   2HD1  LEU  21          2HD1      LEU  21  -2.940  -1.836  -3.279
  147   3HD1  LEU  21          3HD1      LEU  21  -1.830  -3.199  -2.905
  148   1HD2  LEU  21          1HD2      LEU  21  -1.240  -1.122  -5.181
  149   2HD2  LEU  21          2HD2      LEU  21   0.477  -0.881  -4.704
  150   3HD2  LEU  21          3HD2      LEU  21  -0.235  -2.531  -4.696
  151    H    ASN  22           H        ASN  22  -3.542   2.033  -5.087
  152    HA   ASN  22           HA       ASN  22  -2.673   4.646  -4.032
  153   1HB   ASN  22          1HB       ASN  22  -2.033   4.373  -6.302
  154   2HB   ASN  22          2HB       ASN  22  -3.596   3.708  -6.733
  155   1HD2  ASN  22          2HD2      ASN  22  -1.899   6.599  -5.671
  156   2HD2  ASN  22          1HD2      ASN  22  -3.040   7.765  -6.301
  157    H    HIS  23           H        HIS  23  -5.486   2.848  -5.246
  158    HA   HIS  23           HA       HIS  23  -7.341   4.955  -4.878
  159   1HB   HIS  23          1HB       HIS  23  -7.727   1.987  -5.019
  160   2HB   HIS  23          2HB       HIS  23  -9.035   3.154  -5.018
  161    HD1  HIS  23           1HD      HIS  23  -9.823   3.884  -7.281
  162    HD2  HIS  23           2HD      HIS  23  -5.882   2.413  -7.292
  163    HE1  HIS  23           1HE      HIS  23  -9.065   3.873  -9.730
  164    HE2  HIS  23           2HE      HIS  23  -6.661   2.969  -9.716
  165    H    CYS  24           H        CYS  24  -6.669   2.058  -2.914
  166    HA   CYS  24           HA       CYS  24  -8.231   3.057  -0.709
  167   1HB   CYS  24          1HB       CYS  24  -6.889   0.623  -1.394
  168   2HB   CYS  24          2HB       CYS  24  -6.482   1.100   0.242
  169    H    GLY  25           H        GLY  25  -5.055   3.514  -1.895
  170   1HA   GLY  25          1HA       GLY  25  -3.856   4.283   0.616
  171   2HA   GLY  25          2HA       GLY  25  -3.183   4.504  -0.986
  172    H    MET  26           H        MET  26  -5.261   5.954  -2.164
  173    HA   MET  26           HA       MET  26  -4.615   8.586  -1.388
  174   1HB   MET  26          1HB       MET  26  -6.440   7.278  -3.292
  175   2HB   MET  26          2HB       MET  26  -6.911   8.887  -2.787
  176   1HG   MET  26          1HG       MET  26  -4.071   8.568  -3.501
  177   2HG   MET  26          2HG       MET  26  -5.205   8.402  -4.827
  178   1HE   MET  26          1HE       MET  26  -2.865  10.696  -4.086
  179   2HE   MET  26          2HE       MET  26  -3.661  10.558  -5.692
  180   3HE   MET  26          3HE       MET  26  -3.660  12.131  -4.821
  181    H    TYR  27           H        TYR  27  -7.485   6.572  -0.835
  182    HA   TYR  27           HA       TYR  27  -9.169   8.350   0.431
  183   1HB   TYR  27          1HB       TYR  27  -9.648   6.013  -0.111
  184   2HB   TYR  27          2HB       TYR  27  -8.519   5.490   1.122
  185    HD1  TYR  27           1HD      TYR  27  -9.430   4.739   3.120
  186    HD2  TYR  27           2HD      TYR  27 -11.518   7.733   0.850
  187    HE1  TYR  27           1HE      TYR  27 -11.272   4.722   4.800
  188    HE2  TYR  27           2HE      TYR  27 -13.363   7.720   2.528
  189    HH   TYR  27           HH       TYR  27 -14.094   6.850   4.417
  190    H    LEU  28           H        LEU  28  -6.227   6.896   1.624
  191    HA   LEU  28           HA       LEU  28  -6.722   7.861   4.335
  192   1HB   LEU  28          1HB       LEU  28  -4.180   6.587   3.510
  193   2HB   LEU  28          2HB       LEU  28  -5.030   6.498   5.039
  194    HG   LEU  28           HG       LEU  28  -6.241   5.245   2.650
  195   1HD1  LEU  28          1HD1      LEU  28  -3.939   4.475   2.524
  196   2HD1  LEU  28          2HD1      LEU  28  -3.999   3.995   4.256
  197   3HD1  LEU  28          3HD1      LEU  28  -5.021   3.140   3.051
  198   1HD2  LEU  28          1HD2      LEU  28  -6.216   4.525   5.586
  199   2HD2  LEU  28          2HD2      LEU  28  -7.546   5.342   4.694
  200   3HD2  LEU  28          3HD2      LEU  28  -7.111   3.644   4.301
  201    H    MET  29           H        MET  29  -4.992   8.679   1.456
  202    HA   MET  29           HA       MET  29  -3.269  10.619   2.699
  203   1HB   MET  29          1HB       MET  29  -3.435   9.334   0.230
  204   2HB   MET  29          2HB       MET  29  -3.701  11.032  -0.109
  205   1HG   MET  29          1HG       MET  29  -1.642  11.422   1.412
  206   2HG   MET  29          2HG       MET  29  -1.316   9.722   1.139
  207   1HE   MET  29          1HE       MET  29  -1.907  13.215  -0.512
  208   2HE   MET  29          2HE       MET  29  -0.260  12.999   0.177
  209   3HE   MET  29          3HE       MET  29  -0.474  13.194  -1.598
  210    H    LYS  30           H        LYS  30  -6.495  10.596   2.432
  211    HA   LYS  30           HA       LYS  30  -6.925  13.244   1.384
  212   1HB   LYS  30          1HB       LYS  30  -8.558  11.014   2.285
  213   2HB   LYS  30          2HB       LYS  30  -9.215  12.580   2.716
  214   1HG   LYS  30          1HG       LYS  30  -8.698  13.211   0.248
  215   2HG   LYS  30          2HG       LYS  30  -8.626  11.479  -0.011
  216   1HD   LYS  30          1HD       LYS  30 -10.932  11.553   1.302
  217   2HD   LYS  30          2HD       LYS  30 -10.958  13.191   0.680
  218   1HE   LYS  30          1HE       LYS  30 -10.187  11.257  -1.349
  219   2HE   LYS  30          2HE       LYS  30 -11.773  10.922  -0.682
  220   1HZ   LYS  30          1HZ       LYS  30 -12.396  13.170  -1.156
  221   2HZ   LYS  30          2HZ       LYS  30 -10.897  13.487  -1.786
  222   3HZ   LYS  30          3HZ       LYS  30 -11.899  12.403  -2.538
  223    H    ASN  31           H        ASN  31  -6.127  11.831   4.407
  224    HA   ASN  31           HA       ASN  31  -6.224  14.516   5.645
  225   1HB   ASN  31          1HB       ASN  31  -7.071  13.641   7.688
  226   2HB   ASN  31          2HB       ASN  31  -8.127  13.045   6.423
  227   1HD2  ASN  31          2HD2      ASN  31  -8.217  10.921   5.913
  228   2HD2  ASN  31          1HD2      ASN  31  -7.430   9.665   6.843
  229    H    LEU  32           H        LEU  32  -4.323  12.248   4.485
  230    HA   LEU  32           HA       LEU  32  -2.411  12.400   6.734
  231   1HB   LEU  32          1HB       LEU  32  -2.669  10.286   4.627
  232   2HB   LEU  32          2HB       LEU  32  -1.407  10.350   5.841
  233    HG   LEU  32           HG       LEU  32  -4.291  10.219   6.592
  234   1HD1  LEU  32          1HD1      LEU  32  -3.925   8.318   5.109
  235   2HD1  LEU  32          2HD1      LEU  32  -2.470   7.854   6.056
  236   3HD1  LEU  32          3HD1      LEU  32  -4.099   7.766   6.811
  237   1HD2  LEU  32          1HD2      LEU  32  -1.771   9.413   8.039
  238   2HD2  LEU  32          2HD2      LEU  32  -2.767  10.876   8.354
  239   3HD2  LEU  32          3HD2      LEU  32  -3.445   9.241   8.669
  240    H    GLY  33           H        GLY  33  -3.178  13.540   3.702
  241   1HA   GLY  33          1HA       GLY  33  -0.564  13.742   2.553
  242   2HA   GLY  33          2HA       GLY  33  -1.994  14.635   2.072
  243    H    GLU  34           H        GLU  34  -1.854  16.737   2.263
  244    HA   GLU  34           HA       GLU  34  -0.478  17.854   4.610
  245   1HB   GLU  34          1HB       GLU  34   0.948  17.723   2.377
  246   2HB   GLU  34          2HB       GLU  34   0.060  19.191   2.024
  247   1HG   GLU  34          1HG       GLU  34   1.362  20.368   3.417
  248   2HG   GLU  34          2HG       GLU  34   1.006  19.267   4.734
  249    H    ARG  35           H        ARG  35  -0.607  20.544   3.431
  250    HA   ARG  35           HA       ARG  35  -3.538  20.929   3.560
  251   1HB   ARG  35          1HB       ARG  35  -1.979  21.757   5.495
  252   2HB   ARG  35          2HB       ARG  35  -1.627  23.060   4.378
  253   1HG   ARG  35          1HG       ARG  35  -4.365  22.889   4.239
  254   2HG   ARG  35          2HG       ARG  35  -4.051  22.540   5.928
  255   1HD   ARG  35          1HD       ARG  35  -2.690  24.864   4.634
  256   2HD   ARG  35          2HD       ARG  35  -4.358  25.021   5.146
  257    HE   ARG  35           HE       ARG  35  -2.902  23.905   7.297
  258   1HH1  ARG  35          1HH2      ARG  35  -3.097  26.929   5.524
  259   2HH1  ARG  35          2HH2      ARG  35  -2.577  27.895   6.886
  260   1HH2  ARG  35          1HH1      ARG  35  -2.232  25.161   9.052
  261   2HH2  ARG  35          2HH1      ARG  35  -2.088  26.896   8.880
  262    H    SER  36           H        SER  36  -0.625  22.772   2.668
  263    HA   SER  36           HA       SER  36  -1.999  24.188   0.597
  264   1HB   SER  36          1HB       SER  36   0.030  25.272   0.168
  265   2HB   SER  36          2HB       SER  36   0.040  24.969   1.894
  266    HG   SER  36           HG       SER  36   2.038  24.445   0.900
  267    H    GLN  37           H        GLN  37  -2.351  23.704  -1.443
  268    HA   GLN  37           HA       GLN  37  -0.589  21.969  -2.915
  269   1HB   GLN  37          1HB       GLN  37  -2.396  20.585  -1.457
  270   2HB   GLN  37          2HB       GLN  37  -3.296  20.836  -2.938
  271   1HG   GLN  37          1HG       GLN  37  -0.822  20.112  -3.874
  272   2HG   GLN  37          2HG       GLN  37  -0.976  19.130  -2.431
  273   1HE2  GLN  37          2HE2      GLN  37  -1.107  17.218  -3.587
  274   2HE2  GLN  37          1HE2      GLN  37  -2.534  16.772  -4.494
  275    H    VAL  38           H        VAL  38  -1.711  21.399  -5.117
  276    HA   VAL  38           HA       VAL  38  -2.048  23.707  -6.539
  277    HB   VAL  38           HB       VAL  38  -1.895  21.223  -7.250
  278   1HG1  VAL  38          1HG1      VAL  38  -4.056  20.499  -6.385
  279   2HG1  VAL  38          2HG1      VAL  38  -4.879  21.695  -7.446
  280   3HG1  VAL  38          3HG1      VAL  38  -3.987  20.313  -8.172
  281   1HG2  VAL  38          1HG2      VAL  38  -3.395  23.284  -8.889
  282   2HG2  VAL  38          2HG2      VAL  38  -1.610  23.105  -8.773
  283   3HG2  VAL  38          3HG2      VAL  38  -2.596  21.812  -9.541
  284    H    SER  39           H        SER  39  -3.537  25.213  -6.893
  285    HA   SER  39           HA       SER  39  -5.557  25.792  -5.179
  286   1HB   SER  39          1HB       SER  39  -4.856  26.611  -7.816
  287   2HB   SER  39          2HB       SER  39  -6.598  26.459  -7.715
  288    HG   SER  39           HG       SER  39  -5.863  28.543  -7.098
  289    HA   PRO  40           HA       PRO  40  -8.688  23.176  -7.553
  290   1HB   PRO  40          1HB       PRO  40  -7.812  21.505  -9.546
  291   2HB   PRO  40          2HB       PRO  40  -8.468  23.111  -9.792
  292   1HG   PRO  40          1HG       PRO  40  -5.676  22.207  -9.960
  293   2HG   PRO  40          2HG       PRO  40  -6.407  23.656 -10.621
  294   1HD   PRO  40          1HD       PRO  40  -4.799  23.452  -8.293
  295   2HD   PRO  40          2HD       PRO  40  -5.623  24.877  -8.891
  296    H    ARG  41           H        ARG  41  -8.809  20.504  -8.253
  297    HA   ARG  41           HA       ARG  41  -7.065  18.940  -6.585
  298   1HB   ARG  41          1HB       ARG  41  -8.855  20.107  -5.058
  299   2HB   ARG  41          2HB       ARG  41  -9.901  18.849  -5.686
  300   1HG   ARG  41          1HG       ARG  41  -8.421  17.128  -4.867
  301   2HG   ARG  41          2HG       ARG  41  -7.225  18.319  -4.398
  302   1HD   ARG  41          1HD       ARG  41  -8.235  17.978  -2.360
  303   2HD   ARG  41          2HD       ARG  41  -9.253  19.267  -2.971
  304    HE   ARG  41           HE       ARG  41  -9.989  16.444  -2.629
  305   1HH1  ARG  41          1HH2      ARG  41 -10.832  19.539  -4.070
  306   2HH1  ARG  41          2HH2      ARG  41 -12.511  19.100  -4.295
  307   1HH2  ARG  41          1HH1      ARG  41 -12.152  15.894  -2.934
  308   2HH2  ARG  41          2HH1      ARG  41 -13.258  17.042  -3.654
  309    H    MET  42           H        MET  42  -6.803  17.923  -8.606
  310    HA   MET  42           HA       MET  42  -8.680  16.909 -10.300
  311   1HB   MET  42          1HB       MET  42  -7.097  15.063 -10.744
  312   2HB   MET  42          2HB       MET  42  -6.308  16.625 -10.669
  313   1HG   MET  42          1HG       MET  42  -5.076  16.032  -8.880
  314   2HG   MET  42          2HG       MET  42  -6.451  15.305  -8.073
  315   1HE   MET  42          1HE       MET  42  -4.367  14.748 -11.375
  316   2HE   MET  42          2HE       MET  42  -3.231  14.828  -9.984
  317   3HE   MET  42          3HE       MET  42  -3.446  13.285 -10.883
  318    H    ARG  43           H        ARG  43 -10.012  15.162 -10.501
  319    HA   ARG  43           HA       ARG  43 -10.123  13.134  -8.435
  320   1HB   ARG  43          1HB       ARG  43 -11.421  15.212  -7.586
  321   2HB   ARG  43          2HB       ARG  43 -12.623  14.736  -8.768
  322   1HG   ARG  43          1HG       ARG  43 -12.852  12.560  -7.731
  323   2HG   ARG  43          2HG       ARG  43 -11.540  12.911  -6.624
  324   1HD   ARG  43          1HD       ARG  43 -13.562  13.262  -5.403
  325   2HD   ARG  43          2HD       ARG  43 -12.929  14.853  -5.777
  326    HE   ARG  43           HE       ARG  43 -14.790  15.273  -7.089
  327   1HH1  ARG  43          1HH2      ARG  43 -14.549  11.825  -6.488
  328   2HH1  ARG  43          2HH2      ARG  43 -16.088  11.464  -7.236
  329   1HH2  ARG  43          1HH1      ARG  43 -16.771  14.800  -8.068
  330   2HH2  ARG  43          2HH1      ARG  43 -17.347  13.149  -8.132
  331    H    GLU  44           H        GLU  44 -10.599  11.302  -9.378
  332    HA   GLU  44           HA       GLU  44 -12.643  11.210 -11.448
  333   1HB   GLU  44          1HB       GLU  44 -10.559  11.775 -12.688
  334   2HB   GLU  44          2HB       GLU  44  -9.863  10.274 -12.110
  335   1HG   GLU  44          1HG       GLU  44 -12.289   9.471 -13.145
  336   2HG   GLU  44          2HG       GLU  44 -11.782  10.723 -14.261
  337    H    GLU  45           H        GLU  45  -9.968   9.334 -10.035
  338    HA   GLU  45           HA       GLU  45 -11.365   6.867 -10.174
  339   1HB   GLU  45          1HB       GLU  45  -9.566   5.952  -8.884
  340   2HB   GLU  45          2HB       GLU  45  -8.897   7.067 -10.059
  341   1HG   GLU  45          1HG       GLU  45  -9.582   8.220  -7.427
  342   2HG   GLU  45          2HG       GLU  45  -8.232   7.102  -7.449
  343    H    ASP  46           H        ASP  46 -11.614   5.516  -8.088
  344    HA   ASP  46           HA       ASP  46 -12.891   7.163  -5.987
  345   1HB   ASP  46          1HB       ASP  46 -14.394   5.860  -7.812
  346   2HB   ASP  46          2HB       ASP  46 -14.161   4.587  -6.630
  347    H    HIS  47           H        HIS  47 -13.579   5.522  -4.141
  348    HA   HIS  47           HA       HIS  47 -11.598   3.396  -3.846
  349   1HB   HIS  47          1HB       HIS  47 -11.826   5.244  -1.558
  350   2HB   HIS  47          2HB       HIS  47 -10.499   4.206  -2.036
  351    HD1  HIS  47           1HD      HIS  47 -11.319   7.669  -1.830
  352    HD2  HIS  47           2HD      HIS  47  -9.298   5.257  -4.615
  353    HE1  HIS  47           1HE      HIS  47  -9.880   9.246  -3.247
  354    HE2  HIS  47           2HE      HIS  47  -8.656   7.752  -4.942
  355    H    LYS  48           H        LYS  48 -12.450   1.650  -3.007
  356    HA   LYS  48           HA       LYS  48 -14.324   1.633  -0.907
  357   1HB   LYS  48          1HB       LYS  48 -15.567   2.393  -3.217
  358   2HB   LYS  48          2HB       LYS  48 -15.858   0.664  -3.188
  359   1HG   LYS  48          1HG       LYS  48 -17.521   1.058  -1.736
  360   2HG   LYS  48          2HG       LYS  48 -16.298   1.500  -0.562
  361   1HD   LYS  48          1HD       LYS  48 -16.441   3.815  -1.892
  362   2HD   LYS  48          2HD       LYS  48 -18.067   3.235  -2.189
  363   1HE   LYS  48          1HE       LYS  48 -17.130   2.994   0.593
  364   2HE   LYS  48          2HE       LYS  48 -17.357   4.633   0.015
  365   1HZ   LYS  48          1HZ       LYS  48 -19.570   4.044  -0.637
  366   2HZ   LYS  48          2HZ       LYS  48 -19.355   2.496  -0.089
  367   3HZ   LYS  48          3HZ       LYS  48 -19.348   3.761   0.980
  368    H    GLN  49           H        GLN  49 -14.368  -0.336  -3.845
  369    HA   GLN  49           HA       GLN  49 -13.128  -2.515  -2.273
  370   1HB   GLN  49          1HB       GLN  49 -15.498  -2.590  -4.088
  371   2HB   GLN  49          2HB       GLN  49 -14.521  -4.022  -3.831
  372   1HG   GLN  49          1HG       GLN  49 -14.936  -3.944  -1.454
  373   2HG   GLN  49          2HG       GLN  49 -15.772  -2.413  -1.613
  374   1HE2  GLN  49          2HE2      GLN  49 -16.332  -5.449  -0.923
  375   2HE2  GLN  49          1HE2      GLN  49 -17.887  -5.720  -1.677
  376    H    LEU  50           H        LEU  50 -12.728  -0.397  -4.739
  377    HA   LEU  50           HA       LEU  50 -11.727  -1.982  -6.829
  378   1HB   LEU  50          1HB       LEU  50 -10.514   0.654  -6.260
  379   2HB   LEU  50          2HB       LEU  50 -11.019  -0.042  -7.787
  380    HG   LEU  50           HG       LEU  50 -13.397   0.251  -6.601
  381   1HD1  LEU  50          1HD1      LEU  50 -12.494   1.246  -4.574
  382   2HD1  LEU  50          2HD1      LEU  50 -11.703   2.530  -5.554
  383   3HD1  LEU  50          3HD1      LEU  50 -13.497   2.439  -5.471
  384   1HD2  LEU  50          1HD2      LEU  50 -11.923   2.378  -8.164
  385   2HD2  LEU  50          2HD2      LEU  50 -12.841   0.991  -8.848
  386   3HD2  LEU  50          3HD2      LEU  50 -13.706   2.284  -7.946
  387    H    CYS  51           H        CYS  51 -10.404  -1.036  -3.757
  388    HA   CYS  51           HA       CYS  51  -7.726  -1.936  -4.450
  389   1HB   CYS  51          1HB       CYS  51  -7.182  -1.436  -2.139
  390   2HB   CYS  51          2HB       CYS  51  -7.968  -0.082  -2.925
  391    H    CYS  52           H        CYS  52 -10.414  -2.966  -2.357
  392    HA   CYS  52           HA       CYS  52  -9.181  -5.397  -1.554
  393   1HB   CYS  52          1HB       CYS  52 -11.243  -4.148  -0.594
  394   2HB   CYS  52          2HB       CYS  52 -12.131  -5.123  -1.748
  395    H    MET  53           H        MET  53 -10.375  -4.343  -4.510
  396    HA   MET  53           HA       MET  53 -11.139  -6.979  -5.478
  397   1HB   MET  53          1HB       MET  53 -12.415  -4.995  -6.171
  398   2HB   MET  53          2HB       MET  53 -10.965  -4.324  -6.890
  399   1HG   MET  53          1HG       MET  53 -11.134  -6.861  -7.988
  400   2HG   MET  53          2HG       MET  53 -12.796  -6.308  -7.951
  401   1HE   MET  53          1HE       MET  53  -9.771  -6.540  -9.978
  402   2HE   MET  53          2HE       MET  53 -11.382  -6.962 -10.653
  403   3HE   MET  53          3HE       MET  53 -10.411  -5.649 -11.404
  404    H    GLN  54           H        GLN  54  -9.031  -4.434  -6.812
  405    HA   GLN  54           HA       GLN  54  -7.541  -6.040  -8.483
  406   1HB   GLN  54          1HB       GLN  54  -6.935  -3.510  -7.040
  407   2HB   GLN  54          2HB       GLN  54  -5.664  -4.310  -7.943
  408   1HG   GLN  54          1HG       GLN  54  -8.202  -4.059  -9.387
  409   2HG   GLN  54          2HG       GLN  54  -7.430  -2.532  -9.008
  410   1HE2  GLN  54          2HE2      GLN  54  -5.762  -1.841 -10.153
  411   2HE2  GLN  54          1HE2      GLN  54  -4.946  -2.754 -11.402
  412    H    LEU  55           H        LEU  55  -7.190  -5.564  -5.015
  413    HA   LEU  55           HA       LEU  55  -4.696  -6.770  -4.667
  414   1HB   LEU  55          1HB       LEU  55  -7.043  -6.245  -2.997
  415   2HB   LEU  55          2HB       LEU  55  -5.931  -7.468  -2.414
  416    HG   LEU  55           HG       LEU  55  -4.637  -5.010  -3.271
  417   1HD1  LEU  55          1HD1      LEU  55  -6.664  -3.971  -2.396
  418   2HD1  LEU  55          2HD1      LEU  55  -6.492  -4.915  -0.875
  419   3HD1  LEU  55          3HD1      LEU  55  -5.270  -3.666  -1.301
  420   1HD2  LEU  55          1HD2      LEU  55  -4.509  -6.641  -0.721
  421   2HD2  LEU  55          2HD2      LEU  55  -3.417  -6.790  -2.141
  422   3HD2  LEU  55          3HD2      LEU  55  -3.406  -5.289  -1.153
  423    H    LYS  56           H        LYS  56  -7.856  -8.156  -5.199
  424    HA   LYS  56           HA       LYS  56  -6.969 -10.856  -4.733
  425   1HB   LYS  56          1HB       LYS  56  -9.244 -10.289  -4.244
  426   2HB   LYS  56          2HB       LYS  56  -9.510  -9.771  -5.897
  427   1HG   LYS  56          1HG       LYS  56  -9.816 -11.882  -6.626
  428   2HG   LYS  56          2HG       LYS  56  -8.464 -12.491  -5.695
  429   1HD   LYS  56          1HD       LYS  56  -9.820 -12.633  -3.710
  430   2HD   LYS  56          2HD       LYS  56 -11.157 -11.836  -4.515
  431   1HE   LYS  56          1HE       LYS  56 -10.004 -14.504  -5.321
  432   2HE   LYS  56          2HE       LYS  56 -11.467 -14.288  -4.380
  433   1HZ   LYS  56          1HZ       LYS  56 -12.410 -13.091  -6.209
  434   2HZ   LYS  56          2HZ       LYS  56 -11.028 -13.295  -7.099
  435   3HZ   LYS  56          3HZ       LYS  56 -11.950 -14.607  -6.688
  436    H    ASN  57           H        ASN  57  -6.205  -8.728  -7.036
  437    HA   ASN  57           HA       ASN  57  -6.228 -10.639  -9.265
  438   1HB   ASN  57          1HB       ASN  57  -6.575  -7.891  -9.157
  439   2HB   ASN  57          2HB       ASN  57  -4.938  -8.090  -9.751
  440   1HD2  ASN  57          2HD2      ASN  57  -7.954  -7.581 -10.708
  441   2HD2  ASN  57          1HD2      ASN  57  -7.985  -8.416 -12.245
  442    H    LEU  58           H        LEU  58  -4.179  -9.136  -6.897
  443    HA   LEU  58           HA       LEU  58  -1.710  -9.641  -8.227
  444   1HB   LEU  58          1HB       LEU  58  -2.593  -8.518  -5.735
  445   2HB   LEU  58          2HB       LEU  58  -1.189  -9.541  -5.510
  446    HG   LEU  58           HG       LEU  58  -1.440  -7.082  -7.183
  447   1HD1  LEU  58          1HD1      LEU  58  -0.939  -6.717  -4.819
  448   2HD1  LEU  58          2HD1      LEU  58   0.443  -7.862  -4.935
  449   3HD1  LEU  58          3HD1      LEU  58   0.484  -6.308  -5.840
  450   1HD2  LEU  58          1HD2      LEU  58   0.834  -9.075  -7.204
  451   2HD2  LEU  58          2HD2      LEU  58  -0.296  -8.734  -8.559
  452   3HD2  LEU  58          3HD2      LEU  58   0.845  -7.463  -7.999
  453    H    ASP  59           H        ASP  59  -2.329 -11.021  -5.063
  454    HA   ASP  59           HA       ASP  59  -2.768 -13.667  -5.597
  455   1HB   ASP  59          1HB       ASP  59  -0.192 -12.935  -6.576
  456   2HB   ASP  59          2HB       ASP  59   0.012 -13.989  -5.192
  457    H    GLU  60           H        GLU  60  -2.541 -14.971  -3.758
  458    HA   GLU  60           HA       GLU  60  -2.485 -13.573  -1.297
  459   1HB   GLU  60          1HB       GLU  60  -3.115 -16.185  -2.175
  460   2HB   GLU  60          2HB       GLU  60  -1.975 -16.328  -0.851
  461   1HG   GLU  60          1HG       GLU  60  -3.384 -15.050   0.603
  462   2HG   GLU  60          2HG       GLU  60  -4.439 -14.598  -0.721
  463    H    LYS  61           H        LYS  61   0.014 -14.591  -3.312
  464    HA   LYS  61           HA       LYS  61   1.938 -14.833  -1.124
  465   1HB   LYS  61          1HB       LYS  61   2.141 -16.475  -2.843
  466   2HB   LYS  61          2HB       LYS  61   2.181 -15.241  -4.087
  467   1HG   LYS  61          1HG       LYS  61   4.386 -14.941  -3.826
  468   2HG   LYS  61          2HG       LYS  61   4.218 -14.775  -2.090
  469   1HD   LYS  61          1HD       LYS  61   3.869 -17.520  -2.979
  470   2HD   LYS  61          2HD       LYS  61   5.441 -16.874  -3.403
  471   1HE   LYS  61          1HE       LYS  61   4.276 -16.690  -0.632
  472   2HE   LYS  61          2HE       LYS  61   5.327 -17.993  -1.147
  473   1HZ   LYS  61          1HZ       LYS  61   6.994 -16.385  -1.652
  474   2HZ   LYS  61          2HZ       LYS  61   6.000 -15.153  -1.165
  475   3HZ   LYS  61          3HZ       LYS  61   6.536 -16.268  -0.065
  476    H    CYS  62           H        CYS  62   0.705 -12.545  -3.350
  477    HA   CYS  62           HA       CYS  62   2.922 -10.704  -2.720
  478   1HB   CYS  62          1HB       CYS  62   0.962 -10.744  -4.979
  479   2HB   CYS  62          2HB       CYS  62   1.972  -9.358  -4.615
  480    H    MET  63           H        MET  63   0.216 -11.633  -1.385
  481    HA   MET  63           HA       MET  63  -0.863  -8.937  -0.898
  482   1HB   MET  63          1HB       MET  63  -1.980 -11.682  -0.785
  483   2HB   MET  63          2HB       MET  63  -2.662 -10.450   0.258
  484   1HG   MET  63          1HG       MET  63  -2.827  -9.024  -1.872
  485   2HG   MET  63          2HG       MET  63  -2.585 -10.529  -2.733
  486   1HE   MET  63          1HE       MET  63  -4.068 -12.751  -2.083
  487   2HE   MET  63          2HE       MET  63  -3.946 -12.367  -0.331
  488   3HE   MET  63          3HE       MET  63  -5.556 -12.645  -1.081
  489    H    CYS  64           H        CYS  64   1.379  -8.943   0.316
  490    HA   CYS  64           HA       CYS  64   0.914  -8.597   3.003
  491   1HB   CYS  64          1HB       CYS  64   0.655 -10.667   3.818
  492   2HB   CYS  64          2HB       CYS  64   1.312 -11.415   2.376
  493    HA   PRO  65           HA       PRO  65   5.539  -8.797   2.144
  494   1HB   PRO  65          1HB       PRO  65   6.436  -9.963  -0.180
  495   2HB   PRO  65          2HB       PRO  65   6.349 -10.759   1.378
  496   1HG   PRO  65          1HG       PRO  65   4.624 -11.098  -0.968
  497   2HG   PRO  65          2HG       PRO  65   4.831 -12.160   0.410
  498   1HD   PRO  65          1HD       PRO  65   2.663 -10.396  -0.090
  499   2HD   PRO  65          2HD       PRO  65   2.927 -11.373   1.340
  500    H    ALA  66           H        ALA  66   3.555  -8.488  -0.722
  501    HA   ALA  66           HA       ALA  66   5.159  -6.491  -1.975
  502   1HB   ALA  66          1HB       ALA  66   3.595  -7.897  -3.229
  503   2HB   ALA  66          2HB       ALA  66   2.225  -7.189  -2.305
  504   3HB   ALA  66          3HB       ALA  66   3.186  -6.158  -3.422
  505    H    ILE  67           H        ILE  67   2.242  -6.412   0.050
  506    HA   ILE  67           HA       ILE  67   1.619  -3.768   0.063
  507    HB   ILE  67           HB       ILE  67   1.775  -5.584   2.434
  508   1HG1  ILE  67          1HG1      ILE  67   0.194  -5.737   0.156
  509   2HG1  ILE  67          2HG1      ILE  67  -0.030  -6.610   1.658
  510   1HG2  ILE  67          1HG2      ILE  67   1.672  -3.279   3.194
  511   2HG2  ILE  67          2HG2      ILE  67   0.265  -2.982   2.114
  512   3HG2  ILE  67          3HG2      ILE  67   0.111  -4.117   3.501
  513   1HD1  ILE  67          1HD1      ILE  67  -1.443  -4.788   2.535
  514   2HD1  ILE  67          2HD1      ILE  67  -1.213  -3.891   0.995
  515   3HD1  ILE  67          3HD1      ILE  67  -2.102  -5.453   1.001
  516    H    MET  68           H        MET  68   4.370  -5.274   1.669
  517    HA   MET  68           HA       MET  68   5.315  -3.088   3.116
  518   1HB   MET  68          1HB       MET  68   6.278  -5.637   2.263
  519   2HB   MET  68          2HB       MET  68   7.540  -4.443   2.037
  520   1HG   MET  68          1HG       MET  68   7.859  -5.182   4.235
  521   2HG   MET  68          2HG       MET  68   6.970  -3.684   4.427
  522   1HE   MET  68          1HE       MET  68   7.357  -6.534   6.263
  523   2HE   MET  68          2HE       MET  68   6.756  -4.984   6.946
  524   3HE   MET  68          3HE       MET  68   5.785  -6.485   7.134
  525    H    MET  69           H        MET  69   6.570  -4.157  -0.049
  526    HA   MET  69           HA       MET  69   8.057  -1.857  -0.588
  527   1HB   MET  69          1HB       MET  69   6.741  -3.881  -2.373
  528   2HB   MET  69          2HB       MET  69   7.760  -2.600  -2.999
  529   1HG   MET  69          1HG       MET  69   8.622  -4.634  -0.950
  530   2HG   MET  69          2HG       MET  69   8.998  -4.715  -2.660
  531   1HE   MET  69          1HE       MET  69  10.870  -4.506   0.148
  532   2HE   MET  69          2HE       MET  69  11.525  -4.981  -1.457
  533   3HE   MET  69          3HE       MET  69  12.276  -3.625  -0.545
  534    H    MET  70           H        MET  70   4.643  -2.413  -0.782
  535    HA   MET  70           HA       MET  70   4.007  -0.333  -2.610
  536   1HB   MET  70          1HB       MET  70   2.204  -1.676  -2.418
  537   2HB   MET  70          2HB       MET  70   2.586  -2.119  -0.767
  538   1HG   MET  70          1HG       MET  70   1.903   0.421  -0.345
  539   2HG   MET  70          2HG       MET  70   0.953   0.134  -1.789
  540   1HE   MET  70          1HE       MET  70   0.009   0.816   1.304
  541   2HE   MET  70          2HE       MET  70  -1.105   0.793  -0.107
  542   3HE   MET  70          3HE       MET  70  -1.494  -0.170   1.360
  543    H    LEU  71           H        LEU  71   3.915  -0.536   0.949
  544    HA   LEU  71           HA       LEU  71   3.402   2.318   1.125
  545   1HB   LEU  71          1HB       LEU  71   3.854   0.347   3.332
  546   2HB   LEU  71          2HB       LEU  71   3.202   1.965   3.487
  547    HG   LEU  71           HG       LEU  71   1.651   0.409   1.648
  548   1HD1  LEU  71          1HD1      LEU  71   2.427  -1.520   2.914
  549   2HD1  LEU  71          2HD1      LEU  71   1.935  -0.713   4.444
  550   3HD1  LEU  71          3HD1      LEU  71   0.688  -1.200   3.243
  551   1HD2  LEU  71          1HD2      LEU  71   0.987   1.711   4.303
  552   2HD2  LEU  71          2HD2      LEU  71   0.872   2.478   2.680
  553   3HD2  LEU  71          3HD2      LEU  71  -0.210   1.107   3.104
  554    H    ASN  72           H        ASN  72   5.988   0.735   0.255
  555    HA   ASN  72           HA       ASN  72   7.836   2.549   1.690
  556   1HB   ASN  72          1HB       ASN  72   8.233  -0.320   0.880
  557   2HB   ASN  72          2HB       ASN  72   9.563   0.747   1.284
  558   1HD2  ASN  72          2HD2      ASN  72   6.328   0.010   2.609
  559   2HD2  ASN  72          1HD2      ASN  72   6.862  -0.182   4.264
  560    H    GLU  73           H        GLU  73   6.296   2.028  -1.095
  561    HA   GLU  73           HA       GLU  73   8.450   2.097  -2.974
  562   1HB   GLU  73          1HB       GLU  73   6.854   1.970  -4.583
  563   2HB   GLU  73          2HB       GLU  73   5.898   1.412  -3.224
  564   1HG   GLU  73          1HG       GLU  73   5.087   3.730  -2.886
  565   2HG   GLU  73          2HG       GLU  73   5.980   4.224  -4.309
  566    HA   PRO  74           HA       PRO  74   9.133   6.351  -3.429
  567   1HB   PRO  74          1HB       PRO  74   8.897   6.900  -6.102
  568   2HB   PRO  74          2HB       PRO  74  10.287   6.147  -5.346
  569   1HG   PRO  74          1HG       PRO  74   8.203   4.925  -7.021
  570   2HG   PRO  74          2HG       PRO  74   9.802   4.322  -6.636
  571   1HD   PRO  74          1HD       PRO  74   7.331   3.499  -5.506
  572   2HD   PRO  74          2HD       PRO  74   8.937   2.965  -5.052
  573    H    MET  75           H        MET  75   6.585   5.866  -2.526
  574    HA   MET  75           HA       MET  75   5.309   8.344  -3.089
  575   1HB   MET  75          1HB       MET  75   4.784   6.706  -5.089
  576   2HB   MET  75          2HB       MET  75   3.613   6.062  -3.955
  577   1HG   MET  75          1HG       MET  75   2.276   7.690  -4.792
  578   2HG   MET  75          2HG       MET  75   3.160   8.723  -3.688
  579   1HE   MET  75          1HE       MET  75   2.244  10.681  -5.371
  580   2HE   MET  75          2HE       MET  75   3.792  10.934  -4.492
  581   3HE   MET  75          3HE       MET  75   3.657  11.392  -6.225
  582    H    TRP  76           H        TRP  76   6.228   6.543  -0.904
  583    HA   TRP  76           HA       TRP  76   4.050   7.003   0.871
  584   1HB   TRP  76          1HB       TRP  76   4.590   4.175   0.050
  585   2HB   TRP  76          2HB       TRP  76   3.721   4.617   1.505
  586    HD1  TRP  76           HD       TRP  76   3.082   3.736  -2.018
  587    HE1  TRP  76           1HE      TRP  76   0.670   4.333  -2.759
  588    HE3  TRP  76           3HE      TRP  76   1.884   6.689   1.936
  589    HZ2  TRP  76           2HZ      TRP  76  -1.470   5.919  -1.729
  590    HZ3  TRP  76           3HZ      TRP  76  -0.357   7.756   1.995
  591    HH2  TRP  76           HH       TRP  76  -2.021   7.383   0.219
  592    H    ILE  77           H        ILE  77   6.084   8.217   1.369
  593    HA   ILE  77           HA       ILE  77   8.059   6.522   2.750
  594    HB   ILE  77           HB       ILE  77   8.166   9.338   1.767
  595   1HG1  ILE  77          1HG1      ILE  77   9.916   8.591   0.342
  596   2HG1  ILE  77          2HG1      ILE  77   9.976   7.032   1.141
  597   1HG2  ILE  77          1HG2      ILE  77   9.210   9.337   3.973
  598   2HG2  ILE  77          2HG2      ILE  77  10.219   7.927   3.497
  599   3HG2  ILE  77          3HG2      ILE  77  10.452   9.514   2.685
  600   1HD1  ILE  77          1HD1      ILE  77   7.696   6.511   0.346
  601   2HD1  ILE  77          2HD1      ILE  77   7.634   8.110  -0.473
  602   3HD1  ILE  77          3HD1      ILE  77   8.807   6.863  -1.024
  603    H    ARG  78           H        ARG  78   7.720   9.814   3.696
  604    HA   ARG  78           HA       ARG  78   7.228   9.057   6.409
  605   1HB   ARG  78          1HB       ARG  78   7.667  11.573   4.927
  606   2HB   ARG  78          2HB       ARG  78   6.775  11.696   6.431
  607   1HG   ARG  78          1HG       ARG  78   8.793  11.772   7.422
  608   2HG   ARG  78          2HG       ARG  78   8.862  10.048   7.114
  609   1HD   ARG  78          1HD       ARG  78  10.510  10.298   5.614
  610   2HD   ARG  78          2HD       ARG  78   9.650  11.579   4.785
  611    HE   ARG  78           HE       ARG  78  10.777  12.498   7.274
  612   1HH1  ARG  78          1HH2      ARG  78  11.584  11.782   3.937
  613   2HH1  ARG  78          2HH2      ARG  78  12.945  12.881   3.905
  614   1HH2  ARG  78          1HH1      ARG  78  12.536  13.918   7.229
  615   2HH2  ARG  78          2HH1      ARG  78  13.484  14.088   5.769
  616    H    MET  79           H        MET  79   5.366  10.853   3.976
  617    HA   MET  79           HA       MET  79   3.038  11.314   5.362
  618   1HB   MET  79          1HB       MET  79   2.012  10.719   2.962
  619   2HB   MET  79          2HB       MET  79   2.891  12.202   3.278
  620   1HG   MET  79          1HG       MET  79   4.729  11.527   2.096
  621   2HG   MET  79          2HG       MET  79   4.497   9.838   2.496
  622   1HE   MET  79          1HE       MET  79   3.283   8.152   1.150
  623   2HE   MET  79          2HE       MET  79   1.789   8.956   1.743
  624   3HE   MET  79          3HE       MET  79   1.957   8.545   0.001
  625    H    ARG  80           H        ARG  80   4.289   8.271   4.247
  626    HA   ARG  80           HA       ARG  80   1.805   6.847   4.527
  627   1HB   ARG  80          1HB       ARG  80   3.062   5.612   3.126
  628   2HB   ARG  80          2HB       ARG  80   4.568   6.221   3.781
  629   1HG   ARG  80          1HG       ARG  80   2.881   4.307   5.350
  630   2HG   ARG  80          2HG       ARG  80   3.996   3.725   4.131
  631   1HD   ARG  80          1HD       ARG  80   5.321   5.648   5.795
  632   2HD   ARG  80          2HD       ARG  80   4.580   4.420   6.801
  633    HE   ARG  80           HE       ARG  80   5.812   2.952   4.861
  634   1HH1  ARG  80          1HH2      ARG  80   6.921   5.453   7.061
  635   2HH1  ARG  80          2HH2      ARG  80   8.556   4.833   7.118
  636   1HH2  ARG  80          1HH1      ARG  80   7.930   2.169   4.938
  637   2HH2  ARG  80          2HH1      ARG  80   9.123   2.984   5.923
  638    H    ASP  81           H        ASP  81   4.543   7.606   6.551
  639    HA   ASP  81           HA       ASP  81   4.530   5.805   8.558
  640   1HB   ASP  81          1HB       ASP  81   5.612   8.209   8.354
  641   2HB   ASP  81          2HB       ASP  81   4.265   8.643   9.386
  642    H    GLN  82           H        GLN  82   1.994   8.087   7.758
  643    HA   GLN  82           HA       GLN  82   0.457   7.318  10.120
  644   1HB   GLN  82          1HB       GLN  82  -0.418   9.209   7.985
  645   2HB   GLN  82          2HB       GLN  82  -0.937   9.128   9.656
  646   1HG   GLN  82          1HG       GLN  82   1.264   9.875  10.390
  647   2HG   GLN  82          2HG       GLN  82   1.813   9.921   8.726
  648   1HE2  GLN  82          2HE2      GLN  82   2.145  11.962   8.245
  649   2HE2  GLN  82          1HE2      GLN  82   0.997  13.263   8.473
  650    H    VAL  83           H        VAL  83   0.304   7.169   6.599
  651    HA   VAL  83           HA       VAL  83  -2.190   5.766   6.544
  652    HB   VAL  83           HB       VAL  83  -2.033   5.855   4.293
  653   1HG1  VAL  83          1HG1      VAL  83  -1.768   8.143   5.105
  654   2HG1  VAL  83          2HG1      VAL  83   0.017   7.927   5.124
  655   3HG1  VAL  83          3HG1      VAL  83  -0.875   7.906   3.563
  656   1HG2  VAL  83          1HG2      VAL  83   0.976   5.595   4.495
  657   2HG2  VAL  83          2HG2      VAL  83  -0.181   4.290   4.059
  658   3HG2  VAL  83          3HG2      VAL  83   0.034   5.702   2.967
  659    H    MET  84           H        MET  84   0.783   4.869   7.611
  660    HA   MET  84           HA       MET  84   0.944   2.207   6.583
  661   1HB   MET  84          1HB       MET  84   2.589   3.962   8.033
  662   2HB   MET  84          2HB       MET  84   2.324   2.571   9.065
  663   1HG   MET  84          1HG       MET  84   2.833   1.250   6.834
  664   2HG   MET  84          2HG       MET  84   3.676   2.730   6.421
  665   1HE   MET  84          1HE       MET  84   5.522   3.859   7.989
  666   2HE   MET  84          2HE       MET  84   4.424   3.704   9.404
  667   3HE   MET  84          3HE       MET  84   6.114   3.099   9.506
  668    H    SER  85           H        SER  85  -0.693   3.814   9.168
  669    HA   SER  85           HA       SER  85  -1.272   1.270  10.519
  670   1HB   SER  85          1HB       SER  85  -0.887   3.871  11.451
  671   2HB   SER  85          2HB       SER  85  -2.599   3.556  11.645
  672    HG   SER  85           HG       SER  85  -1.371   2.870  13.472
  673    H    MET  86           H        MET  86  -2.325   2.522   7.841
  674    HA   MET  86           HA       MET  86  -5.176   1.987   8.434
  675   1HB   MET  86          1HB       MET  86  -3.858   3.994   6.652
  676   2HB   MET  86          2HB       MET  86  -5.481   3.430   6.304
  677   1HG   MET  86          1HG       MET  86  -4.600   4.675   8.905
  678   2HG   MET  86          2HG       MET  86  -5.493   5.500   7.643
  679   1HE   MET  86          1HE       MET  86  -6.630   5.591  10.481
  680   2HE   MET  86          2HE       MET  86  -7.514   6.201   9.038
  681   3HE   MET  86          3HE       MET  86  -8.346   5.123  10.213
  682    H    ALA  87           H        ALA  87  -2.515   1.690   6.142
  683    HA   ALA  87           HA       ALA  87  -4.064  -0.132   4.462
  684   1HB   ALA  87          1HB       ALA  87  -2.662   1.549   3.384
  685   2HB   ALA  87          2HB       ALA  87  -1.222   0.892   4.235
  686   3HB   ALA  87          3HB       ALA  87  -2.074  -0.107   3.008
  687    H    HIS  88           H        HIS  88  -3.002  -0.549   7.354
  688    HA   HIS  88           HA       HIS  88  -1.533  -3.046   6.845
  689   1HB   HIS  88          1HB       HIS  88  -0.667  -2.911   8.983
  690   2HB   HIS  88          2HB       HIS  88  -0.646  -1.260   8.398
  691    HD1  HIS  88           1HD      HIS  88  -1.083  -2.772  11.445
  692    HD2  HIS  88           2HD      HIS  88  -3.530  -0.200   9.194
  693    HE1  HIS  88           1HE      HIS  88  -2.684  -1.663  13.113
  694    HE2  HIS  88           2HE      HIS  88  -4.172  -0.103  11.718
  695    H    ASN  89           H        ASN  89  -4.509  -1.713   7.991
  696    HA   ASN  89           HA       ASN  89  -5.436  -4.407   8.798
  697   1HB   ASN  89          1HB       ASN  89  -6.211  -1.632   9.535
  698   2HB   ASN  89          2HB       ASN  89  -7.462  -2.858   9.532
  699   1HD2  ASN  89          2HD2      ASN  89  -4.024  -3.114  10.283
  700   2HD2  ASN  89          1HD2      ASN  89  -4.209  -3.637  11.942
  701    H    LEU  90           H        LEU  90  -5.634  -1.968   6.403
  702    HA   LEU  90           HA       LEU  90  -8.220  -2.548   5.396
  703   1HB   LEU  90          1HB       LEU  90  -5.839  -1.091   4.454
  704   2HB   LEU  90          2HB       LEU  90  -7.001  -1.591   3.241
  705    HG   LEU  90           HG       LEU  90  -7.761  -0.007   5.660
  706   1HD1  LEU  90          1HD1      LEU  90  -6.094   1.286   4.437
  707   2HD1  LEU  90          2HD1      LEU  90  -7.014   1.035   2.914
  708   3HD1  LEU  90          3HD1      LEU  90  -7.726   2.014   4.243
  709   1HD2  LEU  90          1HD2      LEU  90  -9.151  -0.469   3.009
  710   2HD2  LEU  90          2HD2      LEU  90  -9.603  -1.195   4.590
  711   3HD2  LEU  90          3HD2      LEU  90  -9.757   0.578   4.339
  712    HA   PRO  91           HA       PRO  91  -5.987  -5.554   2.527
  713   1HB   PRO  91          1HB       PRO  91  -3.386  -6.229   3.079
  714   2HB   PRO  91          2HB       PRO  91  -3.887  -5.017   1.916
  715   1HG   PRO  91          1HG       PRO  91  -2.711  -4.655   4.578
  716   2HG   PRO  91          2HG       PRO  91  -2.807  -3.517   3.249
  717   1HD   PRO  91          1HD       PRO  91  -4.413  -3.572   5.582
  718   2HD   PRO  91          2HD       PRO  91  -4.580  -2.505   4.202
  719    H    ILE  92           H        ILE  92  -5.460  -5.562   5.913
  720    HA   ILE  92           HA       ILE  92  -5.350  -8.453   6.099
  721    HB   ILE  92           HB       ILE  92  -5.158  -6.184   7.961
  722   1HG1  ILE  92          1HG1      ILE  92  -3.521  -8.433   7.061
  723   2HG1  ILE  92          2HG1      ILE  92  -3.052  -6.811   7.528
  724   1HG2  ILE  92          1HG2      ILE  92  -6.906  -7.497   9.029
  725   2HG2  ILE  92          2HG2      ILE  92  -5.894  -8.976   8.873
  726   3HG2  ILE  92          3HG2      ILE  92  -5.364  -7.633   9.944
  727   1HD1  ILE  92          1HD1      ILE  92  -3.306  -7.399   9.913
  728   2HD1  ILE  92          2HD1      ILE  92  -3.787  -9.063   9.434
  729   3HD1  ILE  92          3HD1      ILE  92  -2.123  -8.476   9.091
  730    H    GLU  93           H        GLU  93  -7.636  -5.882   6.934
  731    HA   GLU  93           HA       GLU  93  -9.699  -7.570   7.836
  732   1HB   GLU  93          1HB       GLU  93  -9.633  -4.778   6.794
  733   2HB   GLU  93          2HB       GLU  93 -11.168  -5.563   7.105
  734   1HG   GLU  93          1HG       GLU  93  -9.516  -6.058   9.347
  735   2HG   GLU  93          2HG       GLU  93  -9.376  -4.352   8.974
  736    H    CYS  94           H        CYS  94  -8.436  -7.041   4.721
  737    HA   CYS  94           HA       CYS  94 -10.877  -7.990   3.413
  738   1HB   CYS  94          1HB       CYS  94  -8.381  -6.700   2.516
  739   2HB   CYS  94          2HB       CYS  94  -9.187  -7.777   1.393
  740    H    ASN  95           H        ASN  95  -8.091  -9.170   4.861
  741    HA   ASN  95           HA       ASN  95  -7.492 -11.374   5.170
  742   1HB   ASN  95          1HB       ASN  95  -9.904 -11.849   4.194
  743   2HB   ASN  95          2HB       ASN  95  -8.988 -12.318   2.776
  744   1HD2  ASN  95          2HD2      ASN  95  -6.863 -13.590   3.548
  745   2HD2  ASN  95          1HD2      ASN  95  -7.229 -14.966   4.564
  746    H    LEU  96           H        LEU  96  -6.444  -9.282   3.311
  747    HA   LEU  96           HA       LEU  96  -5.264 -10.787   1.141
  748   1HB   LEU  96          1HB       LEU  96  -4.496  -8.015   1.904
  749   2HB   LEU  96          2HB       LEU  96  -4.449  -8.778   0.327
  750    HG   LEU  96           HG       LEU  96  -6.953  -8.047   1.794
  751   1HD1  LEU  96          1HD1      LEU  96  -5.733  -6.027   1.240
  752   2HD1  LEU  96          2HD1      LEU  96  -5.564  -6.588  -0.459
  753   3HD1  LEU  96          3HD1      LEU  96  -7.189  -6.189   0.198
  754   1HD2  LEU  96          1HD2      LEU  96  -6.525  -8.967  -1.052
  755   2HD2  LEU  96          2HD2      LEU  96  -7.289  -9.908   0.276
  756   3HD2  LEU  96          3HD2      LEU  96  -8.089  -8.426  -0.350
  757    H    MET  97           H        MET  97  -3.990  -8.927   3.899
  758    HA   MET  97           HA       MET  97  -1.717 -10.824   3.969
  759   1HB   MET  97          1HB       MET  97  -0.278  -9.050   4.604
  760   2HB   MET  97          2HB       MET  97  -1.172  -8.503   3.199
  761   1HG   MET  97          1HG       MET  97  -2.715  -7.277   4.651
  762   2HG   MET  97          2HG       MET  97  -1.840  -7.836   6.062
  763   1HE   MET  97          1HE       MET  97  -0.406  -6.267   7.249
  764   2HE   MET  97          2HE       MET  97   0.779  -7.348   6.436
  765   3HE   MET  97          3HE       MET  97   1.053  -5.571   6.462
  766    H    SER  98           H        SER  98  -4.378 -10.799   5.360
  767    HA   SER  98           HA       SER  98  -4.488  -9.998   7.908
  768   1HB   SER  98          1HB       SER  98  -6.082 -11.570   6.821
  769   2HB   SER  98          2HB       SER  98  -4.961 -12.871   7.172
  770    HG   SER  98           HG       SER  98  -6.591 -12.661   8.783
  771    H    GLN  99           H        GLN  99  -3.118 -13.215   7.334
  772    HA   GLN  99           HA       GLN  99  -0.715 -12.580   8.802
  773   1HB   GLN  99          1HB       GLN  99  -2.900 -13.384  10.295
  774   2HB   GLN  99          2HB       GLN  99  -1.942 -14.840  10.115
  775   1HG   GLN  99          1HG       GLN  99  -0.074 -12.860  10.667
  776   2HG   GLN  99          2HG       GLN  99  -1.422 -12.484  11.721
  777   1HE2  GLN  99          2HE2      GLN  99   1.360 -14.266  11.346
  778   2HE2  GLN  99          1HE2      GLN  99   1.111 -15.469  12.592
  779    HA   PRO 100           HA       PRO 100  -0.675 -16.085   5.792
  780   1HB   PRO 100          1HB       PRO 100   0.528 -14.839   3.658
  781   2HB   PRO 100          2HB       PRO 100  -1.195 -15.102   3.831
  782   1HG   PRO 100          1HG       PRO 100   0.331 -12.611   4.128
  783   2HG   PRO 100          2HG       PRO 100  -1.389 -12.824   3.874
  784   1HD   PRO 100          1HD       PRO 100  -0.072 -12.199   6.312
  785   2HD   PRO 100          2HD       PRO 100  -1.781 -12.507   6.077
  786    H    CYS 101           H        CYS 101   1.838 -13.611   5.424
  787    HA   CYS 101           HA       CYS 101   3.929 -15.568   5.633
  788   1HB   CYS 101          1HB       CYS 101   4.482 -12.687   6.003
  789   2HB   CYS 101          2HB       CYS 101   5.384 -13.895   5.112
  790    H    GLN 102           H        GLN 102   4.840 -16.373   7.372
  791    HA   GLN 102           HA       GLN 102   4.511 -14.885   9.906
  792   1HB   GLN 102          1HB       GLN 102   4.255 -17.857   9.539
  793   2HB   GLN 102          2HB       GLN 102   4.239 -17.021  11.078
  794   1HG   GLN 102          1HG       GLN 102   2.170 -16.033  10.665
  795   2HG   GLN 102          2HG       GLN 102   2.302 -16.258   8.933
  796   1HE2  GLN 102          2HE2      GLN 102   1.160 -17.484  11.882
  797   2HE2  GLN 102          1HE2      GLN 102   0.559 -19.027  11.318
  798    H    MET 103           H        MET 103   5.974 -16.140  11.636
  799    HA   MET 103           HA       MET 103   8.653 -15.629  10.782
  800   1HB   MET 103          1HB       MET 103   9.263 -16.144  13.010
  801   2HB   MET 103          2HB       MET 103   7.701 -15.355  13.102
  802   1HG   MET 103          1HG       MET 103   6.596 -17.525  13.296
  803   2HG   MET 103          2HG       MET 103   8.139 -18.341  13.145
  804   1HE   MET 103          1HE       MET 103   8.766 -19.539  15.181
  805   2HE   MET 103          2HE       MET 103  10.046 -18.311  14.891
  806   3HE   MET 103          3HE       MET 103   9.446 -18.607  16.560
  Start of MODEL    6
    1    HA   PRO   1           HA       PRO   1   2.231  -8.769  14.574
    2   1HB   PRO   1          1HB       PRO   1   3.655  -7.138  16.239
    3   2HB   PRO   1          2HB       PRO   1   3.642  -8.886  16.343
    4   1HG   PRO   1          1HG       PRO   1   5.768  -7.109  15.388
    5   2HG   PRO   1          2HG       PRO   1   5.875  -8.778  15.908
    6   1HD   PRO   1          1HD       PRO   1   5.796  -7.786  13.227
    7   2HD   PRO   1          2HD       PRO   1   5.878  -9.458  13.747
    8    H    TYR   2           H        TYR   2   4.124  -6.439  12.796
    9    HA   TYR   2           HA       TYR   2   1.833  -4.702  12.485
   10   1HB   TYR   2          1HB       TYR   2   4.259  -3.690  13.949
   11   2HB   TYR   2          2HB       TYR   2   2.836  -2.760  13.524
   12    HD1  TYR   2           1HD      TYR   2   0.645  -3.230  14.681
   13    HD2  TYR   2           2HD      TYR   2   4.385  -4.974  15.945
   14    HE1  TYR   2           1HE      TYR   2  -0.375  -3.851  16.848
   15    HE2  TYR   2           2HE      TYR   2   3.341  -5.658  18.085
   16    HH   TYR   2           HH       TYR   2   1.527  -5.572  19.353
   17    H    GLY   3           H        GLY   3   3.101  -6.085  10.521
   18   1HA   GLY   3          1HA       GLY   3   3.650  -4.925   8.365
   19   2HA   GLY   3          2HA       GLY   3   4.878  -4.046   9.254
   20    H    ARG   4           H        ARG   4   4.144  -6.825   7.447
   21    HA   ARG   4           HA       ARG   4   6.895  -7.831   7.886
   22   1HB   ARG   4          1HB       ARG   4   4.872  -9.105   9.080
   23   2HB   ARG   4          2HB       ARG   4   4.774  -9.859   7.501
   24   1HG   ARG   4          1HG       ARG   4   6.453 -11.215   8.125
   25   2HG   ARG   4          2HG       ARG   4   7.506  -9.815   8.128
   26   1HD   ARG   4          1HD       ARG   4   7.000  -9.392  10.467
   27   2HD   ARG   4          2HD       ARG   4   5.843 -10.708  10.482
   28    HE   ARG   4           HE       ARG   4   8.139 -11.943   9.694
   29   1HH1  ARG   4          1HH2      ARG   4   7.388  -9.871  12.426
   30   2HH1  ARG   4          2HH2      ARG   4   8.598 -10.611  13.450
   31   1HH2  ARG   4          1HH1      ARG   4   9.683 -12.862  11.041
   32   2HH2  ARG   4          2HH1      ARG   4   9.871 -12.273  12.677
   33    H    GLY   5           H        GLY   5   7.951  -8.268   6.044
   34   1HA   GLY   5          1HA       GLY   5   7.137  -9.465   3.760
   35   2HA   GLY   5          2HA       GLY   5   6.558  -7.828   3.528
   36    H    ARG   6           H        ARG   6   8.776  -9.589   2.339
   37    HA   ARG   6           HA       ARG   6  10.597  -7.488   1.752
   38   1HB   ARG   6          1HB       ARG   6  11.265  -8.069   4.161
   39   2HB   ARG   6          2HB       ARG   6  11.836  -9.591   3.505
   40   1HG   ARG   6          1HG       ARG   6  13.218  -8.251   1.875
   41   2HG   ARG   6          2HG       ARG   6  12.783  -6.822   2.792
   42   1HD   ARG   6          1HD       ARG   6  13.717  -7.958   4.833
   43   2HD   ARG   6          2HD       ARG   6  14.318  -9.222   3.780
   44    HE   ARG   6           HE       ARG   6  15.242  -6.818   2.706
   45   1HH1  ARG   6          1HH2      ARG   6  15.660  -8.605   5.697
   46   2HH1  ARG   6          2HH2      ARG   6  17.260  -7.955   5.980
   47   1HH2  ARG   6          1HH1      ARG   6  17.293  -6.002   3.110
   48   2HH2  ARG   6          2HH1      ARG   6  18.167  -6.507   4.539
   49    H    THR   7           H        THR   7  11.087  -8.017  -0.266
   50    HA   THR   7           HA       THR   7  12.183 -10.590  -0.960
   51    HB   THR   7           HB       THR   7  10.261 -11.009  -2.670
   52    HG1  THR   7           1HG      THR   7   8.265 -10.200  -1.831
   53   1HG2  THR   7          1HG2      THR   7  10.667 -12.482  -0.666
   54   2HG2  THR   7          2HG2      THR   7   9.668 -11.348   0.308
   55   3HG2  THR   7          3HG2      THR   7   8.919 -12.282  -1.034
   56    H    GLU   8           H        GLU   8  12.311 -10.719  -3.485
   57    HA   GLU   8           HA       GLU   8  13.507  -8.209  -4.319
   58   1HB   GLU   8          1HB       GLU   8  14.418  -9.424  -6.131
   59   2HB   GLU   8          2HB       GLU   8  14.508 -10.465  -4.723
   60   1HG   GLU   8          1HG       GLU   8  12.016 -10.986  -5.937
   61   2HG   GLU   8          2HG       GLU   8  13.195 -10.939  -7.233
   62    H    SER   9           H        SER   9  13.017  -8.610  -7.142
   63    HA   SER   9           HA       SER   9  10.654  -7.102  -7.545
   64   1HB   SER   9          1HB       SER   9  11.334  -8.400  -9.947
   65   2HB   SER   9          2HB       SER   9  11.641  -6.740  -9.478
   66    HG   SER   9           HG       SER   9  13.555  -7.861 -10.033
   67    H    GLY  10           H        GLY  10   9.327  -8.136  -9.675
   68   1HA   GLY  10          1HA       GLY  10   8.070 -10.042 -10.415
   69   2HA   GLY  10          2HA       GLY  10   8.276 -10.784  -8.842
   70    H    CYS  11           H        CYS  11   6.991 -10.104  -7.076
   71    HA   CYS  11           HA       CYS  11   4.355  -9.403  -7.710
   72   1HB   CYS  11          1HB       CYS  11   5.748  -9.089  -5.101
   73   2HB   CYS  11          2HB       CYS  11   4.015  -9.082  -5.360
   74    H    TYR  12           H        TYR  12   6.586  -7.381  -5.754
   75    HA   TYR  12           HA       TYR  12   5.417  -4.957  -5.824
   76   1HB   TYR  12          1HB       TYR  12   7.474  -5.105  -4.803
   77   2HB   TYR  12          2HB       TYR  12   8.217  -5.868  -6.193
   78    HD1  TYR  12           1HD      TYR  12   9.802  -4.621  -7.338
   79    HD2  TYR  12           2HD      TYR  12   6.465  -2.621  -5.479
   80    HE1  TYR  12           1HE      TYR  12  10.704  -2.432  -8.060
   81    HE2  TYR  12           2HE      TYR  12   7.382  -0.434  -6.168
   82    HH   TYR  12           HH       TYR  12   9.026   0.627  -7.271
   83    H    GLN  13           H        GLN  13   7.540  -6.101  -8.481
   84    HA   GLN  13           HA       GLN  13   7.195  -3.873 -10.154
   85   1HB   GLN  13          1HB       GLN  13   8.858  -5.580 -10.579
   86   2HB   GLN  13          2HB       GLN  13   7.607  -6.783 -10.816
   87   1HG   GLN  13          1HG       GLN  13   7.570  -6.256 -12.986
   88   2HG   GLN  13          2HG       GLN  13   6.972  -4.668 -12.548
   89   1HE2  GLN  13          2HE2      GLN  13   8.739  -5.600 -14.753
   90   2HE2  GLN  13          1HE2      GLN  13  10.239  -4.718 -14.581
   91    H    GLN  14           H        GLN  14   5.262  -6.916 -10.018
   92    HA   GLN  14           HA       GLN  14   3.382  -6.063 -11.958
   93   1HB   GLN  14          1HB       GLN  14   2.552  -8.096 -11.648
   94   2HB   GLN  14          2HB       GLN  14   3.891  -8.343 -10.546
   95   1HG   GLN  14          1HG       GLN  14   2.365  -7.409  -8.736
   96   2HG   GLN  14          2HG       GLN  14   1.061  -7.605  -9.888
   97   1HE2  GLN  14          2HE2      GLN  14   2.484  -9.034  -7.301
   98   2HE2  GLN  14          1HE2      GLN  14   2.137 -10.711  -7.660
   99    H    MET  15           H        MET  15   3.735  -5.205  -8.637
  100    HA   MET  15           HA       MET  15   1.130  -4.478  -7.920
  101   1HB   MET  15          1HB       MET  15   3.454  -4.514  -6.621
  102   2HB   MET  15          2HB       MET  15   3.381  -2.808  -7.018
  103   1HG   MET  15          1HG       MET  15   0.961  -2.988  -6.125
  104   2HG   MET  15          2HG       MET  15   1.563  -4.426  -5.325
  105   1HE   MET  15          1HE       MET  15   2.855  -4.493  -3.286
  106   2HE   MET  15          2HE       MET  15   4.242  -4.185  -4.387
  107   3HE   MET  15          3HE       MET  15   4.102  -3.275  -2.842
  108    H    GLU  16           H        GLU  16   3.832  -2.295  -9.045
  109    HA   GLU  16           HA       GLU  16   2.261  -0.025  -9.343
  110   1HB   GLU  16          1HB       GLU  16   3.918   0.538 -11.189
  111   2HB   GLU  16          2HB       GLU  16   4.567   0.201  -9.596
  112   1HG   GLU  16          1HG       GLU  16   5.343  -1.913 -10.228
  113   2HG   GLU  16          2HG       GLU  16   4.324  -1.957 -11.653
  114    H    GLU  17           H        GLU  17   2.556  -2.759 -11.566
  115    HA   GLU  17           HA       GLU  17   1.081  -1.548 -13.710
  116   1HB   GLU  17          1HB       GLU  17   2.644  -3.620 -13.711
  117   2HB   GLU  17          2HB       GLU  17   1.199  -4.496 -13.246
  118   1HG   GLU  17          1HG       GLU  17   0.026  -3.661 -15.217
  119   2HG   GLU  17          2HG       GLU  17   1.422  -2.702 -15.666
  120    H    ALA  18           H        ALA  18   0.199  -3.283 -10.808
  121    HA   ALA  18           HA       ALA  18  -2.637  -2.784 -11.439
  122   1HB   ALA  18          1HB       ALA  18  -2.167  -5.145 -11.866
  123   2HB   ALA  18          2HB       ALA  18  -1.444  -5.296 -10.226
  124   3HB   ALA  18          3HB       ALA  18  -3.201  -4.961 -10.407
  125    H    GLU  19           H        GLU  19  -1.590  -0.838 -10.122
  126    HA   GLU  19           HA       GLU  19  -0.744  -0.926  -7.523
  127   1HB   GLU  19          1HB       GLU  19  -2.232   1.285  -7.421
  128   2HB   GLU  19          2HB       GLU  19  -0.719   1.189  -8.299
  129   1HG   GLU  19          1HG       GLU  19  -1.769   1.055 -10.358
  130   2HG   GLU  19          2HG       GLU  19  -3.268   0.467  -9.667
  131    H    MET  20           H        MET  20  -1.561  -2.442  -6.186
  132    HA   MET  20           HA       MET  20  -4.470  -2.842  -6.066
  133   1HB   MET  20          1HB       MET  20  -4.000  -4.852  -5.012
  134   2HB   MET  20          2HB       MET  20  -2.559  -4.644  -5.986
  135   1HG   MET  20          1HG       MET  20  -2.808  -3.818  -3.110
  136   2HG   MET  20          2HG       MET  20  -2.082  -5.317  -3.655
  137   1HE   MET  20          1HE       MET  20  -0.072  -4.347  -2.003
  138   2HE   MET  20          2HE       MET  20   0.338  -5.457  -3.357
  139   3HE   MET  20          3HE       MET  20   1.347  -4.001  -3.051
  140    H    LEU  21           H        LEU  21  -1.919  -1.138  -4.490
  141    HA   LEU  21           HA       LEU  21  -3.776  -0.280  -2.383
  142   1HB   LEU  21          1HB       LEU  21  -1.032  -1.364  -2.061
  143   2HB   LEU  21          2HB       LEU  21  -1.744  -0.283  -0.880
  144    HG   LEU  21           HG       LEU  21  -3.419  -2.545  -1.541
  145   1HD1  LEU  21          1HD1      LEU  21  -1.310  -3.692  -1.802
  146   2HD1  LEU  21          2HD1      LEU  21  -0.762  -3.059  -0.210
  147   3HD1  LEU  21          3HD1      LEU  21  -2.135  -4.218  -0.294
  148   1HD2  LEU  21          1HD2      LEU  21  -2.377  -1.457   1.079
  149   2HD2  LEU  21          2HD2      LEU  21  -3.947  -1.055   0.300
  150   3HD2  LEU  21          3HD2      LEU  21  -3.642  -2.722   0.898
  151    H    ASN  22           H        ASN  22  -3.977   1.289  -4.165
  152    HA   ASN  22           HA       ASN  22  -1.985   3.454  -3.709
  153   1HB   ASN  22          1HB       ASN  22  -1.569   2.472  -5.925
  154   2HB   ASN  22          2HB       ASN  22  -3.250   2.733  -6.347
  155   1HD2  ASN  22          2HD2      ASN  22  -0.775   4.721  -4.729
  156   2HD2  ASN  22          1HD2      ASN  22  -1.129   6.176  -5.636
  157    H    HIS  23           H        HIS  23  -5.207   2.489  -4.814
  158    HA   HIS  23           HA       HIS  23  -6.290   5.169  -4.726
  159   1HB   HIS  23          1HB       HIS  23  -7.690   2.511  -4.796
  160   2HB   HIS  23          2HB       HIS  23  -8.435   4.070  -5.087
  161    HD1  HIS  23           1HD      HIS  23  -8.680   4.647  -7.551
  162    HD2  HIS  23           2HD      HIS  23  -5.475   2.018  -6.695
  163    HE1  HIS  23           1HE      HIS  23  -7.617   4.013  -9.815
  164    HE2  HIS  23           2HE      HIS  23  -5.772   2.317  -9.270
  165    H    CYS  24           H        CYS  24  -6.747   2.207  -2.716
  166    HA   CYS  24           HA       CYS  24  -8.172   3.426  -0.637
  167   1HB   CYS  24          1HB       CYS  24  -6.440   1.058  -0.869
  168   2HB   CYS  24          2HB       CYS  24  -6.712   1.667   0.751
  169    H    GLY  25           H        GLY  25  -4.822   3.821  -1.512
  170   1HA   GLY  25          1HA       GLY  25  -3.860   4.853   0.932
  171   2HA   GLY  25          2HA       GLY  25  -3.198   5.139  -0.665
  172    H    MET  26           H        MET  26  -5.341   6.512  -1.919
  173    HA   MET  26           HA       MET  26  -4.997   9.133  -1.018
  174   1HB   MET  26          1HB       MET  26  -6.580   7.678  -2.907
  175   2HB   MET  26          2HB       MET  26  -7.516   8.968  -2.181
  176   1HG   MET  26          1HG       MET  26  -5.763  10.559  -2.797
  177   2HG   MET  26          2HG       MET  26  -4.878   9.260  -3.570
  178   1HE   MET  26          1HE       MET  26  -4.754   9.214  -5.976
  179   2HE   MET  26          2HE       MET  26  -5.822   7.819  -5.593
  180   3HE   MET  26          3HE       MET  26  -6.214   8.897  -6.976
  181    H    TYR  27           H        TYR  27  -7.599   6.812  -0.242
  182    HA   TYR  27           HA       TYR  27  -9.256   8.478   1.277
  183   1HB   TYR  27          1HB       TYR  27  -9.746   6.199   0.572
  184   2HB   TYR  27          2HB       TYR  27  -8.508   5.593   1.653
  185    HD1  TYR  27           1HD      TYR  27  -9.286   4.570   3.576
  186    HD2  TYR  27           2HD      TYR  27 -11.479   7.864   1.876
  187    HE1  TYR  27           1HE      TYR  27 -10.942   4.397   5.408
  188    HE2  TYR  27           2HE      TYR  27 -13.166   7.666   3.673
  189    HH   TYR  27           HH       TYR  27 -13.782   6.601   5.507
  190    H    LEU  28           H        LEU  28  -6.226   6.932   2.133
  191    HA   LEU  28           HA       LEU  28  -6.473   7.790   4.938
  192   1HB   LEU  28          1HB       LEU  28  -4.131   6.332   3.854
  193   2HB   LEU  28          2HB       LEU  28  -4.824   6.287   5.463
  194    HG   LEU  28           HG       LEU  28  -6.318   5.184   3.166
  195   1HD1  LEU  28          1HD1      LEU  28  -4.157   4.162   2.914
  196   2HD1  LEU  28          2HD1      LEU  28  -4.159   3.698   4.651
  197   3HD1  LEU  28          3HD1      LEU  28  -5.350   2.962   3.523
  198   1HD2  LEU  28          1HD2      LEU  28  -6.261   4.483   6.089
  199   2HD2  LEU  28          2HD2      LEU  28  -7.527   5.420   5.222
  200   3HD2  LEU  28          3HD2      LEU  28  -7.272   3.681   4.836
  201    H    MET  29           H        MET  29  -5.023   8.679   1.963
  202    HA   MET  29           HA       MET  29  -3.077  10.487   3.181
  203   1HB   MET  29          1HB       MET  29  -3.085   8.961   0.870
  204   2HB   MET  29          2HB       MET  29  -3.265  10.616   0.324
  205   1HG   MET  29          1HG       MET  29  -1.316  11.240   1.699
  206   2HG   MET  29          2HG       MET  29  -1.111   9.553   2.125
  207   1HE   MET  29          1HE       MET  29  -2.291  11.096  -1.275
  208   2HE   MET  29          2HE       MET  29  -1.040  12.243  -0.682
  209   3HE   MET  29          3HE       MET  29  -0.728  11.253  -2.149
  210    H    LYS  30           H        LYS  30  -6.224  10.644   2.899
  211    HA   LYS  30           HA       LYS  30  -6.458  13.210   1.534
  212   1HB   LYS  30          1HB       LYS  30  -8.165  11.064   1.994
  213   2HB   LYS  30          2HB       LYS  30  -8.801  12.363   2.984
  214   1HG   LYS  30          1HG       LYS  30  -7.971  13.055   0.219
  215   2HG   LYS  30          2HG       LYS  30  -9.434  12.109   0.396
  216   1HD   LYS  30          1HD       LYS  30 -10.507  14.046   0.783
  217   2HD   LYS  30          2HD       LYS  30  -9.679  14.097   2.326
  218   1HE   LYS  30          1HE       LYS  30  -8.819  16.051   1.605
  219   2HE   LYS  30          2HE       LYS  30  -7.775  15.069   0.598
  220   1HZ   LYS  30          1HZ       LYS  30  -9.403  15.217  -1.150
  221   2HZ   LYS  30          2HZ       LYS  30 -10.389  16.146  -0.198
  222   3HZ   LYS  30          3HZ       LYS  30  -8.919  16.731  -0.686
  223    H    ASN  31           H        ASN  31  -5.956  11.963   4.706
  224    HA   ASN  31           HA       ASN  31  -6.458  14.637   5.881
  225   1HB   ASN  31          1HB       ASN  31  -6.985  12.030   6.753
  226   2HB   ASN  31          2HB       ASN  31  -5.649  12.591   7.738
  227   1HD2  ASN  31          2HD2      ASN  31  -6.119  13.787   9.477
  228   2HD2  ASN  31          1HD2      ASN  31  -7.630  14.631   9.734
  229    H    LEU  32           H        LEU  32  -3.988  12.598   4.707
  230    HA   LEU  32           HA       LEU  32  -1.906  13.472   6.469
  231   1HB   LEU  32          1HB       LEU  32  -1.886  12.116   3.804
  232   2HB   LEU  32          2HB       LEU  32  -0.424  12.513   4.686
  233    HG   LEU  32           HG       LEU  32  -2.634  10.833   5.794
  234   1HD1  LEU  32          1HD1      LEU  32  -1.673   9.751   3.836
  235   2HD1  LEU  32          2HD1      LEU  32  -0.027  10.002   4.515
  236   3HD1  LEU  32          3HD1      LEU  32  -1.186   8.908   5.347
  237   1HD2  LEU  32          1HD2      LEU  32   0.228  11.258   6.666
  238   2HD2  LEU  32          2HD2      LEU  32  -1.234  11.918   7.478
  239   3HD2  LEU  32          3HD2      LEU  32  -0.954  10.142   7.434
  240    H    GLY  33           H        GLY  33  -3.479  14.829   3.701
  241   1HA   GLY  33          1HA       GLY  33  -3.270  16.870   2.701
  242   2HA   GLY  33          2HA       GLY  33  -2.178  17.345   3.986
  243    H    GLU  34           H        GLU  34   0.036  16.046   3.791
  244    HA   GLU  34           HA       GLU  34   1.509  16.930   1.663
  245   1HB   GLU  34          1HB       GLU  34   2.066  15.578   3.938
  246   2HB   GLU  34          2HB       GLU  34   2.413  14.358   2.731
  247   1HG   GLU  34          1HG       GLU  34   3.443  16.879   1.842
  248   2HG   GLU  34          2HG       GLU  34   4.020  16.565   3.467
  249    H    ARG  35           H        ARG  35   0.595  16.723  -0.311
  250    HA   ARG  35           HA       ARG  35   0.327  13.955  -1.347
  251   1HB   ARG  35          1HB       ARG  35  -1.369  14.817  -2.916
  252   2HB   ARG  35          2HB       ARG  35  -1.866  14.948  -1.242
  253   1HG   ARG  35          1HG       ARG  35  -1.898  17.214  -1.293
  254   2HG   ARG  35          2HG       ARG  35  -0.482  17.311  -2.320
  255   1HD   ARG  35          1HD       ARG  35  -1.721  17.517  -4.172
  256   2HD   ARG  35          2HD       ARG  35  -2.777  16.198  -3.706
  257    HE   ARG  35           HE       ARG  35  -3.411  18.396  -2.069
  258   1HH1  ARG  35          1HH2      ARG  35  -3.612  17.496  -5.452
  259   2HH1  ARG  35          2HH2      ARG  35  -5.003  18.516  -5.743
  260   1HH2  ARG  35          1HH1      ARG  35  -5.190  19.691  -2.475
  261   2HH2  ARG  35          2HH1      ARG  35  -5.886  19.742  -4.079
  262    H    SER  36           H        SER  36   1.237  13.506  -3.290
  263    HA   SER  36           HA       SER  36   2.962  15.676  -4.375
  264   1HB   SER  36          1HB       SER  36   3.582  12.937  -3.628
  265   2HB   SER  36          2HB       SER  36   4.085  13.334  -5.257
  266    HG   SER  36           HG       SER  36   5.679  13.863  -3.695
  267    H    GLN  37           H        GLN  37   1.234  16.349  -5.751
  268    HA   GLN  37           HA       GLN  37   1.334  15.207  -8.331
  269   1HB   GLN  37          1HB       GLN  37  -0.982  14.375  -8.524
  270   2HB   GLN  37          2HB       GLN  37   0.006  13.395  -7.459
  271   1HG   GLN  37          1HG       GLN  37  -1.344  13.781  -5.710
  272   2HG   GLN  37          2HG       GLN  37  -1.358  15.507  -6.014
  273   1HE2  GLN  37          2HE2      GLN  37  -2.708  12.431  -7.124
  274   2HE2  GLN  37          1HE2      GLN  37  -4.255  13.080  -7.624
  275    H    VAL  38           H        VAL  38   0.767  16.724  -9.747
  276    HA   VAL  38           HA       VAL  38  -1.125  18.829  -8.911
  277    HB   VAL  38           HB       VAL  38   1.162  19.583  -8.401
  278   1HG1  VAL  38          1HG1      VAL  38   2.389  18.449 -10.179
  279   2HG1  VAL  38          2HG1      VAL  38   1.550  19.461 -11.405
  280   3HG1  VAL  38          3HG1      VAL  38   2.683  20.222 -10.234
  281   1HG2  VAL  38          1HG2      VAL  38  -0.300  21.126 -10.561
  282   2HG2  VAL  38          2HG2      VAL  38  -0.622  21.193  -8.793
  283   3HG2  VAL  38          3HG2      VAL  38   0.936  21.807  -9.446
  284    H    SER  39           H        SER  39  -1.710  16.653 -10.483
  285    HA   SER  39           HA       SER  39  -2.549  18.003 -12.903
  286   1HB   SER  39          1HB       SER  39  -0.250  17.353 -13.496
  287   2HB   SER  39          2HB       SER  39  -0.682  15.680 -13.204
  288    HG   SER  39           HG       SER  39  -0.857  16.257 -15.413
  289    HA   PRO  40           HA       PRO  40  -5.356  14.768 -11.414
  290   1HB   PRO  40          1HB       PRO  40  -7.661  16.272 -11.721
  291   2HB   PRO  40          2HB       PRO  40  -6.734  16.171 -10.238
  292   1HG   PRO  40          1HG       PRO  40  -6.921  18.382 -12.151
  293   2HG   PRO  40          2HG       PRO  40  -6.361  18.403 -10.490
  294   1HD   PRO  40          1HD       PRO  40  -4.763  18.435 -12.848
  295   2HD   PRO  40          2HD       PRO  40  -4.204  18.357 -11.189
  296    H    ARG  41           H        ARG  41  -7.767  14.392 -12.564
  297    HA   ARG  41           HA       ARG  41  -7.661  14.804 -15.438
  298   1HB   ARG  41          1HB       ARG  41  -6.222  12.739 -14.721
  299   2HB   ARG  41          2HB       ARG  41  -7.784  11.962 -14.550
  300   1HG   ARG  41          1HG       ARG  41  -7.668  11.553 -16.752
  301   2HG   ARG  41          2HG       ARG  41  -7.979  13.262 -16.977
  302   1HD   ARG  41          1HD       ARG  41  -5.940  13.546 -17.862
  303   2HD   ARG  41          2HD       ARG  41  -5.197  12.898 -16.414
  304    HE   ARG  41           HE       ARG  41  -4.884  10.867 -17.480
  305   1HH1  ARG  41          1HH2      ARG  41  -7.102  12.832 -19.364
  306   2HH1  ARG  41          2HH2      ARG  41  -7.116  11.708 -20.706
  307   1HH2  ARG  41          1HH1      ARG  41  -4.947   9.446 -19.214
  308   2HH2  ARG  41          2HH1      ARG  41  -5.917   9.823 -20.621
  309    H    MET  42           H        MET  42  -9.094  12.526 -13.121
  310    HA   MET  42           HA       MET  42 -11.751  13.664 -13.568
  311   1HB   MET  42          1HB       MET  42 -11.227  10.771 -14.195
  312   2HB   MET  42          2HB       MET  42 -12.750  11.626 -14.343
  313   1HG   MET  42          1HG       MET  42 -11.673  13.091 -16.057
  314   2HG   MET  42          2HG       MET  42 -10.268  12.047 -15.989
  315   1HE   MET  42          1HE       MET  42 -12.054  12.839 -18.569
  316   2HE   MET  42          2HE       MET  42 -10.541  11.870 -18.642
  317   3HE   MET  42          3HE       MET  42 -12.036  11.261 -19.434
  318    H    ARG  43           H        ARG  43 -13.369  12.749 -12.142
  319    HA   ARG  43           HA       ARG  43 -12.189  11.442  -9.747
  320   1HB   ARG  43          1HB       ARG  43 -13.481  13.967  -9.959
  321   2HB   ARG  43          2HB       ARG  43 -14.464  12.907  -8.969
  322   1HG   ARG  43          1HG       ARG  43 -12.930  12.833  -7.299
  323   2HG   ARG  43          2HG       ARG  43 -11.574  12.836  -8.408
  324   1HD   ARG  43          1HD       ARG  43 -11.338  14.936  -7.503
  325   2HD   ARG  43          2HD       ARG  43 -12.388  15.310  -8.856
  326    HE   ARG  43           HE       ARG  43 -14.062  14.684  -6.708
  327   1HH1  ARG  43          1HH2      ARG  43 -11.646  17.119  -7.432
  328   2HH1  ARG  43          2HH2      ARG  43 -12.400  18.320  -6.408
  329   1HH2  ARG  43          1HH1      ARG  43 -15.007  16.255  -5.408
  330   2HH2  ARG  43          2HH1      ARG  43 -14.273  17.837  -5.280
  331    H    GLU  44           H        GLU  44 -12.769   9.449 -10.868
  332    HA   GLU  44           HA       GLU  44 -15.564   8.886 -11.236
  333   1HB   GLU  44          1HB       GLU  44 -13.404   7.754 -12.224
  334   2HB   GLU  44          2HB       GLU  44 -13.619   6.692 -10.848
  335   1HG   GLU  44          1HG       GLU  44 -16.171   7.075 -12.027
  336   2HG   GLU  44          2HG       GLU  44 -15.051   6.707 -13.323
  337    H    GLU  45           H        GLU  45 -16.269   6.628 -10.117
  338    HA   GLU  45           HA       GLU  45 -17.228   6.927  -7.648
  339   1HB   GLU  45          1HB       GLU  45 -17.320   4.848  -9.137
  340   2HB   GLU  45          2HB       GLU  45 -15.903   4.324  -8.250
  341   1HG   GLU  45          1HG       GLU  45 -17.059   4.261  -6.204
  342   2HG   GLU  45          2HG       GLU  45 -18.352   5.281  -6.803
  343    H    ASP  46           H        ASP  46 -16.371   7.938  -6.027
  344    HA   ASP  46           HA       ASP  46 -13.777   8.219  -5.258
  345   1HB   ASP  46          1HB       ASP  46 -14.514   8.847  -3.147
  346   2HB   ASP  46          2HB       ASP  46 -15.924   9.117  -4.152
  347    H    HIS  47           H        HIS  47 -12.454   7.244  -3.578
  348    HA   HIS  47           HA       HIS  47 -11.950   4.550  -4.005
  349   1HB   HIS  47          1HB       HIS  47 -11.420   5.741  -1.332
  350   2HB   HIS  47          2HB       HIS  47 -10.433   4.638  -2.269
  351    HD1  HIS  47           1HD      HIS  47 -11.401   8.349  -2.168
  352    HD2  HIS  47           2HD      HIS  47  -8.645   5.696  -3.936
  353    HE1  HIS  47           1HE      HIS  47  -9.677   9.797  -3.426
  354    HE2  HIS  47           2HE      HIS  47  -8.122   8.143  -4.636
  355    H    LYS  48           H        LYS  48 -12.348   2.625  -2.822
  356    HA   LYS  48           HA       LYS  48 -14.174   2.521  -0.633
  357   1HB   LYS  48          1HB       LYS  48 -15.689   3.168  -2.587
  358   2HB   LYS  48          2HB       LYS  48 -15.409   1.546  -3.186
  359   1HG   LYS  48          1HG       LYS  48 -17.082   0.872  -1.849
  360   2HG   LYS  48          2HG       LYS  48 -16.018   1.191  -0.493
  361   1HD   LYS  48          1HD       LYS  48 -16.920   3.365  -0.170
  362   2HD   LYS  48          2HD       LYS  48 -17.722   3.346  -1.727
  363   1HE   LYS  48          1HE       LYS  48 -18.818   1.147  -0.549
  364   2HE   LYS  48          2HE       LYS  48 -18.581   2.189   0.840
  365   1HZ   LYS  48          1HZ       LYS  48 -19.774   3.917  -0.311
  366   2HZ   LYS  48          2HZ       LYS  48 -19.999   2.933  -1.624
  367   3HZ   LYS  48          3HZ       LYS  48 -20.715   2.561  -0.178
  368    H    GLN  49           H        GLN  49 -13.887   0.461  -3.510
  369    HA   GLN  49           HA       GLN  49 -12.332  -1.478  -1.914
  370   1HB   GLN  49          1HB       GLN  49 -14.980  -1.895  -3.144
  371   2HB   GLN  49          2HB       GLN  49 -13.810  -3.181  -3.360
  372   1HG   GLN  49          1HG       GLN  49 -13.418  -3.161  -0.904
  373   2HG   GLN  49          2HG       GLN  49 -14.707  -1.986  -0.746
  374   1HE2  GLN  49          2HE2      GLN  49 -14.365  -4.851   0.209
  375   2HE2  GLN  49          1HE2      GLN  49 -15.815  -5.658  -0.346
  376    H    LEU  50           H        LEU  50 -11.821   0.577  -4.088
  377    HA   LEU  50           HA       LEU  50 -11.183  -0.906  -6.450
  378   1HB   LEU  50          1HB       LEU  50 -10.649   1.801  -5.378
  379   2HB   LEU  50          2HB       LEU  50  -9.605   1.225  -6.662
  380    HG   LEU  50           HG       LEU  50 -12.602   1.253  -6.855
  381   1HD1  LEU  50          1HD1      LEU  50 -11.794   3.549  -6.536
  382   2HD1  LEU  50          2HD1      LEU  50 -10.597   3.308  -7.856
  383   3HD1  LEU  50          3HD1      LEU  50 -12.356   3.302  -8.226
  384   1HD2  LEU  50          1HD2      LEU  50 -10.435   0.982  -8.968
  385   2HD2  LEU  50          2HD2      LEU  50 -11.493  -0.340  -8.367
  386   3HD2  LEU  50          3HD2      LEU  50 -12.203   1.034  -9.283
  387    H    CYS  51           H        CYS  51  -9.618  -0.470  -3.366
  388    HA   CYS  51           HA       CYS  51  -7.048  -1.465  -4.312
  389   1HB   CYS  51          1HB       CYS  51  -6.333  -1.223  -2.110
  390   2HB   CYS  51          2HB       CYS  51  -7.304   0.178  -2.513
  391    H    CYS  52           H        CYS  52  -9.699  -2.637  -2.184
  392    HA   CYS  52           HA       CYS  52  -8.664  -5.235  -1.817
  393   1HB   CYS  52          1HB       CYS  52 -10.582  -4.070  -0.609
  394   2HB   CYS  52          2HB       CYS  52 -11.583  -4.618  -1.938
  395    H    MET  53           H        MET  53 -10.006  -3.726  -4.583
  396    HA   MET  53           HA       MET  53 -10.975  -6.010  -5.973
  397   1HB   MET  53          1HB       MET  53 -11.660  -3.816  -6.645
  398   2HB   MET  53          2HB       MET  53  -9.997  -3.313  -6.876
  399   1HG   MET  53          1HG       MET  53 -10.992  -3.808  -9.028
  400   2HG   MET  53          2HG       MET  53  -9.767  -5.006  -8.663
  401   1HE   MET  53          1HE       MET  53 -10.428  -6.923 -10.171
  402   2HE   MET  53          2HE       MET  53 -10.102  -7.480  -8.493
  403   3HE   MET  53          3HE       MET  53 -11.489  -8.160  -9.412
  404    H    GLN  54           H        GLN  54  -8.161  -4.046  -6.949
  405    HA   GLN  54           HA       GLN  54  -7.008  -6.099  -8.495
  406   1HB   GLN  54          1HB       GLN  54  -6.102  -3.517  -7.376
  407   2HB   GLN  54          2HB       GLN  54  -4.855  -4.639  -7.881
  408   1HG   GLN  54          1HG       GLN  54  -7.144  -3.725  -9.602
  409   2HG   GLN  54          2HG       GLN  54  -5.520  -3.068  -9.665
  410   1HE2  GLN  54          2HE2      GLN  54  -6.949  -4.307 -11.864
  411   2HE2  GLN  54          1HE2      GLN  54  -6.117  -5.790 -12.273
  412    H    LEU  55           H        LEU  55  -6.702  -5.302  -5.056
  413    HA   LEU  55           HA       LEU  55  -4.490  -6.850  -4.389
  414   1HB   LEU  55          1HB       LEU  55  -6.914  -5.889  -3.099
  415   2HB   LEU  55          2HB       LEU  55  -6.111  -7.231  -2.309
  416    HG   LEU  55           HG       LEU  55  -4.473  -4.937  -3.050
  417   1HD1  LEU  55          1HD1      LEU  55  -6.375  -3.739  -2.204
  418   2HD1  LEU  55          2HD1      LEU  55  -6.386  -4.771  -0.732
  419   3HD1  LEU  55          3HD1      LEU  55  -5.008  -3.658  -1.038
  420   1HD2  LEU  55          1HD2      LEU  55  -4.535  -6.698  -0.603
  421   2HD2  LEU  55          2HD2      LEU  55  -3.402  -6.814  -1.993
  422   3HD2  LEU  55          3HD2      LEU  55  -3.353  -5.378  -0.911
  423    H    LYS  56           H        LYS  56  -7.790  -7.919  -5.117
  424    HA   LYS  56           HA       LYS  56  -7.230 -10.684  -4.542
  425   1HB   LYS  56          1HB       LYS  56  -9.467  -9.871  -4.403
  426   2HB   LYS  56          2HB       LYS  56  -9.416  -9.299  -6.058
  427   1HG   LYS  56          1HG       LYS  56 -10.273 -11.261  -6.681
  428   2HG   LYS  56          2HG       LYS  56  -8.760 -12.005  -6.206
  429   1HD   LYS  56          1HD       LYS  56  -9.832 -11.961  -3.824
  430   2HD   LYS  56          2HD       LYS  56 -11.332 -11.850  -4.722
  431   1HE   LYS  56          1HE       LYS  56  -9.302 -13.953  -5.400
  432   2HE   LYS  56          2HE       LYS  56 -10.445 -14.205  -4.096
  433   1HZ   LYS  56          1HZ       LYS  56 -12.226 -13.820  -5.647
  434   2HZ   LYS  56          2HZ       LYS  56 -11.145 -13.582  -6.879
  435   3HZ   LYS  56          3HZ       LYS  56 -11.271 -15.071  -6.165
  436    H    ASN  57           H        ASN  57  -7.223  -8.706  -7.533
  437    HA   ASN  57           HA       ASN  57  -6.508 -10.765  -9.298
  438   1HB   ASN  57          1HB       ASN  57  -6.275  -7.859  -9.223
  439   2HB   ASN  57          2HB       ASN  57  -5.097  -8.656 -10.247
  440   1HD2  ASN  57          2HD2      ASN  57  -7.142  -6.883 -11.134
  441   2HD2  ASN  57          1HD2      ASN  57  -8.235  -7.806 -12.142
  442    H    LEU  58           H        LEU  58  -4.584  -9.320  -6.798
  443    HA   LEU  58           HA       LEU  58  -2.053 -10.150  -7.863
  444   1HB   LEU  58          1HB       LEU  58  -3.067  -8.915  -5.398
  445   2HB   LEU  58          2HB       LEU  58  -1.544  -9.772  -5.278
  446    HG   LEU  58           HG       LEU  58  -2.177  -7.462  -7.078
  447   1HD1  LEU  58          1HD1      LEU  58  -1.742  -6.849  -4.731
  448   2HD1  LEU  58          2HD1      LEU  58  -0.211  -7.791  -4.784
  449   3HD1  LEU  58          3HD1      LEU  58  -0.397  -6.320  -5.801
  450   1HD2  LEU  58          1HD2      LEU  58   0.374  -9.087  -6.844
  451   2HD2  LEU  58          2HD2      LEU  58  -0.743  -9.077  -8.253
  452   3HD2  LEU  58          3HD2      LEU  58   0.167  -7.589  -7.818
  453    H    ASP  59           H        ASP  59  -0.679 -11.449  -6.059
  454    HA   ASP  59           HA       ASP  59  -1.961 -14.101  -6.006
  455   1HB   ASP  59          1HB       ASP  59   0.723 -13.061  -6.246
  456   2HB   ASP  59          2HB       ASP  59   0.622 -14.281  -4.992
  457    H    GLU  60           H        GLU  60  -1.821 -15.447  -4.097
  458    HA   GLU  60           HA       GLU  60  -2.530 -14.015  -1.695
  459   1HB   GLU  60          1HB       GLU  60  -2.888 -16.601  -2.668
  460   2HB   GLU  60          2HB       GLU  60  -1.870 -16.786  -1.255
  461   1HG   GLU  60          1HG       GLU  60  -3.697 -16.571   0.022
  462   2HG   GLU  60          2HG       GLU  60  -3.839 -14.917  -0.536
  463    H    LYS  61           H        LYS  61   0.418 -15.067  -3.088
  464    HA   LYS  61           HA       LYS  61   1.861 -14.912  -0.538
  465   1HB   LYS  61          1HB       LYS  61   2.498 -16.711  -1.952
  466   2HB   LYS  61          2HB       LYS  61   2.650 -15.649  -3.337
  467   1HG   LYS  61          1HG       LYS  61   4.739 -15.048  -2.781
  468   2HG   LYS  61          2HG       LYS  61   4.315 -14.828  -1.095
  469   1HD   LYS  61          1HD       LYS  61   5.775 -16.576  -0.901
  470   2HD   LYS  61          2HD       LYS  61   4.283 -17.467  -1.124
  471   1HE   LYS  61          1HE       LYS  61   4.983 -18.310  -3.087
  472   2HE   LYS  61          2HE       LYS  61   5.474 -16.730  -3.663
  473   1HZ   LYS  61          1HZ       LYS  61   7.504 -16.959  -2.414
  474   2HZ   LYS  61          2HZ       LYS  61   7.040 -18.452  -1.869
  475   3HZ   LYS  61          3HZ       LYS  61   7.342 -18.215  -3.479
  476    H    CYS  62           H        CYS  62   1.193 -12.979  -3.421
  477    HA   CYS  62           HA       CYS  62   3.196 -10.997  -2.677
  478   1HB   CYS  62          1HB       CYS  62   0.953 -10.880  -4.646
  479   2HB   CYS  62          2HB       CYS  62   2.303  -9.767  -4.535
  480    H    MET  63           H        MET  63   0.103 -11.814  -1.556
  481    HA   MET  63           HA       MET  63  -0.713  -9.082  -0.919
  482   1HB   MET  63          1HB       MET  63  -1.858 -11.808  -0.568
  483   2HB   MET  63          2HB       MET  63  -2.562 -10.415   0.227
  484   1HG   MET  63          1HG       MET  63  -3.349  -9.530  -1.708
  485   2HG   MET  63          2HG       MET  63  -2.046 -10.200  -2.670
  486   1HE   MET  63          1HE       MET  63  -3.944 -12.406  -0.121
  487   2HE   MET  63          2HE       MET  63  -5.219 -11.209  -0.539
  488   3HE   MET  63          3HE       MET  63  -5.399 -12.926  -1.040
  489    H    CYS  64           H        CYS  64   1.477  -8.935   0.294
  490    HA   CYS  64           HA       CYS  64   1.135  -8.758   3.024
  491   1HB   CYS  64          1HB       CYS  64   1.053 -10.874   3.772
  492   2HB   CYS  64          2HB       CYS  64   1.716 -11.527   2.287
  493    HA   PRO  65           HA       PRO  65   5.730  -8.599   1.965
  494   1HB   PRO  65          1HB       PRO  65   6.630  -9.698  -0.415
  495   2HB   PRO  65          2HB       PRO  65   6.666 -10.521   1.130
  496   1HG   PRO  65          1HG       PRO  65   4.896 -10.964  -1.153
  497   2HG   PRO  65          2HG       PRO  65   5.227 -12.014   0.209
  498   1HD   PRO  65          1HD       PRO  65   2.933 -10.406  -0.197
  499   2HD   PRO  65          2HD       PRO  65   3.323 -11.358   1.221
  500    H    ALA  66           H        ALA  66   3.576  -8.401  -0.836
  501    HA   ALA  66           HA       ALA  66   5.004  -6.307  -2.141
  502   1HB   ALA  66          1HB       ALA  66   3.436  -7.785  -3.312
  503   2HB   ALA  66          2HB       ALA  66   2.099  -7.150  -2.291
  504   3HB   ALA  66          3HB       ALA  66   2.940  -6.063  -3.450
  505    H    ILE  67           H        ILE  67   2.161  -6.378   0.081
  506    HA   ILE  67           HA       ILE  67   1.419  -3.779   0.196
  507    HB   ILE  67           HB       ILE  67   1.902  -5.703   2.420
  508   1HG1  ILE  67          1HG1      ILE  67  -0.127  -5.372   0.457
  509   2HG1  ILE  67          2HG1      ILE  67   0.033  -6.620   1.676
  510   1HG2  ILE  67          1HG2      ILE  67   2.110  -3.477   3.381
  511   2HG2  ILE  67          2HG2      ILE  67   0.565  -2.987   2.602
  512   3HG2  ILE  67          3HG2      ILE  67   0.563  -4.236   3.896
  513   1HD1  ILE  67          1HD1      ILE  67  -1.118  -5.192   3.322
  514   2HD1  ILE  67          2HD1      ILE  67  -1.282  -3.911   2.071
  515   3HD1  ILE  67          3HD1      ILE  67  -2.136  -5.480   1.868
  516    H    MET  68           H        MET  68   4.367  -5.059   1.702
  517    HA   MET  68           HA       MET  68   5.378  -2.767   2.884
  518   1HB   MET  68          1HB       MET  68   6.271  -5.271   2.459
  519   2HB   MET  68          2HB       MET  68   7.323  -4.362   1.393
  520   1HG   MET  68          1HG       MET  68   6.930  -3.114   4.003
  521   2HG   MET  68          2HG       MET  68   7.708  -4.681   4.082
  522   1HE   MET  68          1HE       MET  68   8.384  -1.173   4.213
  523   2HE   MET  68          2HE       MET  68   9.290  -2.364   5.209
  524   3HE   MET  68          3HE       MET  68  10.172  -1.288   4.071
  525    H    MET  69           H        MET  69   6.361  -3.847  -0.376
  526    HA   MET  69           HA       MET  69   7.525  -1.458  -1.200
  527   1HB   MET  69          1HB       MET  69   6.277  -3.738  -2.649
  528   2HB   MET  69          2HB       MET  69   6.977  -2.381  -3.507
  529   1HG   MET  69          1HG       MET  69   8.412  -4.116  -1.522
  530   2HG   MET  69          2HG       MET  69   8.563  -4.224  -3.263
  531   1HE   MET  69          1HE       MET  69   9.462  -2.418  -0.009
  532   2HE   MET  69          2HE       MET  69  10.640  -3.626  -0.628
  533   3HE   MET  69          3HE       MET  69  11.110  -1.895  -0.502
  534    H    MET  70           H        MET  70   4.152  -2.322  -1.066
  535    HA   MET  70           HA       MET  70   3.164  -0.449  -2.921
  536   1HB   MET  70          1HB       MET  70   1.385  -1.629  -2.324
  537   2HB   MET  70          2HB       MET  70   2.159  -2.162  -0.846
  538   1HG   MET  70          1HG       MET  70   1.460   0.360  -0.212
  539   2HG   MET  70          2HG       MET  70   0.159  -0.108  -1.288
  540   1HE   MET  70          1HE       MET  70  -0.007   0.753   1.806
  541   2HE   MET  70          2HE       MET  70  -1.432   0.436   0.757
  542   3HE   MET  70          3HE       MET  70  -1.285  -0.388   2.349
  543    H    LEU  71           H        LEU  71   4.203  -0.160   0.437
  544    HA   LEU  71           HA       LEU  71   3.355   2.664   0.415
  545   1HB   LEU  71          1HB       LEU  71   4.236   0.937   2.702
  546   2HB   LEU  71          2HB       LEU  71   3.671   2.592   2.818
  547    HG   LEU  71           HG       LEU  71   2.017   0.345   1.765
  548   1HD1  LEU  71          1HD1      LEU  71   2.553  -0.149   4.081
  549   2HD1  LEU  71          2HD1      LEU  71   2.027   1.505   4.552
  550   3HD1  LEU  71          3HD1      LEU  71   0.829   0.330   3.905
  551   1HD2  LEU  71          1HD2      LEU  71   1.286   3.130   2.687
  552   2HD2  LEU  71          2HD2      LEU  71   1.311   2.538   0.989
  553   3HD2  LEU  71          3HD2      LEU  71   0.125   1.862   2.160
  554    H    ASN  72           H        ASN  72   5.755   1.262  -0.947
  555    HA   ASN  72           HA       ASN  72   7.834   3.049   0.190
  556   1HB   ASN  72          1HB       ASN  72   8.013   0.420  -1.241
  557   2HB   ASN  72          2HB       ASN  72   9.398   1.458  -0.968
  558   1HD2  ASN  72          2HD2      ASN  72   9.117   2.369   1.554
  559   2HD2  ASN  72          1HD2      ASN  72   9.129   1.022   2.670
  560    H    GLU  73           H        GLU  73   5.637   2.736  -2.269
  561    HA   GLU  73           HA       GLU  73   7.158   3.306  -4.558
  562   1HB   GLU  73          1HB       GLU  73   5.160   3.409  -5.618
  563   2HB   GLU  73          2HB       GLU  73   4.610   2.669  -4.129
  564   1HG   GLU  73          1HG       GLU  73   4.046   4.933  -3.270
  565   2HG   GLU  73          2HG       GLU  73   4.482   5.596  -4.832
  566    HA   PRO  74           HA       PRO  74   7.907   7.648  -4.374
  567   1HB   PRO  74          1HB       PRO  74   6.982   8.621  -6.776
  568   2HB   PRO  74          2HB       PRO  74   8.507   7.785  -6.563
  569   1HG   PRO  74          1HG       PRO  74   6.039   6.835  -7.824
  570   2HG   PRO  74          2HG       PRO  74   7.671   6.217  -7.983
  571   1HD   PRO  74          1HD       PRO  74   5.564   5.168  -6.383
  572   2HD   PRO  74          2HD       PRO  74   7.211   4.583  -6.499
  573    H    MET  75           H        MET  75   5.522   6.882  -3.046
  574    HA   MET  75           HA       MET  75   4.223   9.406  -2.798
  575   1HB   MET  75          1HB       MET  75   3.139   7.543  -4.694
  576   2HB   MET  75          2HB       MET  75   2.023   7.746  -3.359
  577   1HG   MET  75          1HG       MET  75   2.607  10.294  -3.709
  578   2HG   MET  75          2HG       MET  75   2.995   9.747  -5.327
  579   1HE   MET  75          1HE       MET  75   1.339  10.762  -6.833
  580   2HE   MET  75          2HE       MET  75   1.397   8.984  -7.095
  581   3HE   MET  75          3HE       MET  75  -0.182   9.845  -7.109
  582    H    TRP  76           H        TRP  76   5.619   7.172  -1.267
  583    HA   TRP  76           HA       TRP  76   3.713   7.187   0.935
  584   1HB   TRP  76          1HB       TRP  76   4.724   4.647  -0.278
  585   2HB   TRP  76          2HB       TRP  76   3.904   4.764   1.266
  586    HD1  TRP  76           HD       TRP  76   3.143   3.828  -2.108
  587    HE1  TRP  76           1HE      TRP  76   0.676   4.025  -2.663
  588    HE3  TRP  76           3HE      TRP  76   1.761   6.861   1.666
  589    HZ2  TRP  76           2HZ      TRP  76  -1.602   5.513  -1.762
  590    HZ3  TRP  76           3HZ      TRP  76  -0.567   7.648   1.819
  591    HH2  TRP  76           HH       TRP  76  -2.230   6.998   0.124
  592    H    ILE  77           H        ILE  77   5.524   8.756   1.415
  593    HA   ILE  77           HA       ILE  77   8.061   7.351   2.040
  594    HB   ILE  77           HB       ILE  77   7.659  10.302   1.913
  595   1HG1  ILE  77          1HG1      ILE  77   7.210   9.769  -0.275
  596   2HG1  ILE  77          2HG1      ILE  77   8.941  10.040  -0.301
  597   1HG2  ILE  77          1HG2      ILE  77   9.583   9.617   3.245
  598   2HG2  ILE  77          2HG2      ILE  77  10.165   8.587   1.891
  599   3HG2  ILE  77          3HG2      ILE  77  10.130  10.375   1.709
  600   1HD1  ILE  77          1HD1      ILE  77   9.348   7.605  -0.146
  601   2HD1  ILE  77          2HD1      ILE  77   7.572   7.326  -0.119
  602   3HD1  ILE  77          3HD1      ILE  77   8.352   8.014  -1.586
  603    H    ARG  78           H        ARG  78   8.001  10.216   3.743
  604    HA   ARG  78           HA       ARG  78   7.515   8.843   6.234
  605   1HB   ARG  78          1HB       ARG  78   8.252  10.827   7.251
  606   2HB   ARG  78          2HB       ARG  78   9.206  10.656   5.792
  607   1HG   ARG  78          1HG       ARG  78   6.949  12.106   5.001
  608   2HG   ARG  78          2HG       ARG  78   7.394  12.785   6.554
  609   1HD   ARG  78          1HD       ARG  78   9.680  12.336   4.803
  610   2HD   ARG  78          2HD       ARG  78   8.515  13.463   4.140
  611    HE   ARG  78           HE       ARG  78   8.767  14.375   6.671
  612   1HH1  ARG  78          1HH2      ARG  78  11.197  13.486   4.300
  613   2HH1  ARG  78          2HH2      ARG  78  12.361  14.638   4.914
  614   1HH2  ARG  78          1HH1      ARG  78  10.286  15.855   7.416
  615   2HH2  ARG  78          2HH1      ARG  78  11.854  15.954   6.645
  616    H    MET  79           H        MET  79   5.295   9.297   4.180
  617    HA   MET  79           HA       MET  79   3.376  10.801   5.870
  618   1HB   MET  79          1HB       MET  79   2.165  10.515   3.456
  619   2HB   MET  79          2HB       MET  79   3.072  11.930   3.947
  620   1HG   MET  79          1HG       MET  79   5.071  11.042   2.882
  621   2HG   MET  79          2HG       MET  79   4.200   9.591   2.429
  622   1HE   MET  79          1HE       MET  79   3.759   9.267   0.135
  623   2HE   MET  79          2HE       MET  79   2.140   9.569   0.855
  624   3HE   MET  79          3HE       MET  79   2.568  10.298  -0.731
  625    H    ARG  80           H        ARG  80   4.095   7.847   4.098
  626    HA   ARG  80           HA       ARG  80   1.592   6.610   4.418
  627   1HB   ARG  80          1HB       ARG  80   2.872   4.464   4.328
  628   2HB   ARG  80          2HB       ARG  80   3.108   5.535   2.962
  629   1HG   ARG  80          1HG       ARG  80   5.256   5.832   3.420
  630   2HG   ARG  80          2HG       ARG  80   4.940   6.067   5.128
  631   1HD   ARG  80          1HD       ARG  80   4.779   3.590   5.315
  632   2HD   ARG  80          2HD       ARG  80   5.400   3.513   3.679
  633    HE   ARG  80           HE       ARG  80   6.874   4.239   6.102
  634   1HH1  ARG  80          1HH2      ARG  80   6.917   4.034   2.606
  635   2HH1  ARG  80          2HH2      ARG  80   8.661   4.170   2.539
  636   1HH2  ARG  80          1HH1      ARG  80   9.133   4.438   5.902
  637   2HH2  ARG  80          2HH1      ARG  80   9.861   4.388   4.312
  638    H    ASP  81           H        ASP  81   4.104   7.248   6.774
  639    HA   ASP  81           HA       ASP  81   3.879   5.321   8.684
  640   1HB   ASP  81          1HB       ASP  81   4.591   8.009   8.575
  641   2HB   ASP  81          2HB       ASP  81   3.367   7.939   9.826
  642    H    GLN  82           H        GLN  82   1.408   7.792   7.937
  643    HA   GLN  82           HA       GLN  82  -0.469   6.678   9.864
  644   1HB   GLN  82          1HB       GLN  82  -0.398   8.863   7.916
  645   2HB   GLN  82          2HB       GLN  82  -1.973   8.233   8.354
  646   1HG   GLN  82          1HG       GLN  82  -1.901   9.274  10.318
  647   2HG   GLN  82          2HG       GLN  82  -0.370   8.512  10.704
  648   1HE2  GLN  82          2HE2      GLN  82   1.603   9.544   9.761
  649   2HE2  GLN  82          1HE2      GLN  82   1.620  11.290   9.643
  650    H    VAL  83           H        VAL  83  -0.335   6.716   6.302
  651    HA   VAL  83           HA       VAL  83  -2.609   5.080   5.901
  652    HB   VAL  83           HB       VAL  83  -2.043   4.994   3.696
  653   1HG1  VAL  83          1HG1      VAL  83  -2.272   7.306   4.396
  654   2HG1  VAL  83          2HG1      VAL  83  -0.511   7.370   4.758
  655   3HG1  VAL  83          3HG1      VAL  83  -1.074   7.157   3.064
  656   1HG2  VAL  83          1HG2      VAL  83   0.862   5.271   4.423
  657   2HG2  VAL  83          2HG2      VAL  83   0.035   3.769   3.882
  658   3HG2  VAL  83          3HG2      VAL  83   0.191   5.164   2.758
  659    H    MET  84           H        MET  84   0.321   4.256   7.330
  660    HA   MET  84           HA       MET  84   0.580   1.536   6.401
  661   1HB   MET  84          1HB       MET  84   1.881   3.322   8.392
  662   2HB   MET  84          2HB       MET  84   2.073   1.592   8.580
  663   1HG   MET  84          1HG       MET  84   2.497   2.553   5.851
  664   2HG   MET  84          2HG       MET  84   3.654   3.164   7.017
  665   1HE   MET  84          1HE       MET  84   4.347   1.266   4.496
  666   2HE   MET  84          2HE       MET  84   5.583   1.920   5.626
  667   3HE   MET  84          3HE       MET  84   5.549   0.162   5.250
  668    H    SER  85           H        SER  85  -0.179   3.095   9.545
  669    HA   SER  85           HA       SER  85  -1.208   0.699  10.711
  670   1HB   SER  85          1HB       SER  85  -0.659   3.277  11.596
  671   2HB   SER  85          2HB       SER  85  -2.393   3.113  11.783
  672    HG   SER  85           HG       SER  85  -1.237   2.331  13.611
  673    H    MET  86           H        MET  86  -2.480   2.625   8.246
  674    HA   MET  86           HA       MET  86  -5.286   1.985   8.900
  675   1HB   MET  86          1HB       MET  86  -3.956   3.731   6.873
  676   2HB   MET  86          2HB       MET  86  -5.685   3.456   6.935
  677   1HG   MET  86          1HG       MET  86  -4.037   4.639   9.147
  678   2HG   MET  86          2HG       MET  86  -5.039   5.547   8.032
  679   1HE   MET  86          1HE       MET  86  -4.766   4.041  11.391
  680   2HE   MET  86          2HE       MET  86  -5.244   5.764  11.193
  681   3HE   MET  86          3HE       MET  86  -6.361   4.607  12.000
  682    H    ALA  87           H        ALA  87  -2.743   1.422   6.520
  683    HA   ALA  87           HA       ALA  87  -4.467  -0.353   4.968
  684   1HB   ALA  87          1HB       ALA  87  -3.056   1.220   3.743
  685   2HB   ALA  87          2HB       ALA  87  -1.601   0.534   4.546
  686   3HB   ALA  87          3HB       ALA  87  -2.562  -0.476   3.410
  687    H    HIS  88           H        HIS  88  -3.587  -0.911   7.802
  688    HA   HIS  88           HA       HIS  88  -2.037  -3.377   7.310
  689   1HB   HIS  88          1HB       HIS  88  -1.209  -3.219   9.405
  690   2HB   HIS  88          2HB       HIS  88  -1.422  -1.522   9.017
  691    HD1  HIS  88           1HD      HIS  88  -1.661  -3.424  11.896
  692    HD2  HIS  88           2HD      HIS  88  -4.480  -1.096   9.809
  693    HE1  HIS  88           1HE      HIS  88  -3.423  -2.678  13.620
  694    HE2  HIS  88           2HE      HIS  88  -5.043  -1.113  12.364
  695    H    ASN  89           H        ASN  89  -5.084  -2.069   8.447
  696    HA   ASN  89           HA       ASN  89  -6.086  -4.788   8.991
  697   1HB   ASN  89          1HB       ASN  89  -6.840  -2.052   9.870
  698   2HB   ASN  89          2HB       ASN  89  -8.116  -3.242   9.711
  699   1HD2  ASN  89          2HD2      ASN  89  -4.785  -4.039  10.503
  700   2HD2  ASN  89          1HD2      ASN  89  -5.081  -4.514  12.160
  701    H    LEU  90           H        LEU  90  -6.302  -2.056   6.788
  702    HA   LEU  90           HA       LEU  90  -8.718  -2.723   5.516
  703   1HB   LEU  90          1HB       LEU  90  -6.237  -1.287   4.774
  704   2HB   LEU  90          2HB       LEU  90  -7.372  -1.692   3.502
  705    HG   LEU  90           HG       LEU  90  -8.177  -0.229   5.983
  706   1HD1  LEU  90          1HD1      LEU  90  -6.442   1.091   4.842
  707   2HD1  LEU  90          2HD1      LEU  90  -7.349   0.927   3.299
  708   3HD1  LEU  90          3HD1      LEU  90  -8.059   1.856   4.663
  709   1HD2  LEU  90          1HD2      LEU  90  -9.446  -0.513   3.238
  710   2HD2  LEU  90          2HD2      LEU  90  -9.986  -1.338   4.741
  711   3HD2  LEU  90          3HD2      LEU  90 -10.109   0.450   4.603
  712    HA   PRO  91           HA       PRO  91  -6.329  -5.649   2.699
  713   1HB   PRO  91          1HB       PRO  91  -3.793  -6.441   3.405
  714   2HB   PRO  91          2HB       PRO  91  -4.144  -5.166   2.256
  715   1HG   PRO  91          1HG       PRO  91  -3.149  -4.964   4.987
  716   2HG   PRO  91          2HG       PRO  91  -3.115  -3.771   3.703
  717   1HD   PRO  91          1HD       PRO  91  -4.895  -3.882   5.903
  718   2HD   PRO  91          2HD       PRO  91  -4.923  -2.749   4.565
  719    H    ILE  92           H        ILE  92  -5.638  -5.917   6.188
  720    HA   ILE  92           HA       ILE  92  -5.758  -8.779   6.195
  721    HB   ILE  92           HB       ILE  92  -5.831  -6.575   8.156
  722   1HG1  ILE  92          1HG1      ILE  92  -4.008  -8.684   7.306
  723   2HG1  ILE  92          2HG1      ILE  92  -3.681  -7.050   7.845
  724   1HG2  ILE  92          1HG2      ILE  92  -7.580  -8.038   9.002
  725   2HG2  ILE  92          2HG2      ILE  92  -6.472  -9.447   8.869
  726   3HG2  ILE  92          3HG2      ILE  92  -6.119  -8.134  10.044
  727   1HD1  ILE  92          1HD1      ILE  92  -3.991  -7.734  10.181
  728   2HD1  ILE  92          2HD1      ILE  92  -4.327  -9.411   9.629
  729   3HD1  ILE  92          3HD1      ILE  92  -2.701  -8.689   9.373
  730    H    GLU  93           H        GLU  93  -8.154  -6.223   6.846
  731    HA   GLU  93           HA       GLU  93 -10.289  -7.954   7.539
  732   1HB   GLU  93          1HB       GLU  93 -10.102  -5.138   6.572
  733   2HB   GLU  93          2HB       GLU  93 -11.670  -5.920   6.641
  734   1HG   GLU  93          1HG       GLU  93 -10.328  -6.472   9.083
  735   2HG   GLU  93          2HG       GLU  93 -10.183  -4.753   8.776
  736    H    CYS  94           H        CYS  94  -8.826  -7.208   4.492
  737    HA   CYS  94           HA       CYS  94 -11.064  -8.367   3.009
  738   1HB   CYS  94          1HB       CYS  94  -8.567  -6.944   2.362
  739   2HB   CYS  94          2HB       CYS  94  -9.235  -8.026   1.155
  740    H    ASN  95           H        ASN  95  -8.303  -9.469   4.640
  741    HA   ASN  95           HA       ASN  95  -7.575 -11.628   4.970
  742   1HB   ASN  95          1HB       ASN  95  -9.885 -12.237   3.891
  743   2HB   ASN  95          2HB       ASN  95  -8.903 -12.617   2.491
  744   1HD2  ASN  95          2HD2      ASN  95  -6.693 -13.784   3.404
  745   2HD2  ASN  95          1HD2      ASN  95  -7.064 -15.180   4.390
  746    H    LEU  96           H        LEU  96  -6.476  -9.441   3.233
  747    HA   LEU  96           HA       LEU  96  -5.099 -10.788   1.082
  748   1HB   LEU  96          1HB       LEU  96  -4.641  -8.018   2.068
  749   2HB   LEU  96          2HB       LEU  96  -4.232  -8.690   0.502
  750    HG   LEU  96           HG       LEU  96  -7.051  -8.482   1.450
  751   1HD1  LEU  96          1HD1      LEU  96  -6.127  -6.264   1.594
  752   2HD1  LEU  96          2HD1      LEU  96  -5.488  -6.417  -0.079
  753   3HD1  LEU  96          3HD1      LEU  96  -7.263  -6.392   0.206
  754   1HD2  LEU  96          1HD2      LEU  96  -5.843  -8.675  -1.313
  755   2HD2  LEU  96          2HD2      LEU  96  -6.685  -9.988  -0.419
  756   3HD2  LEU  96          3HD2      LEU  96  -7.596  -8.528  -0.941
  757    H    MET  97           H        MET  97  -4.185  -9.113   4.107
  758    HA   MET  97           HA       MET  97  -1.830 -10.898   4.201
  759   1HB   MET  97          1HB       MET  97  -0.477  -9.131   4.986
  760   2HB   MET  97          2HB       MET  97  -1.311  -8.549   3.559
  761   1HG   MET  97          1HG       MET  97  -2.852  -7.300   4.871
  762   2HG   MET  97          2HG       MET  97  -2.291  -8.052   6.352
  763   1HE   MET  97          1HE       MET  97  -1.040  -6.744   7.972
  764   2HE   MET  97          2HE       MET  97   0.247  -7.769   7.246
  765   3HE   MET  97          3HE       MET  97   0.554  -6.024   7.558
  766    H    SER  98           H        SER  98  -4.556 -11.057   5.431
  767    HA   SER  98           HA       SER  98  -4.913 -10.411   7.989
  768   1HB   SER  98          1HB       SER  98  -5.740 -12.792   8.416
  769   2HB   SER  98          2HB       SER  98  -6.511 -11.852   7.154
  770    HG   SER  98           HG       SER  98  -5.939 -13.967   6.446
  771    H    GLN  99           H        GLN  99  -3.423 -13.598   7.599
  772    HA   GLN  99           HA       GLN  99  -1.085 -12.696   9.121
  773   1HB   GLN  99          1HB       GLN  99  -1.450 -14.405  10.836
  774   2HB   GLN  99          2HB       GLN  99  -2.720 -13.199  10.799
  775   1HG   GLN  99          1HG       GLN  99  -4.293 -14.676  10.083
  776   2HG   GLN  99          2HG       GLN  99  -3.147 -15.598   9.132
  777   1HE2  GLN  99          2HE2      GLN  99  -4.565 -17.341  10.161
  778   2HE2  GLN  99          1HE2      GLN  99  -4.028 -17.962  11.705
  779    HA   PRO 100           HA       PRO 100  -0.565 -16.163   6.011
  780   1HB   PRO 100          1HB       PRO 100   0.731 -14.750   4.008
  781   2HB   PRO 100          2HB       PRO 100  -0.983 -15.112   4.014
  782   1HG   PRO 100          1HG       PRO 100   0.359 -12.566   4.482
  783   2HG   PRO 100          2HG       PRO 100  -1.326 -12.875   4.115
  784   1HD   PRO 100          1HD       PRO 100  -0.188 -12.262   6.642
  785   2HD   PRO 100          2HD       PRO 100  -1.862 -12.634   6.286
  786    H    CYS 101           H        CYS 101   1.905 -13.593   5.619
  787    HA   CYS 101           HA       CYS 101   4.026 -15.457   6.149
  788   1HB   CYS 101          1HB       CYS 101   4.410 -12.518   6.165
  789   2HB   CYS 101          2HB       CYS 101   5.448 -13.774   5.520
  790    H    GLN 102           H        GLN 102   4.498 -16.173   8.092
  791    HA   GLN 102           HA       GLN 102   4.293 -14.301  10.379
  792   1HB   GLN 102          1HB       GLN 102   3.634 -17.223  10.360
  793   2HB   GLN 102          2HB       GLN 102   3.673 -16.204  11.784
  794   1HG   GLN 102          1HG       GLN 102   2.071 -14.812  10.021
  795   2HG   GLN 102          2HG       GLN 102   1.612 -16.485   9.772
  796   1HE2  GLN 102          2HE2      GLN 102  -0.338 -16.464  10.741
  797   2HE2  GLN 102          1HE2      GLN 102  -0.584 -16.137  12.442
  798    H    MET 103           H        MET 103   5.537 -15.312  12.338
  799    HA   MET 103           HA       MET 103   8.248 -15.308  11.877
  800   1HB   MET 103          1HB       MET 103   6.622 -15.605  14.040
  801   2HB   MET 103          2HB       MET 103   7.442 -17.153  14.002
  802   1HG   MET 103          1HG       MET 103   8.887 -14.525  13.825
  803   2HG   MET 103          2HG       MET 103   8.578 -15.341  15.344
  804   1HE   MET 103          1HE       MET 103  11.238 -14.552  13.050
  805   2HE   MET 103          2HE       MET 103  11.485 -14.575  14.831
  806   3HE   MET 103          3HE       MET 103  12.462 -15.652  13.773
  Start of MODEL    7
    1    HA   PRO   1           HA       PRO   1   5.399  -5.542  10.244
    2   1HB   PRO   1          1HB       PRO   1   2.759  -4.890   9.946
    3   2HB   PRO   1          2HB       PRO   1   3.338  -6.443  10.514
    4   1HG   PRO   1          1HG       PRO   1   2.081  -4.271  12.043
    5   2HG   PRO   1          2HG       PRO   1   2.280  -5.955  12.485
    6   1HD   PRO   1          1HD       PRO   1   3.839  -3.725  13.354
    7   2HD   PRO   1          2HD       PRO   1   4.047  -5.411  13.783
    8    H    TYR   2           H        TYR   2   6.913  -3.618  10.232
    9    HA   TYR   2           HA       TYR   2   5.593  -1.197   9.153
   10   1HB   TYR   2          1HB       TYR   2   7.884  -0.239   9.484
   11   2HB   TYR   2          2HB       TYR   2   7.099  -0.781  10.953
   12    HD1  TYR   2           1HD      TYR   2   7.871  -2.800  12.150
   13    HD2  TYR   2           2HD      TYR   2   9.848  -1.392   8.578
   14    HE1  TYR   2           1HE      TYR   2   9.821  -4.272  12.653
   15    HE2  TYR   2           2HE      TYR   2  11.803  -2.837   9.107
   16    HH   TYR   2           HH       TYR   2  12.685  -4.296  10.491
   17    H    GLY   3           H        GLY   3   7.616  -3.905   8.305
   18   1HA   GLY   3          1HA       GLY   3   8.487  -4.612   6.322
   19   2HA   GLY   3          2HA       GLY   3   7.409  -3.491   5.515
   20    H    ARG   4           H        ARG   4  10.520  -4.329   5.782
   21    HA   ARG   4           HA       ARG   4  11.483  -1.550   5.390
   22   1HB   ARG   4          1HB       ARG   4  12.459  -3.055   7.221
   23   2HB   ARG   4          2HB       ARG   4  13.266  -3.889   5.909
   24   1HG   ARG   4          1HG       ARG   4  13.768  -1.240   5.340
   25   2HG   ARG   4          2HG       ARG   4  13.847  -1.279   7.090
   26   1HD   ARG   4          1HD       ARG   4  15.460  -3.130   6.973
   27   2HD   ARG   4          2HD       ARG   4  15.387  -3.077   5.222
   28    HE   ARG   4           HE       ARG   4  16.060  -0.504   5.976
   29   1HH1  ARG   4          1HH2      ARG   4  17.467  -3.667   6.479
   30   2HH1  ARG   4          2HH2      ARG   4  19.098  -3.041   6.566
   31   1HH2  ARG   4          1HH1      ARG   4  18.167   0.260   6.086
   32   2HH2  ARG   4          2HH1      ARG   4  19.486  -0.859   6.348
   33    H    GLY   5           H        GLY   5  10.358  -3.971   3.591
   34   1HA   GLY   5          1HA       GLY   5  10.624  -4.618   1.414
   35   2HA   GLY   5          2HA       GLY   5  11.517  -3.132   1.163
   36    H    ARG   6           H        ARG   6  12.371  -5.707   3.432
   37    HA   ARG   6           HA       ARG   6  15.035  -5.887   2.376
   38   1HB   ARG   6          1HB       ARG   6  15.230  -7.765   4.050
   39   2HB   ARG   6          2HB       ARG   6  14.840  -6.183   4.694
   40   1HG   ARG   6          1HG       ARG   6  12.763  -6.827   5.367
   41   2HG   ARG   6          2HG       ARG   6  12.517  -7.852   3.968
   42   1HD   ARG   6          1HD       ARG   6  14.593  -8.862   5.734
   43   2HD   ARG   6          2HD       ARG   6  13.044  -8.717   6.538
   44    HE   ARG   6           HE       ARG   6  12.799  -9.972   3.958
   45   1HH1  ARG   6          1HH2      ARG   6  13.623 -10.590   7.301
   46   2HH1  ARG   6          2HH2      ARG   6  13.231 -12.292   7.191
   47   1HH2  ARG   6          1HH1      ARG   6  12.316 -12.155   3.849
   48   2HH2  ARG   6          2HH1      ARG   6  12.502 -13.163   5.266
   49    H    THR   7           H        THR   7  13.680  -6.420   0.191
   50    HA   THR   7           HA       THR   7  14.161  -9.233  -0.358
   51    HB   THR   7           HB       THR   7  11.764  -9.405  -1.301
   52    HG1  THR   7           1HG      THR   7  10.276  -8.104  -0.121
   53   1HG2  THR   7          1HG2      THR   7  12.521 -10.685   0.698
   54   2HG2  THR   7          2HG2      THR   7  12.139  -9.258   1.721
   55   3HG2  THR   7          3HG2      THR   7  10.820 -10.130   0.866
   56    H    GLU   8           H        GLU   8  13.214  -9.581  -2.760
   57    HA   GLU   8           HA       GLU   8  14.390  -7.354  -4.311
   58   1HB   GLU   8          1HB       GLU   8  14.116 -10.287  -4.847
   59   2HB   GLU   8          2HB       GLU   8  14.505  -9.148  -6.120
   60   1HG   GLU   8          1HG       GLU   8  16.132  -8.785  -3.725
   61   2HG   GLU   8          2HG       GLU   8  16.331 -10.365  -4.456
   62    H    SER   9           H        SER   9  13.473  -7.534  -6.720
   63    HA   SER   9           HA       SER   9  10.820  -6.558  -6.639
   64   1HB   SER   9          1HB       SER   9  11.207  -7.300  -9.252
   65   2HB   SER   9          2HB       SER   9  11.602  -5.744  -8.551
   66    HG   SER   9           HG       SER   9  13.369  -6.677  -9.666
   67    H    GLY  10           H        GLY  10   9.030  -7.432  -8.085
   68   1HA   GLY  10          1HA       GLY  10   8.515  -9.832  -9.057
   69   2HA   GLY  10          2HA       GLY  10   8.601 -10.264  -7.361
   70    H    CYS  11           H        CYS  11   7.009  -9.563  -5.913
   71    HA   CYS  11           HA       CYS  11   4.442  -9.115  -7.021
   72   1HB   CYS  11          1HB       CYS  11   5.361  -8.592  -4.232
   73   2HB   CYS  11          2HB       CYS  11   3.708  -8.810  -4.770
   74    H    TYR  12           H        TYR  12   7.025  -7.004  -6.471
   75    HA   TYR  12           HA       TYR  12   5.525  -4.551  -6.214
   76   1HB   TYR  12          1HB       TYR  12   7.759  -4.966  -5.274
   77   2HB   TYR  12          2HB       TYR  12   8.387  -5.159  -6.898
   78    HD1  TYR  12           1HD      TYR  12   9.594  -3.368  -7.719
   79    HD2  TYR  12           2HD      TYR  12   6.272  -2.663  -5.068
   80    HE1  TYR  12           1HE      TYR  12  10.027  -0.916  -7.824
   81    HE2  TYR  12           2HE      TYR  12   6.706  -0.215  -5.158
   82    HH   TYR  12           HH       TYR  12   7.994   1.394  -5.997
   83    H    GLN  13           H        GLN  13   7.281  -6.280  -8.796
   84    HA   GLN  13           HA       GLN  13   7.053  -4.239 -10.746
   85   1HB   GLN  13          1HB       GLN  13   8.584  -6.033 -11.100
   86   2HB   GLN  13          2HB       GLN  13   7.309  -7.227 -10.954
   87   1HG   GLN  13          1HG       GLN  13   6.274  -6.423 -13.000
   88   2HG   GLN  13          2HG       GLN  13   7.461  -5.141 -13.125
   89   1HE2  GLN  13          2HE2      GLN  13   7.066  -6.831 -15.257
   90   2HE2  GLN  13          1HE2      GLN  13   8.443  -7.895 -15.430
   91    H    GLN  14           H        GLN  14   4.938  -7.010  -9.947
   92    HA   GLN  14           HA       GLN  14   3.030  -6.412 -11.982
   93   1HB   GLN  14          1HB       GLN  14   1.513  -7.812 -10.448
   94   2HB   GLN  14          2HB       GLN  14   2.902  -8.581 -11.187
   95   1HG   GLN  14          1HG       GLN  14   4.021  -8.773  -9.225
   96   2HG   GLN  14          2HG       GLN  14   3.306  -7.321  -8.552
   97   1HE2  GLN  14          2HE2      GLN  14   2.850  -8.258  -6.553
   98   2HE2  GLN  14          1HE2      GLN  14   1.582  -9.453  -6.386
   99    H    MET  15           H        MET  15   3.477  -5.241  -8.724
  100    HA   MET  15           HA       MET  15   1.009  -4.132  -8.143
  101   1HB   MET  15          1HB       MET  15   3.680  -3.880  -7.211
  102   2HB   MET  15          2HB       MET  15   2.992  -2.278  -7.381
  103   1HG   MET  15          1HG       MET  15   1.004  -3.128  -6.110
  104   2HG   MET  15          2HG       MET  15   1.948  -4.563  -5.761
  105   1HE   MET  15          1HE       MET  15   2.917  -4.779  -3.595
  106   2HE   MET  15          2HE       MET  15   4.337  -4.479  -4.657
  107   3HE   MET  15          3HE       MET  15   4.235  -3.685  -3.047
  108    H    GLU  16           H        GLU  16   3.749  -2.561  -9.881
  109    HA   GLU  16           HA       GLU  16   2.524  -0.120 -10.388
  110   1HB   GLU  16          1HB       GLU  16   4.208   0.244 -11.901
  111   2HB   GLU  16          2HB       GLU  16   4.888  -1.083 -10.978
  112   1HG   GLU  16          1HG       GLU  16   3.829  -2.614 -12.741
  113   2HG   GLU  16          2HG       GLU  16   3.629  -1.164 -13.703
  114    H    GLU  17           H        GLU  17   1.989  -3.215 -11.956
  115    HA   GLU  17           HA       GLU  17   0.422  -2.133 -14.119
  116   1HB   GLU  17          1HB       GLU  17   1.703  -4.512 -13.690
  117   2HB   GLU  17          2HB       GLU  17   0.027  -4.951 -13.427
  118   1HG   GLU  17          1HG       GLU  17  -0.132  -5.096 -15.671
  119   2HG   GLU  17          2HG       GLU  17  -0.098  -3.344 -15.667
  120    H    ALA  18           H        ALA  18  -0.174  -3.329 -10.878
  121    HA   ALA  18           HA       ALA  18  -3.035  -2.691 -11.228
  122   1HB   ALA  18          1HB       ALA  18  -2.666  -5.093 -10.969
  123   2HB   ALA  18          2HB       ALA  18  -1.708  -4.783  -9.478
  124   3HB   ALA  18          3HB       ALA  18  -3.468  -4.417  -9.509
  125    H    GLU  19           H        GLU  19  -1.981  -0.441 -10.746
  126    HA   GLU  19           HA       GLU  19  -0.973   0.050  -8.133
  127   1HB   GLU  19          1HB       GLU  19  -0.373   1.612  -9.752
  128   2HB   GLU  19          2HB       GLU  19  -2.019   1.784 -10.326
  129   1HG   GLU  19          1HG       GLU  19  -1.846   2.474  -7.538
  130   2HG   GLU  19          2HG       GLU  19  -0.707   3.415  -8.478
  131    H    MET  20           H        MET  20  -2.619  -1.298  -6.967
  132    HA   MET  20           HA       MET  20  -5.243   0.026  -6.693
  133   1HB   MET  20          1HB       MET  20  -6.049  -2.010  -6.002
  134   2HB   MET  20          2HB       MET  20  -4.832  -2.475  -7.173
  135   1HG   MET  20          1HG       MET  20  -3.338  -2.466  -5.000
  136   2HG   MET  20          2HG       MET  20  -4.890  -2.808  -4.265
  137   1HE   MET  20          1HE       MET  20  -3.207  -3.876  -7.644
  138   2HE   MET  20          2HE       MET  20  -1.959  -4.054  -6.361
  139   3HE   MET  20          3HE       MET  20  -2.638  -5.512  -7.163
  140    H    LEU  21           H        LEU  21  -2.174  -0.378  -5.256
  141    HA   LEU  21           HA       LEU  21  -3.123   0.118  -2.554
  142   1HB   LEU  21          1HB       LEU  21  -0.338  -0.075  -3.600
  143   2HB   LEU  21          2HB       LEU  21  -0.834  -0.107  -1.920
  144    HG   LEU  21           HG       LEU  21  -0.475  -2.295  -2.262
  145   1HD1  LEU  21          1HD1      LEU  21  -2.764  -2.173  -1.531
  146   2HD1  LEU  21          2HD1      LEU  21  -3.313  -2.087  -3.241
  147   3HD1  LEU  21          3HD1      LEU  21  -2.519  -3.578  -2.627
  148   1HD2  LEU  21          1HD2      LEU  21  -1.391  -1.988  -5.111
  149   2HD2  LEU  21          2HD2      LEU  21   0.302  -2.096  -4.515
  150   3HD2  LEU  21          3HD2      LEU  21  -0.794  -3.513  -4.368
  151    H    ASN  22           H        ASN  22  -3.257   1.981  -5.013
  152    HA   ASN  22           HA       ASN  22  -1.996   4.348  -3.775
  153   1HB   ASN  22          1HB       ASN  22  -1.464   4.149  -6.077
  154   2HB   ASN  22          2HB       ASN  22  -3.125   3.777  -6.491
  155   1HD2  ASN  22          2HD2      ASN  22  -1.012   6.275  -5.187
  156   2HD2  ASN  22          1HD2      ASN  22  -2.003   7.647  -5.627
  157    H    HIS  23           H        HIS  23  -5.093   2.965  -4.868
  158    HA   HIS  23           HA       HIS  23  -6.619   5.329  -4.322
  159   1HB   HIS  23          1HB       HIS  23  -7.354   2.450  -4.704
  160   2HB   HIS  23          2HB       HIS  23  -8.533   3.728  -4.491
  161    HD1  HIS  23           1HD      HIS  23  -9.302   4.913  -6.626
  162    HD2  HIS  23           2HD      HIS  23  -5.671   2.788  -7.008
  163    HE1  HIS  23           1HE      HIS  23  -8.654   5.013  -9.118
  164    HE2  HIS  23           2HE      HIS  23  -6.440   3.709  -9.339
  165    H    CYS  24           H        CYS  24  -6.556   2.132  -2.668
  166    HA   CYS  24           HA       CYS  24  -7.839   2.966  -0.321
  167   1HB   CYS  24          1HB       CYS  24  -6.231   0.716  -1.137
  168   2HB   CYS  24          2HB       CYS  24  -5.961   1.142   0.541
  169    H    GLY  25           H        GLY  25  -4.527   3.477  -1.380
  170   1HA   GLY  25          1HA       GLY  25  -3.515   4.376   1.136
  171   2HA   GLY  25          2HA       GLY  25  -2.798   4.624  -0.444
  172    H    MET  26           H        MET  26  -4.792   6.053  -1.742
  173    HA   MET  26           HA       MET  26  -4.302   8.687  -0.954
  174   1HB   MET  26          1HB       MET  26  -5.709   7.348  -3.015
  175   2HB   MET  26          2HB       MET  26  -6.808   8.511  -2.301
  176   1HG   MET  26          1HG       MET  26  -5.678  10.260  -3.143
  177   2HG   MET  26          2HG       MET  26  -4.122   9.561  -2.739
  178   1HE   MET  26          1HE       MET  26  -3.839  11.085  -5.198
  179   2HE   MET  26          2HE       MET  26  -2.630   9.851  -4.699
  180   3HE   MET  26          3HE       MET  26  -3.217   9.899  -6.398
  181    H    TYR  27           H        TYR  27  -7.243   6.680  -0.496
  182    HA   TYR  27           HA       TYR  27  -8.897   8.406   0.833
  183   1HB   TYR  27          1HB       TYR  27  -9.385   6.096   0.281
  184   2HB   TYR  27          2HB       TYR  27  -8.221   5.548   1.472
  185    HD1  TYR  27           1HD      TYR  27  -8.991   4.868   3.558
  186    HD2  TYR  27           2HD      TYR  27 -11.281   7.693   1.237
  187    HE1  TYR  27           1HE      TYR  27 -10.798   4.809   5.273
  188    HE2  TYR  27           2HE      TYR  27 -13.077   7.659   2.965
  189    HH   TYR  27           HH       TYR  27 -13.740   6.789   4.927
  190    H    LEU  28           H        LEU  28  -6.055   6.790   2.143
  191    HA   LEU  28           HA       LEU  28  -6.525   7.917   4.801
  192   1HB   LEU  28          1HB       LEU  28  -4.111   6.372   4.093
  193   2HB   LEU  28          2HB       LEU  28  -5.001   6.430   5.601
  194    HG   LEU  28           HG       LEU  28  -6.421   5.239   3.339
  195   1HD1  LEU  28          1HD1      LEU  28  -4.221   4.348   2.868
  196   2HD1  LEU  28          2HD1      LEU  28  -4.066   3.810   4.576
  197   3HD1  LEU  28          3HD1      LEU  28  -5.303   3.063   3.506
  198   1HD2  LEU  28          1HD2      LEU  28  -6.022   4.428   6.204
  199   2HD2  LEU  28          2HD2      LEU  28  -7.416   5.334   5.520
  200   3HD2  LEU  28          3HD2      LEU  28  -7.125   3.630   5.029
  201    H    MET  29           H        MET  29  -4.570   8.405   1.964
  202    HA   MET  29           HA       MET  29  -2.847  10.379   3.152
  203   1HB   MET  29          1HB       MET  29  -2.802   8.747   0.896
  204   2HB   MET  29          2HB       MET  29  -2.848  10.396   0.306
  205   1HG   MET  29          1HG       MET  29  -0.965   9.540   2.468
  206   2HG   MET  29          2HG       MET  29  -0.555   9.389   0.771
  207   1HE   MET  29          1HE       MET  29   0.070  11.213  -0.801
  208   2HE   MET  29          2HE       MET  29  -1.655  11.715  -0.726
  209   3HE   MET  29          3HE       MET  29  -0.353  12.944  -0.559
  210    H    LYS  30           H        LYS  30  -6.001  10.584   2.629
  211    HA   LYS  30           HA       LYS  30  -6.100  13.047   1.103
  212   1HB   LYS  30          1HB       LYS  30  -7.947  11.023   2.001
  213   2HB   LYS  30          2HB       LYS  30  -8.561  12.628   2.343
  214   1HG   LYS  30          1HG       LYS  30  -7.344  12.198  -0.332
  215   2HG   LYS  30          2HG       LYS  30  -8.902  11.449  -0.041
  216   1HD   LYS  30          1HD       LYS  30  -9.822  13.431  -0.532
  217   2HD   LYS  30          2HD       LYS  30  -9.186  14.002   0.998
  218   1HE   LYS  30          1HE       LYS  30  -8.459  15.568  -0.598
  219   2HE   LYS  30          2HE       LYS  30  -7.059  14.566  -0.273
  220   1HZ   LYS  30          1HZ       LYS  30  -7.563  13.309  -2.242
  221   2HZ   LYS  30          2HZ       LYS  30  -8.885  14.256  -2.548
  222   3HZ   LYS  30          3HZ       LYS  30  -7.366  14.910  -2.616
  223    H    ASN  31           H        ASN  31  -5.823  12.026   4.403
  224    HA   ASN  31           HA       ASN  31  -6.147  14.826   5.315
  225   1HB   ASN  31          1HB       ASN  31  -6.387  12.149   6.581
  226   2HB   ASN  31          2HB       ASN  31  -5.888  13.494   7.585
  227   1HD2  ASN  31          2HD2      ASN  31  -8.299  12.698   5.092
  228   2HD2  ASN  31          1HD2      ASN  31  -9.621  13.557   5.849
  229    H    LEU  32           H        LEU  32  -3.792  12.626   4.360
  230    HA   LEU  32           HA       LEU  32  -1.781  13.536   6.246
  231   1HB   LEU  32          1HB       LEU  32  -1.636  11.721   3.871
  232   2HB   LEU  32          2HB       LEU  32  -0.276  12.103   4.908
  233    HG   LEU  32           HG       LEU  32  -2.804  10.930   5.979
  234   1HD1  LEU  32          1HD1      LEU  32  -1.993   9.408   4.252
  235   2HD1  LEU  32          2HD1      LEU  32  -0.357   9.445   4.997
  236   3HD1  LEU  32          3HD1      LEU  32  -1.737   8.718   5.892
  237   1HD2  LEU  32          1HD2      LEU  32   0.046  10.995   6.992
  238   2HD2  LEU  32          2HD2      LEU  32  -1.320  11.996   7.594
  239   3HD2  LEU  32          3HD2      LEU  32  -1.344  10.214   7.822
  240    H    GLY  33           H        GLY  33  -3.024  14.472   3.145
  241   1HA   GLY  33          1HA       GLY  33  -2.243  15.905   1.522
  242   2HA   GLY  33          2HA       GLY  33  -1.995  16.938   2.915
  243    H    GLU  34           H        GLU  34  -0.501  14.754   0.618
  244    HA   GLU  34           HA       GLU  34   2.137  15.096   1.796
  245   1HB   GLU  34          1HB       GLU  34   1.582  12.989   0.729
  246   2HB   GLU  34          2HB       GLU  34   1.317  13.814  -0.794
  247   1HG   GLU  34          1HG       GLU  34   3.549  12.722  -0.626
  248   2HG   GLU  34          2HG       GLU  34   3.631  14.446  -0.928
  249    H    ARG  35           H        ARG  35   1.770  17.537   1.669
  250    HA   ARG  35           HA       ARG  35   3.522  18.594  -0.282
  251   1HB   ARG  35          1HB       ARG  35   1.322  18.154  -1.617
  252   2HB   ARG  35          2HB       ARG  35   0.733  19.570  -0.771
  253   1HG   ARG  35          1HG       ARG  35   1.736  20.822  -2.322
  254   2HG   ARG  35          2HG       ARG  35   3.273  20.270  -1.688
  255   1HD   ARG  35          1HD       ARG  35   2.621  18.161  -3.245
  256   2HD   ARG  35          2HD       ARG  35   1.842  19.451  -4.136
  257    HE   ARG  35           HE       ARG  35   4.544  20.132  -3.404
  258   1HH1  ARG  35          1HH2      ARG  35   2.629  18.414  -5.786
  259   2HH1  ARG  35          2HH2      ARG  35   3.875  18.529  -7.010
  260   1HH2  ARG  35          1HH1      ARG  35   6.112  20.238  -4.988
  261   2HH2  ARG  35          2HH1      ARG  35   5.811  19.544  -6.566
  262    H    SER  36           H        SER  36   0.479  19.836   1.072
  263    HA   SER  36           HA       SER  36   1.616  21.112   3.335
  264   1HB   SER  36          1HB       SER  36   2.740  22.551   1.745
  265   2HB   SER  36          2HB       SER  36   1.234  22.844   0.899
  266    HG   SER  36           HG       SER  36   1.778  24.540   2.336
  267    H    GLN  37           H        GLN  37  -0.744  21.982   0.776
  268    HA   GLN  37           HA       GLN  37  -2.992  21.249   2.415
  269   1HB   GLN  37          1HB       GLN  37  -2.155  23.475   3.379
  270   2HB   GLN  37          2HB       GLN  37  -2.779  24.190   1.906
  271   1HG   GLN  37          1HG       GLN  37  -4.986  23.508   2.378
  272   2HG   GLN  37          2HG       GLN  37  -4.459  22.368   3.599
  273   1HE2  GLN  37          2HE2      GLN  37  -6.456  23.999   4.327
  274   2HE2  GLN  37          1HE2      GLN  37  -5.887  25.258   5.400
  275    H    VAL  38           H        VAL  38  -2.852  20.084   0.277
  276    HA   VAL  38           HA       VAL  38  -3.652  21.552  -2.057
  277    HB   VAL  38           HB       VAL  38  -3.994  19.352  -3.057
  278   1HG1  VAL  38          1HG1      VAL  38  -1.764  20.374  -3.037
  279   2HG1  VAL  38          2HG1      VAL  38  -1.447  19.642  -1.425
  280   3HG1  VAL  38          3HG1      VAL  38  -1.646  18.587  -2.867
  281   1HG2  VAL  38          1HG2      VAL  38  -3.314  18.282  -0.296
  282   2HG2  VAL  38          2HG2      VAL  38  -4.907  18.142  -1.120
  283   3HG2  VAL  38          3HG2      VAL  38  -3.468  17.300  -1.794
  284    H    SER  39           H        SER  39  -5.690  20.799  -3.305
  285    HA   SER  39           HA       SER  39  -7.940  21.794  -2.056
  286   1HB   SER  39          1HB       SER  39  -9.011  21.336  -3.974
  287   2HB   SER  39          2HB       SER  39  -7.410  20.914  -4.545
  288    HG   SER  39           HG       SER  39  -8.961  19.286  -5.004
  289    HA   PRO  40           HA       PRO  40  -9.551  18.749   0.547
  290   1HB   PRO  40          1HB       PRO  40 -12.279  18.965   0.159
  291   2HB   PRO  40          2HB       PRO  40 -11.324  20.036   1.164
  292   1HG   PRO  40          1HG       PRO  40 -12.496  20.540  -1.479
  293   2HG   PRO  40          2HG       PRO  40 -11.922  21.692  -0.290
  294   1HD   PRO  40          1HD       PRO  40 -10.586  20.859  -2.659
  295   2HD   PRO  40          2HD       PRO  40  -9.966  21.923  -1.413
  296    H    ARG  41           H        ARG  41 -11.670  17.049   0.456
  297    HA   ARG  41           HA       ARG  41 -10.869  15.104  -1.506
  298   1HB   ARG  41          1HB       ARG  41 -11.654  14.665   0.890
  299   2HB   ARG  41          2HB       ARG  41 -13.273  14.896   0.263
  300   1HG   ARG  41          1HG       ARG  41 -11.708  13.130  -1.427
  301   2HG   ARG  41          2HG       ARG  41 -11.806  12.530   0.215
  302   1HD   ARG  41          1HD       ARG  41 -14.388  13.426  -0.614
  303   2HD   ARG  41          2HD       ARG  41 -13.743  12.325  -1.814
  304    HE   ARG  41           HE       ARG  41 -13.841  10.580  -0.289
  305   1HH1  ARG  41          1HH2      ARG  41 -14.401  13.626   1.367
  306   2HH1  ARG  41          2HH2      ARG  41 -14.913  12.840   2.843
  307   1HH2  ARG  41          1HH1      ARG  41 -14.506   9.624   1.600
  308   2HH2  ARG  41          2HH1      ARG  41 -14.970  10.605   2.972
  309    H    MET  42           H        MET  42 -11.645  17.288  -2.964
  310    HA   MET  42           HA       MET  42 -14.259  17.584  -3.746
  311   1HB   MET  42          1HB       MET  42 -13.293  17.996  -6.037
  312   2HB   MET  42          2HB       MET  42 -12.545  18.902  -4.737
  313   1HG   MET  42          1HG       MET  42 -10.583  17.728  -4.858
  314   2HG   MET  42          2HG       MET  42 -11.369  16.265  -5.417
  315   1HE   MET  42          1HE       MET  42 -11.225  20.011  -6.599
  316   2HE   MET  42          2HE       MET  42  -9.544  19.498  -6.224
  317   3HE   MET  42          3HE       MET  42 -10.012  19.872  -7.920
  318    H    ARG  43           H        ARG  43 -12.152  14.831  -4.413
  319    HA   ARG  43           HA       ARG  43 -13.532  13.515  -6.399
  320   1HB   ARG  43          1HB       ARG  43 -11.426  12.909  -4.780
  321   2HB   ARG  43          2HB       ARG  43 -12.635  11.764  -4.239
  322   1HG   ARG  43          1HG       ARG  43 -11.797  10.562  -6.010
  323   2HG   ARG  43          2HG       ARG  43 -12.996  11.502  -6.875
  324   1HD   ARG  43          1HD       ARG  43 -11.023  11.753  -8.149
  325   2HD   ARG  43          2HD       ARG  43 -11.134  13.234  -7.220
  326    HE   ARG  43           HE       ARG  43  -9.574  11.173  -5.896
  327   1HH1  ARG  43          1HH2      ARG  43  -9.416  13.813  -8.193
  328   2HH1  ARG  43          2HH2      ARG  43  -7.703  14.060  -7.938
  329   1HH2  ARG  43          1HH1      ARG  43  -7.385  11.524  -5.599
  330   2HH2  ARG  43          2HH1      ARG  43  -6.570  12.786  -6.494
  331    H    GLU  44           H        GLU  44 -15.273  12.250  -6.572
  332    HA   GLU  44           HA       GLU  44 -17.049  12.130  -4.192
  333   1HB   GLU  44          1HB       GLU  44 -18.895  11.907  -5.800
  334   2HB   GLU  44          2HB       GLU  44 -18.013  13.408  -5.998
  335   1HG   GLU  44          1HG       GLU  44 -17.583  12.905  -8.136
  336   2HG   GLU  44          2HG       GLU  44 -16.803  11.412  -7.650
  337    H    GLU  45           H        GLU  45 -15.210  10.297  -6.443
  338    HA   GLU  45           HA       GLU  45 -16.753   7.858  -6.162
  339   1HB   GLU  45          1HB       GLU  45 -14.492   8.781  -7.758
  340   2HB   GLU  45          2HB       GLU  45 -14.302   7.136  -7.184
  341   1HG   GLU  45          1HG       GLU  45 -16.026   6.351  -8.454
  342   2HG   GLU  45          2HG       GLU  45 -16.966   7.818  -8.266
  343    H    ASP  46           H        ASP  46 -16.731   6.678  -4.416
  344    HA   ASP  46           HA       ASP  46 -14.864   7.061  -2.291
  345   1HB   ASP  46          1HB       ASP  46 -17.289   6.075  -2.295
  346   2HB   ASP  46          2HB       ASP  46 -16.458   4.561  -2.594
  347    H    HIS  47           H        HIS  47 -13.025   5.933  -1.740
  348    HA   HIS  47           HA       HIS  47 -12.219   3.760  -3.596
  349   1HB   HIS  47          1HB       HIS  47 -10.570   5.961  -2.405
  350   2HB   HIS  47          2HB       HIS  47  -9.876   4.538  -3.158
  351    HD1  HIS  47           1HD      HIS  47 -12.556   4.854  -5.342
  352    HD2  HIS  47           2HD      HIS  47  -9.176   7.278  -4.555
  353    HE1  HIS  47           1HE      HIS  47 -12.269   6.383  -7.391
  354    HE2  HIS  47           2HE      HIS  47 -10.173   7.810  -6.925
  355    H    LYS  48           H        LYS  48 -11.872   1.887  -2.697
  356    HA   LYS  48           HA       LYS  48 -10.510   1.323  -0.362
  357   1HB   LYS  48          1HB       LYS  48 -13.017   2.435   0.272
  358   2HB   LYS  48          2HB       LYS  48 -13.117   0.722   0.628
  359   1HG   LYS  48          1HG       LYS  48 -10.994   0.921   1.922
  360   2HG   LYS  48          2HG       LYS  48 -11.036   2.652   1.653
  361   1HD   LYS  48          1HD       LYS  48 -11.975   2.316   3.806
  362   2HD   LYS  48          2HD       LYS  48 -13.333   2.629   2.744
  363   1HE   LYS  48          1HE       LYS  48 -12.453  -0.191   3.234
  364   2HE   LYS  48          2HE       LYS  48 -13.450   0.625   4.421
  365   1HZ   LYS  48          1HZ       LYS  48 -15.068   1.033   2.710
  366   2HZ   LYS  48          2HZ       LYS  48 -14.125   0.262   1.588
  367   3HZ   LYS  48          3HZ       LYS  48 -14.775  -0.590   2.850
  368    H    GLN  49           H        GLN  49 -13.193   0.516  -2.464
  369    HA   GLN  49           HA       GLN  49 -12.739  -2.352  -2.078
  370   1HB   GLN  49          1HB       GLN  49 -14.857  -0.692  -3.185
  371   2HB   GLN  49          2HB       GLN  49 -14.457  -2.057  -4.209
  372   1HG   GLN  49          1HG       GLN  49 -14.693  -3.561  -2.276
  373   2HG   GLN  49          2HG       GLN  49 -15.126  -2.190  -1.273
  374   1HE2  GLN  49          2HE2      GLN  49 -17.026  -3.689  -0.923
  375   2HE2  GLN  49          1HE2      GLN  49 -18.383  -3.492  -2.010
  376    H    LEU  50           H        LEU  50 -11.908   0.244  -4.350
  377    HA   LEU  50           HA       LEU  50 -11.175  -1.409  -6.529
  378   1HB   LEU  50          1HB       LEU  50 -10.648   1.356  -5.608
  379   2HB   LEU  50          2HB       LEU  50  -9.581   0.700  -6.833
  380    HG   LEU  50           HG       LEU  50 -12.525   0.487  -7.219
  381   1HD1  LEU  50          1HD1      LEU  50 -12.195   2.827  -6.556
  382   2HD1  LEU  50          2HD1      LEU  50 -10.881   2.982  -7.773
  383   3HD1  LEU  50          3HD1      LEU  50 -12.576   2.708  -8.308
  384   1HD2  LEU  50          1HD2      LEU  50 -10.195   0.899  -9.122
  385   2HD2  LEU  50          2HD2      LEU  50 -11.026  -0.660  -8.791
  386   3HD2  LEU  50          3HD2      LEU  50 -11.913   0.678  -9.602
  387    H    CYS  51           H        CYS  51  -9.651  -0.740  -3.456
  388    HA   CYS  51           HA       CYS  51  -7.118  -1.910  -4.295
  389   1HB   CYS  51          1HB       CYS  51  -6.270  -1.144  -2.385
  390   2HB   CYS  51          2HB       CYS  51  -7.610  -0.031  -2.573
  391    H    CYS  52           H        CYS  52  -9.838  -2.721  -2.108
  392    HA   CYS  52           HA       CYS  52  -8.815  -5.335  -1.546
  393   1HB   CYS  52          1HB       CYS  52 -11.284  -3.833  -0.967
  394   2HB   CYS  52          2HB       CYS  52 -11.383  -5.582  -0.905
  395    H    MET  53           H        MET  53  -9.897  -4.083  -4.379
  396    HA   MET  53           HA       MET  53 -11.364  -6.456  -5.290
  397   1HB   MET  53          1HB       MET  53 -12.470  -4.446  -5.901
  398   2HB   MET  53          2HB       MET  53 -10.970  -3.696  -6.411
  399   1HG   MET  53          1HG       MET  53 -11.513  -6.163  -7.832
  400   2HG   MET  53          2HG       MET  53 -12.779  -4.971  -8.049
  401   1HE   MET  53          1HE       MET  53  -9.874  -6.388  -9.597
  402   2HE   MET  53          2HE       MET  53 -11.331  -5.920 -10.540
  403   3HE   MET  53          3HE       MET  53  -9.734  -5.193 -10.932
  404    H    GLN  54           H        GLN  54  -8.654  -4.310  -6.263
  405    HA   GLN  54           HA       GLN  54  -7.736  -6.188  -8.237
  406   1HB   GLN  54          1HB       GLN  54  -6.711  -3.686  -7.027
  407   2HB   GLN  54          2HB       GLN  54  -5.597  -4.715  -7.905
  408   1HG   GLN  54          1HG       GLN  54  -6.379  -4.034  -9.853
  409   2HG   GLN  54          2HG       GLN  54  -8.032  -4.357  -9.371
  410   1HE2  GLN  54          2HE2      GLN  54  -9.051  -2.560 -10.171
  411   2HE2  GLN  54          1HE2      GLN  54  -8.666  -0.930  -9.665
  412    H    LEU  55           H        LEU  55  -7.036  -5.634  -4.803
  413    HA   LEU  55           HA       LEU  55  -4.610  -7.044  -4.620
  414   1HB   LEU  55          1HB       LEU  55  -6.819  -6.295  -2.848
  415   2HB   LEU  55          2HB       LEU  55  -5.845  -7.648  -2.308
  416    HG   LEU  55           HG       LEU  55  -4.307  -5.331  -3.173
  417   1HD1  LEU  55          1HD1      LEU  55  -6.124  -4.069  -2.146
  418   2HD1  LEU  55          2HD1      LEU  55  -5.988  -5.077  -0.663
  419   3HD1  LEU  55          3HD1      LEU  55  -4.638  -3.987  -1.135
  420   1HD2  LEU  55          1HD2      LEU  55  -4.238  -7.050  -0.684
  421   2HD2  LEU  55          2HD2      LEU  55  -3.235  -7.257  -2.162
  422   3HD2  LEU  55          3HD2      LEU  55  -3.019  -5.804  -1.125
  423    H    LYS  56           H        LYS  56  -7.941  -8.178  -4.953
  424    HA   LYS  56           HA       LYS  56  -7.379 -10.916  -4.488
  425   1HB   LYS  56          1HB       LYS  56  -9.613 -10.059  -4.423
  426   2HB   LYS  56          2HB       LYS  56  -9.517  -9.577  -6.105
  427   1HG   LYS  56          1HG       LYS  56  -9.978 -11.657  -6.835
  428   2HG   LYS  56          2HG       LYS  56  -8.871 -12.391  -5.693
  429   1HD   LYS  56          1HD       LYS  56 -10.492 -12.600  -4.053
  430   2HD   LYS  56          2HD       LYS  56 -11.455 -11.283  -4.693
  431   1HE   LYS  56          1HE       LYS  56 -11.677 -12.920  -6.767
  432   2HE   LYS  56          2HE       LYS  56 -11.348 -14.136  -5.548
  433   1HZ   LYS  56          1HZ       LYS  56 -13.173 -13.277  -4.268
  434   2HZ   LYS  56          2HZ       LYS  56 -13.485 -12.129  -5.419
  435   3HZ   LYS  56          3HZ       LYS  56 -13.691 -13.732  -5.773
  436    H    ASN  57           H        ASN  57  -7.461  -9.041  -7.541
  437    HA   ASN  57           HA       ASN  57  -6.674 -11.064  -9.271
  438   1HB   ASN  57          1HB       ASN  57  -6.596  -8.165  -9.252
  439   2HB   ASN  57          2HB       ASN  57  -5.268  -8.861 -10.157
  440   1HD2  ASN  57          2HD2      ASN  57  -7.278  -7.290 -11.299
  441   2HD2  ASN  57          1HD2      ASN  57  -8.234  -8.294 -12.366
  442    H    LEU  58           H        LEU  58  -4.697  -9.264  -6.972
  443    HA   LEU  58           HA       LEU  58  -2.191 -10.142  -7.932
  444   1HB   LEU  58          1HB       LEU  58  -3.225  -8.957  -5.439
  445   2HB   LEU  58          2HB       LEU  58  -1.645  -9.713  -5.384
  446    HG   LEU  58           HG       LEU  58  -2.491  -7.435  -7.131
  447   1HD1  LEU  58          1HD1      LEU  58  -2.044  -6.815  -4.786
  448   2HD1  LEU  58          2HD1      LEU  58  -0.452  -7.646  -4.884
  449   3HD1  LEU  58          3HD1      LEU  58  -0.765  -6.182  -5.879
  450   1HD2  LEU  58          1HD2      LEU  58   0.150  -8.887  -6.974
  451   2HD2  LEU  58          2HD2      LEU  58  -1.007  -8.936  -8.350
  452   3HD2  LEU  58          3HD2      LEU  58  -0.181  -7.396  -7.923
  453    H    ASP  59           H        ASP  59  -0.779 -11.352  -6.048
  454    HA   ASP  59           HA       ASP  59  -1.937 -14.061  -6.061
  455   1HB   ASP  59          1HB       ASP  59   0.839 -13.161  -5.346
  456   2HB   ASP  59          2HB       ASP  59   0.308 -14.811  -5.602
  457    H    GLU  60           H        GLU  60  -1.766 -15.406  -4.151
  458    HA   GLU  60           HA       GLU  60  -2.572 -13.993  -1.762
  459   1HB   GLU  60          1HB       GLU  60  -2.896 -16.566  -2.725
  460   2HB   GLU  60          2HB       GLU  60  -1.808 -16.768  -1.367
  461   1HG   GLU  60          1HG       GLU  60  -3.488 -15.199  -0.128
  462   2HG   GLU  60          2HG       GLU  60  -4.597 -15.678  -1.397
  463    H    LYS  61           H        LYS  61   0.417 -15.201  -3.049
  464    HA   LYS  61           HA       LYS  61   1.797 -14.873  -0.499
  465   1HB   LYS  61          1HB       LYS  61   3.668 -15.824  -1.569
  466   2HB   LYS  61          2HB       LYS  61   2.273 -16.729  -2.123
  467   1HG   LYS  61          1HG       LYS  61   2.248 -15.259  -4.166
  468   2HG   LYS  61          2HG       LYS  61   3.781 -14.600  -3.631
  469   1HD   LYS  61          1HD       LYS  61   4.788 -16.297  -4.694
  470   2HD   LYS  61          2HD       LYS  61   4.098 -17.374  -3.496
  471   1HE   LYS  61          1HE       LYS  61   2.353 -16.551  -5.757
  472   2HE   LYS  61          2HE       LYS  61   3.637 -17.692  -6.106
  473   1HZ   LYS  61          1HZ       LYS  61   2.797 -19.096  -4.366
  474   2HZ   LYS  61          2HZ       LYS  61   1.584 -18.018  -4.036
  475   3HZ   LYS  61          3HZ       LYS  61   1.618 -18.806  -5.493
  476    H    CYS  62           H        CYS  62   0.844 -12.877  -3.083
  477    HA   CYS  62           HA       CYS  62   2.998 -10.947  -2.546
  478   1HB   CYS  62          1HB       CYS  62   0.883 -11.181  -4.642
  479   2HB   CYS  62          2HB       CYS  62   1.870  -9.746  -4.446
  480    H    MET  63           H        MET  63  -0.157 -11.742  -1.543
  481    HA   MET  63           HA       MET  63  -0.967  -9.004  -0.985
  482   1HB   MET  63          1HB       MET  63  -2.124 -11.717  -0.533
  483   2HB   MET  63          2HB       MET  63  -2.855 -10.273   0.141
  484   1HG   MET  63          1HG       MET  63  -3.607  -9.553  -1.857
  485   2HG   MET  63          2HG       MET  63  -2.234 -10.202  -2.730
  486   1HE   MET  63          1HE       MET  63  -4.089 -12.435  -0.190
  487   2HE   MET  63          2HE       MET  63  -5.416 -11.315  -0.657
  488   3HE   MET  63          3HE       MET  63  -5.495 -13.048  -1.129
  489    H    CYS  64           H        CYS  64   1.266  -8.927   0.274
  490    HA   CYS  64           HA       CYS  64   0.844  -8.618   2.969
  491   1HB   CYS  64          1HB       CYS  64   0.667 -10.702   3.768
  492   2HB   CYS  64          2HB       CYS  64   1.399 -11.418   2.346
  493    HA   PRO  65           HA       PRO  65   5.444  -8.595   2.064
  494   1HB   PRO  65          1HB       PRO  65   6.395  -9.811  -0.237
  495   2HB   PRO  65          2HB       PRO  65   6.367 -10.562   1.347
  496   1HG   PRO  65          1HG       PRO  65   4.663 -11.078  -0.969
  497   2HG   PRO  65          2HG       PRO  65   4.924 -12.067   0.454
  498   1HD   PRO  65          1HD       PRO  65   2.678 -10.444  -0.120
  499   2HD   PRO  65          2HD       PRO  65   2.994 -11.340   1.352
  500    H    ALA  66           H        ALA  66   3.470  -8.542  -0.879
  501    HA   ALA  66           HA       ALA  66   4.956  -6.475  -2.166
  502   1HB   ALA  66          1HB       ALA  66   3.493  -8.015  -3.397
  503   2HB   ALA  66          2HB       ALA  66   2.078  -7.359  -2.504
  504   3HB   ALA  66          3HB       ALA  66   2.994  -6.305  -3.636
  505    H    ILE  67           H        ILE  67   1.929  -6.498  -0.217
  506    HA   ILE  67           HA       ILE  67   1.159  -3.905  -0.291
  507    HB   ILE  67           HB       ILE  67   1.450  -5.686   2.087
  508   1HG1  ILE  67          1HG1      ILE  67  -0.433  -5.473  -0.089
  509   2HG1  ILE  67          2HG1      ILE  67  -0.212  -6.760   1.079
  510   1HG2  ILE  67          1HG2      ILE  67   1.444  -3.387   2.903
  511   2HG2  ILE  67          2HG2      ILE  67  -0.024  -3.039   1.923
  512   3HG2  ILE  67          3HG2      ILE  67  -0.113  -4.195   3.296
  513   1HD1  ILE  67          1HD1      ILE  67  -1.571  -5.530   2.727
  514   2HD1  ILE  67          2HD1      ILE  67  -1.797  -4.209   1.529
  515   3HD1  ILE  67          3HD1      ILE  67  -2.489  -5.839   1.212
  516    H    MET  68           H        MET  68   3.766  -5.058   1.945
  517    HA   MET  68           HA       MET  68   4.535  -2.656   3.022
  518   1HB   MET  68          1HB       MET  68   6.280  -4.859   1.983
  519   2HB   MET  68          2HB       MET  68   6.792  -3.617   3.109
  520   1HG   MET  68          1HG       MET  68   5.633  -4.525   4.849
  521   2HG   MET  68          2HG       MET  68   4.367  -5.157   3.815
  522   1HE   MET  68          1HE       MET  68   5.003  -7.021   6.004
  523   2HE   MET  68          2HE       MET  68   4.048  -7.511   4.563
  524   3HE   MET  68          3HE       MET  68   5.374  -8.566   5.162
  525    H    MET  69           H        MET  69   5.964  -4.017   0.039
  526    HA   MET  69           HA       MET  69   7.354  -1.765  -0.799
  527   1HB   MET  69          1HB       MET  69   6.169  -4.105  -2.177
  528   2HB   MET  69          2HB       MET  69   6.877  -2.810  -3.121
  529   1HG   MET  69          1HG       MET  69   8.295  -4.279  -0.922
  530   2HG   MET  69          2HG       MET  69   8.463  -4.641  -2.627
  531   1HE   MET  69          1HE       MET  69  10.724  -3.770  -0.379
  532   2HE   MET  69          2HE       MET  69  11.121  -4.348  -2.035
  533   3HE   MET  69          3HE       MET  69  11.813  -2.801  -1.432
  534    H    MET  70           H        MET  70   3.931  -2.454  -1.208
  535    HA   MET  70           HA       MET  70   3.236  -0.574  -3.104
  536   1HB   MET  70          1HB       MET  70   1.192  -1.199  -2.550
  537   2HB   MET  70          2HB       MET  70   1.978  -2.309  -1.447
  538   1HG   MET  70          1HG       MET  70   1.833  -0.440   0.256
  539   2HG   MET  70          2HG       MET  70   0.714   0.321  -0.856
  540   1HE   MET  70          1HE       MET  70  -0.505   0.253   1.728
  541   2HE   MET  70          2HE       MET  70  -1.464   0.489   0.226
  542   3HE   MET  70          3HE       MET  70  -2.034  -0.660   1.487
  543    H    LEU  71           H        LEU  71   3.980  -0.111   0.305
  544    HA   LEU  71           HA       LEU  71   3.417   2.766   0.022
  545   1HB   LEU  71          1HB       LEU  71   3.663   1.066   2.473
  546   2HB   LEU  71          2HB       LEU  71   3.428   2.802   2.479
  547    HG   LEU  71           HG       LEU  71   1.542   0.650   1.725
  548   1HD1  LEU  71          1HD1      LEU  71   1.567   1.370   4.016
  549   2HD1  LEU  71          2HD1      LEU  71   1.350   3.076   3.493
  550   3HD1  LEU  71          3HD1      LEU  71   0.039   1.876   3.214
  551   1HD2  LEU  71          1HD2      LEU  71   1.205   3.552   0.949
  552   2HD2  LEU  71          2HD2      LEU  71   1.422   2.167  -0.176
  553   3HD2  LEU  71          3HD2      LEU  71  -0.058   2.278   0.840
  554    H    ASN  72           H        ASN  72   5.686   1.375  -1.110
  555    HA   ASN  72           HA       ASN  72   7.826   2.860   0.291
  556   1HB   ASN  72          1HB       ASN  72   7.907   0.181  -1.049
  557   2HB   ASN  72          2HB       ASN  72   9.349   1.101  -0.670
  558   1HD2  ASN  72          2HD2      ASN  72   8.860   2.142   1.785
  559   2HD2  ASN  72          1HD2      ASN  72   8.701   0.834   2.935
  560    H    GLU  73           H        GLU  73   5.872   2.872  -2.305
  561    HA   GLU  73           HA       GLU  73   7.681   3.222  -4.446
  562   1HB   GLU  73          1HB       GLU  73   4.866   3.258  -4.033
  563   2HB   GLU  73          2HB       GLU  73   5.317   4.685  -4.945
  564   1HG   GLU  73          1HG       GLU  73   6.815   2.825  -6.213
  565   2HG   GLU  73          2HG       GLU  73   5.464   1.831  -5.712
  566    HA   PRO  74           HA       PRO  74   8.882   7.413  -4.171
  567   1HB   PRO  74          1HB       PRO  74   8.325   8.513  -6.638
  568   2HB   PRO  74          2HB       PRO  74   9.706   7.496  -6.285
  569   1HG   PRO  74          1HG       PRO  74   7.270   6.848  -7.787
  570   2HG   PRO  74          2HG       PRO  74   8.821   6.034  -7.795
  571   1HD   PRO  74          1HD       PRO  74   6.473   5.240  -6.431
  572   2HD   PRO  74          2HD       PRO  74   8.056   4.493  -6.346
  573    H    MET  75           H        MET  75   6.370   6.997  -3.019
  574    HA   MET  75           HA       MET  75   5.403   9.639  -2.761
  575   1HB   MET  75          1HB       MET  75   4.505   8.669  -5.071
  576   2HB   MET  75          2HB       MET  75   3.318   7.934  -4.013
  577   1HG   MET  75          1HG       MET  75   3.525  10.550  -3.107
  578   2HG   MET  75          2HG       MET  75   3.572  10.689  -4.853
  579   1HE   MET  75          1HE       MET  75   1.379  11.995  -5.094
  580   2HE   MET  75          2HE       MET  75   1.610  10.706  -6.326
  581   3HE   MET  75          3HE       MET  75  -0.010  10.965  -5.589
  582    H    TRP  76           H        TRP  76   6.248   7.285  -1.186
  583    HA   TRP  76           HA       TRP  76   3.977   7.275   0.638
  584   1HB   TRP  76          1HB       TRP  76   4.996   4.859  -0.756
  585   2HB   TRP  76          2HB       TRP  76   4.317   4.733   0.854
  586    HD1  TRP  76           HD       TRP  76   3.221   4.177  -2.505
  587    HE1  TRP  76           1HE      TRP  76   0.686   4.503  -2.782
  588    HE3  TRP  76           3HE      TRP  76   2.272   6.705   1.817
  589    HZ2  TRP  76           2HZ      TRP  76  -1.465   5.751  -1.359
  590    HZ3  TRP  76           3HZ      TRP  76  -0.025   7.484   2.317
  591    HH2  TRP  76           HH       TRP  76  -1.867   6.967   0.768
  592    H    ILE  77           H        ILE  77   5.329   8.574   1.904
  593    HA   ILE  77           HA       ILE  77   7.729   7.199   2.970
  594    HB   ILE  77           HB       ILE  77   7.640  10.148   2.955
  595   1HG1  ILE  77          1HG1      ILE  77   7.132   9.759   0.673
  596   2HG1  ILE  77          2HG1      ILE  77   8.821  10.207   0.789
  597   1HG2  ILE  77          1HG2      ILE  77   9.376   9.016   4.231
  598   2HG2  ILE  77          2HG2      ILE  77   9.874   8.104   2.764
  599   3HG2  ILE  77          3HG2      ILE  77  10.101   9.886   2.834
  600   1HD1  ILE  77          1HD1      ILE  77   9.485   7.837   0.610
  601   2HD1  ILE  77          2HD1      ILE  77   7.751   7.377   0.491
  602   3HD1  ILE  77          3HD1      ILE  77   8.512   8.359  -0.809
  603    H    ARG  78           H        ARG  78   7.840   9.720   4.800
  604    HA   ARG  78           HA       ARG  78   6.728   8.659   7.076
  605   1HB   ARG  78          1HB       ARG  78   7.383  11.407   6.191
  606   2HB   ARG  78          2HB       ARG  78   6.411  11.223   7.637
  607   1HG   ARG  78          1HG       ARG  78   8.376  10.974   8.709
  608   2HG   ARG  78          2HG       ARG  78   8.387   9.362   8.022
  609   1HD   ARG  78          1HD       ARG  78   9.549  10.358   6.009
  610   2HD   ARG  78          2HD       ARG  78   9.733  11.828   6.944
  611    HE   ARG  78           HE       ARG  78  10.707   9.661   8.478
  612   1HH1  ARG  78          1HH2      ARG  78  11.558  11.435   5.583
  613   2HH1  ARG  78          2HH2      ARG  78  13.268  11.117   5.771
  614   1HH2  ARG  78          1HH1      ARG  78  12.905   9.283   8.690
  615   2HH2  ARG  78          2HH1      ARG  78  14.017   9.919   7.499
  616    H    MET  79           H        MET  79   5.100  10.580   4.592
  617    HA   MET  79           HA       MET  79   2.688  11.178   5.749
  618   1HB   MET  79          1HB       MET  79   1.705  10.670   3.484
  619   2HB   MET  79          2HB       MET  79   3.045  11.798   3.495
  620   1HG   MET  79          1HG       MET  79   4.244   9.320   3.226
  621   2HG   MET  79          2HG       MET  79   2.813   9.213   2.221
  622   1HE   MET  79          1HE       MET  79   3.247   9.244  -0.118
  623   2HE   MET  79          2HE       MET  79   2.275  10.719   0.217
  624   3HE   MET  79          3HE       MET  79   3.667  10.799  -0.918
  625    H    ARG  80           H        ARG  80   3.857   7.955   4.866
  626    HA   ARG  80           HA       ARG  80   1.495   6.553   5.099
  627   1HB   ARG  80          1HB       ARG  80   4.213   5.689   5.967
  628   2HB   ARG  80          2HB       ARG  80   2.827   4.644   5.725
  629   1HG   ARG  80          1HG       ARG  80   2.823   4.989   3.405
  630   2HG   ARG  80          2HG       ARG  80   3.806   6.434   3.530
  631   1HD   ARG  80          1HD       ARG  80   4.645   3.583   3.920
  632   2HD   ARG  80          2HD       ARG  80   5.231   4.724   2.728
  633    HE   ARG  80           HE       ARG  80   5.989   5.902   4.999
  634   1HH1  ARG  80          1HH2      ARG  80   6.444   2.651   3.899
  635   2HH1  ARG  80          2HH2      ARG  80   7.914   2.444   4.823
  636   1HH2  ARG  80          1HH1      ARG  80   7.814   5.648   6.179
  637   2HH2  ARG  80          2HH1      ARG  80   8.690   4.135   6.112
  638    H    ASP  81           H        ASP  81   2.884   8.436   7.572
  639    HA   ASP  81           HA       ASP  81   2.720   7.253   9.938
  640   1HB   ASP  81          1HB       ASP  81   2.775   9.765   9.226
  641   2HB   ASP  81          2HB       ASP  81   1.048   9.688   9.514
  642    H    GLN  82           H        GLN  82  -0.154   8.425   8.182
  643    HA   GLN  82           HA       GLN  82  -1.939   7.102  10.014
  644   1HB   GLN  82          1HB       GLN  82  -2.231   8.972   7.821
  645   2HB   GLN  82          2HB       GLN  82  -3.498   7.764   7.909
  646   1HG   GLN  82          1HG       GLN  82  -4.277   9.492   9.263
  647   2HG   GLN  82          2HG       GLN  82  -3.611   8.332  10.394
  648   1HE2  GLN  82          2HE2      GLN  82  -1.189   8.717  10.900
  649   2HE2  GLN  82          1HE2      GLN  82  -0.740  10.383  11.189
  650    H    VAL  83           H        VAL  83  -2.220   6.905   6.515
  651    HA   VAL  83           HA       VAL  83  -3.230   4.586   5.968
  652    HB   VAL  83           HB       VAL  83  -2.494   5.283   4.038
  653   1HG1  VAL  83          1HG1      VAL  83  -1.420   7.231   4.914
  654   2HG1  VAL  83          2HG1      VAL  83   0.043   6.260   5.297
  655   3HG1  VAL  83          3HG1      VAL  83  -0.449   6.506   3.585
  656   1HG2  VAL  83          1HG2      VAL  83  -0.035   3.729   4.772
  657   2HG2  VAL  83          2HG2      VAL  83  -1.551   3.083   4.051
  658   3HG2  VAL  83          3HG2      VAL  83  -0.519   4.217   3.110
  659    H    MET  84           H        MET  84   0.235   4.618   6.931
  660    HA   MET  84           HA       MET  84   0.918   2.061   7.110
  661   1HB   MET  84          1HB       MET  84   2.317   3.820   7.928
  662   2HB   MET  84          2HB       MET  84   1.211   4.135   9.250
  663   1HG   MET  84          1HG       MET  84   1.649   1.908  10.143
  664   2HG   MET  84          2HG       MET  84   2.763   1.603   8.825
  665   1HE   MET  84          1HE       MET  84   2.422   5.154  10.286
  666   2HE   MET  84          2HE       MET  84   1.939   4.170  11.712
  667   3HE   MET  84          3HE       MET  84   3.468   5.114  11.747
  668    H    SER  85           H        SER  85  -0.695   3.582   9.923
  669    HA   SER  85           HA       SER  85  -1.583   1.009  10.894
  670   1HB   SER  85          1HB       SER  85  -0.870   2.984  12.309
  671   2HB   SER  85          2HB       SER  85  -2.435   3.676  11.935
  672    HG   SER  85           HG       SER  85  -2.479   2.395  13.859
  673    H    MET  86           H        MET  86  -2.603   1.478   8.315
  674    HA   MET  86           HA       MET  86  -5.458   1.254   8.845
  675   1HB   MET  86          1HB       MET  86  -4.180   3.457   7.344
  676   2HB   MET  86          2HB       MET  86  -5.712   2.825   6.774
  677   1HG   MET  86          1HG       MET  86  -5.184   3.905   9.527
  678   2HG   MET  86          2HG       MET  86  -6.029   4.746   8.243
  679   1HE   MET  86          1HE       MET  86  -6.988   3.955  11.302
  680   2HE   MET  86          2HE       MET  86  -7.906   5.047  10.208
  681   3HE   MET  86          3HE       MET  86  -8.731   3.651  10.983
  682    H    ALA  87           H        ALA  87  -2.977   1.383   6.294
  683    HA   ALA  87           HA       ALA  87  -4.324  -0.472   4.586
  684   1HB   ALA  87          1HB       ALA  87  -2.915   1.322   3.684
  685   2HB   ALA  87          2HB       ALA  87  -1.504   0.650   4.572
  686   3HB   ALA  87          3HB       ALA  87  -2.261  -0.293   3.242
  687    H    HIS  88           H        HIS  88  -2.934  -0.935   7.537
  688    HA   HIS  88           HA       HIS  88  -1.720  -3.502   6.804
  689   1HB   HIS  88          1HB       HIS  88  -0.696  -3.456   8.869
  690   2HB   HIS  88          2HB       HIS  88  -0.668  -1.787   8.338
  691    HD1  HIS  88           1HD      HIS  88  -1.029  -3.482  11.382
  692    HD2  HIS  88           2HD      HIS  88  -3.338  -0.588   9.382
  693    HE1  HIS  88           1HE      HIS  88  -2.378  -2.246  13.195
  694    HE2  HIS  88           2HE      HIS  88  -3.817  -0.495  11.954
  695    H    ASN  89           H        ASN  89  -4.577  -2.093   8.211
  696    HA   ASN  89           HA       ASN  89  -5.575  -4.779   8.937
  697   1HB   ASN  89          1HB       ASN  89  -6.184  -2.000   9.804
  698   2HB   ASN  89          2HB       ASN  89  -7.476  -3.184   9.839
  699   1HD2  ASN  89          2HD2      ASN  89  -3.990  -3.374  10.466
  700   2HD2  ASN  89          1HD2      ASN  89  -4.137  -4.043  12.075
  701    H    LEU  90           H        LEU  90  -5.981  -2.098   6.713
  702    HA   LEU  90           HA       LEU  90  -8.548  -2.675   5.749
  703   1HB   LEU  90          1HB       LEU  90  -6.135  -1.325   4.699
  704   2HB   LEU  90          2HB       LEU  90  -7.414  -1.722   3.569
  705    HG   LEU  90           HG       LEU  90  -7.951  -0.206   6.089
  706   1HD1  LEU  90          1HD1      LEU  90  -6.229   1.039   4.845
  707   2HD1  LEU  90          2HD1      LEU  90  -7.235   0.928   3.359
  708   3HD1  LEU  90          3HD1      LEU  90  -7.815   1.882   4.768
  709   1HD2  LEU  90          1HD2      LEU  90  -9.402  -0.423   3.431
  710   2HD2  LEU  90          2HD2      LEU  90  -9.879  -1.230   4.965
  711   3HD2  LEU  90          3HD2      LEU  90  -9.935   0.562   4.839
  712    HA   PRO  91           HA       PRO  91  -6.619  -5.725   2.703
  713   1HB   PRO  91          1HB       PRO  91  -4.026  -6.552   3.100
  714   2HB   PRO  91          2HB       PRO  91  -4.499  -5.290   1.980
  715   1HG   PRO  91          1HG       PRO  91  -3.154  -5.058   4.556
  716   2HG   PRO  91          2HG       PRO  91  -3.268  -3.888   3.256
  717   1HD   PRO  91          1HD       PRO  91  -4.742  -3.932   5.670
  718   2HD   PRO  91          2HD       PRO  91  -4.921  -2.817   4.331
  719    H    ILE  92           H        ILE  92  -5.302  -5.993   6.024
  720    HA   ILE  92           HA       ILE  92  -5.498  -8.810   6.160
  721    HB   ILE  92           HB       ILE  92  -5.359  -6.566   8.067
  722   1HG1  ILE  92          1HG1      ILE  92  -3.635  -8.687   7.058
  723   2HG1  ILE  92          2HG1      ILE  92  -3.249  -7.052   7.558
  724   1HG2  ILE  92          1HG2      ILE  92  -7.008  -8.001   9.133
  725   2HG2  ILE  92          2HG2      ILE  92  -5.924  -9.420   8.912
  726   3HG2  ILE  92          3HG2      ILE  92  -5.441  -8.080  10.010
  727   1HD1  ILE  92          1HD1      ILE  92  -3.321  -7.731   9.914
  728   2HD1  ILE  92          2HD1      ILE  92  -3.717  -9.408   9.402
  729   3HD1  ILE  92          3HD1      ILE  92  -2.123  -8.691   8.979
  730    H    GLU  93           H        GLU  93  -7.829  -6.254   7.006
  731    HA   GLU  93           HA       GLU  93  -9.852  -8.002   7.960
  732   1HB   GLU  93          1HB       GLU  93  -9.796  -5.190   6.977
  733   2HB   GLU  93          2HB       GLU  93 -11.342  -5.982   7.208
  734   1HG   GLU  93          1HG       GLU  93  -9.839  -6.560   9.512
  735   2HG   GLU  93          2HG       GLU  93  -9.575  -4.859   9.185
  736    H    CYS  94           H        CYS  94  -8.768  -7.221   4.762
  737    HA   CYS  94           HA       CYS  94 -11.137  -8.394   3.538
  738   1HB   CYS  94          1HB       CYS  94  -8.745  -6.946   2.607
  739   2HB   CYS  94          2HB       CYS  94  -9.498  -8.062   1.487
  740    H    ASN  95           H        ASN  95  -8.265  -9.524   4.900
  741    HA   ASN  95           HA       ASN  95  -7.508 -11.670   5.134
  742   1HB   ASN  95          1HB       ASN  95  -9.908 -12.264   4.256
  743   2HB   ASN  95          2HB       ASN  95  -9.043 -12.656   2.784
  744   1HD2  ASN  95          2HD2      ASN  95  -6.776 -13.830   3.511
  745   2HD2  ASN  95          1HD2      ASN  95  -7.072 -15.234   4.512
  746    H    LEU  96           H        LEU  96  -6.573  -9.467   3.296
  747    HA   LEU  96           HA       LEU  96  -5.426 -10.829   1.026
  748   1HB   LEU  96          1HB       LEU  96  -4.793  -8.076   1.963
  749   2HB   LEU  96          2HB       LEU  96  -4.623  -8.744   0.352
  750    HG   LEU  96           HG       LEU  96  -7.205  -8.222   1.760
  751   1HD1  LEU  96          1HD1      LEU  96  -6.108  -6.154   1.240
  752   2HD1  LEU  96          2HD1      LEU  96  -5.867  -6.697  -0.457
  753   3HD1  LEU  96          3HD1      LEU  96  -7.528  -6.402   0.165
  754   1HD2  LEU  96          1HD2      LEU  96  -6.706  -9.102  -1.078
  755   2HD2  LEU  96          2HD2      LEU  96  -7.437 -10.082   0.240
  756   3HD2  LEU  96          3HD2      LEU  96  -8.298  -8.633  -0.386
  757    H    MET  97           H        MET  97  -4.143  -9.087   3.856
  758    HA   MET  97           HA       MET  97  -1.829 -10.919   3.787
  759   1HB   MET  97          1HB       MET  97  -0.442  -9.125   4.540
  760   2HB   MET  97          2HB       MET  97  -1.289  -8.635   3.087
  761   1HG   MET  97          1HG       MET  97  -2.092  -6.876   4.143
  762   2HG   MET  97          2HG       MET  97  -2.891  -7.927   5.292
  763   1HE   MET  97          1HE       MET  97   0.938  -7.738   4.688
  764   2HE   MET  97          2HE       MET  97   0.403  -6.050   4.375
  765   3HE   MET  97          3HE       MET  97   1.443  -6.415   5.796
  766    H    SER  98           H        SER  98  -4.412 -11.092   5.267
  767    HA   SER  98           HA       SER  98  -4.497 -10.377   7.838
  768   1HB   SER  98          1HB       SER  98  -5.559 -12.490   8.394
  769   2HB   SER  98          2HB       SER  98  -6.127 -11.851   6.864
  770    HG   SER  98           HG       SER  98  -5.650 -14.096   6.754
  771    H    GLN  99           H        GLN  99  -3.044 -13.550   7.241
  772    HA   GLN  99           HA       GLN  99  -0.590 -12.783   8.570
  773   1HB   GLN  99          1HB       GLN  99  -2.700 -13.705  10.087
  774   2HB   GLN  99          2HB       GLN  99  -1.694 -15.124   9.870
  775   1HG   GLN  99          1HG       GLN  99   0.117 -14.170  10.931
  776   2HG   GLN  99          2HG       GLN  99  -0.406 -12.536  10.573
  777   1HE2  GLN  99          2HE2      GLN  99   0.205 -12.327  12.918
  778   2HE2  GLN  99          1HE2      GLN  99  -1.058 -12.628  14.091
  779    HA   PRO 100           HA       PRO 100  -0.516 -16.225   5.441
  780   1HB   PRO 100          1HB       PRO 100   0.653 -14.863   3.331
  781   2HB   PRO 100          2HB       PRO 100  -1.064 -15.170   3.488
  782   1HG   PRO 100          1HG       PRO 100   0.393 -12.669   3.837
  783   2HG   PRO 100          2HG       PRO 100  -1.329 -12.924   3.633
  784   1HD   PRO 100          1HD       PRO 100   0.074 -12.354   6.038
  785   2HD   PRO 100          2HD       PRO 100  -1.642 -12.647   5.841
  786    H    CYS 101           H        CYS 101   1.967 -13.647   5.141
  787    HA   CYS 101           HA       CYS 101   4.102 -15.558   5.251
  788   1HB   CYS 101          1HB       CYS 101   4.522 -12.673   5.761
  789   2HB   CYS 101          2HB       CYS 101   5.493 -13.796   4.831
  790    H    GLN 102           H        GLN 102   5.037 -16.423   6.964
  791    HA   GLN 102           HA       GLN 102   4.670 -15.084   9.580
  792   1HB   GLN 102          1HB       GLN 102   4.604 -18.035   9.024
  793   2HB   GLN 102          2HB       GLN 102   4.549 -17.303  10.614
  794   1HG   GLN 102          1HG       GLN 102   2.524 -15.976   9.582
  795   2HG   GLN 102          2HG       GLN 102   2.472 -17.335   8.477
  796   1HE2  GLN 102          2HE2      GLN 102   1.440 -19.158   9.103
  797   2HE2  GLN 102          1HE2      GLN 102   0.932 -19.494  10.743
  798    H    MET 103           H        MET 103   6.246 -16.221  11.223
  799    HA   MET 103           HA       MET 103   8.936 -15.979  10.072
  800   1HB   MET 103          1HB       MET 103   7.742 -15.039  12.353
  801   2HB   MET 103          2HB       MET 103   8.714 -16.374  12.940
  802   1HG   MET 103          1HG       MET 103  10.175 -14.792  11.018
  803   2HG   MET 103          2HG       MET 103   9.600 -13.800  12.344
  804   1HE   MET 103          1HE       MET 103  11.790 -13.132  13.409
  805   2HE   MET 103          2HE       MET 103  10.578 -13.678  14.618
  806   3HE   MET 103          3HE       MET 103  12.301 -14.163  14.789
  Start of MODEL    8
    1    HA   PRO   1           HA       PRO   1   5.432  -4.564   8.406
    2   1HB   PRO   1          1HB       PRO   1   4.382  -4.627   5.900
    3   2HB   PRO   1          2HB       PRO   1   3.734  -5.517   7.263
    4   1HG   PRO   1          1HG       PRO   1   2.656  -3.104   5.955
    5   2HG   PRO   1          2HG       PRO   1   1.836  -4.237   7.010
    6   1HD   PRO   1          1HD       PRO   1   2.896  -1.680   7.679
    7   2HD   PRO   1          2HD       PRO   1   2.093  -2.821   8.739
    8    H    TYR   2           H        TYR   2   7.359  -3.521   8.495
    9    HA   TYR   2           HA       TYR   2   8.053  -1.696   6.291
   10   1HB   TYR   2          1HB       TYR   2   9.638  -0.767   7.693
   11   2HB   TYR   2          2HB       TYR   2   8.305  -1.134   8.769
   12    HD1  TYR   2           1HD      TYR   2   8.425  -3.172  10.267
   13    HD2  TYR   2           2HD      TYR   2  11.792  -1.757   7.977
   14    HE1  TYR   2           1HE      TYR   2   9.971  -4.522  11.685
   15    HE2  TYR   2           2HE      TYR   2  13.325  -3.171   9.334
   16    HH   TYR   2           HH       TYR   2  13.485  -4.563  11.071
   17    H    GLY   3           H        GLY   3   7.892  -4.739   6.181
   18   1HA   GLY   3          1HA       GLY   3   9.094  -6.434   5.240
   19   2HA   GLY   3          2HA       GLY   3  10.250  -5.240   4.685
   20    H    ARG   4           H        ARG   4  11.211  -7.644   5.351
   21    HA   ARG   4           HA       ARG   4  12.718  -7.010   7.801
   22   1HB   ARG   4          1HB       ARG   4  10.749  -8.774   8.020
   23   2HB   ARG   4          2HB       ARG   4  11.979  -9.854   7.393
   24   1HG   ARG   4          1HG       ARG   4  13.491  -8.745   9.219
   25   2HG   ARG   4          2HG       ARG   4  11.964  -8.301   9.953
   26   1HD   ARG   4          1HD       ARG   4  11.526 -10.422  10.609
   27   2HD   ARG   4          2HD       ARG   4  12.111 -11.106   9.105
   28    HE   ARG   4           HE       ARG   4  13.591 -10.785  11.569
   29   1HH1  ARG   4          1HH2      ARG   4  13.945 -11.039   8.090
   30   2HH1  ARG   4          2HH2      ARG   4  15.611 -11.558   8.203
   31   1HH2  ARG   4          1HH1      ARG   4  15.744 -11.437  11.639
   32   2HH2  ARG   4          2HH1      ARG   4  16.600 -11.777  10.152
   33    H    GLY   5           H        GLY   5  13.404  -6.668   5.035
   34   1HA   GLY   5          1HA       GLY   5  15.978  -7.471   4.832
   35   2HA   GLY   5          2HA       GLY   5  15.110  -8.890   4.280
   36    H    ARG   6           H        ARG   6  15.400  -8.918   2.149
   37    HA   ARG   6           HA       ARG   6  13.927  -7.188   0.472
   38   1HB   ARG   6          1HB       ARG   6  16.070  -5.798   1.218
   39   2HB   ARG   6          2HB       ARG   6  16.841  -6.773  -0.018
   40   1HG   ARG   6          1HG       ARG   6  16.136  -5.144  -1.416
   41   2HG   ARG   6          2HG       ARG   6  14.596  -5.973  -1.318
   42   1HD   ARG   6          1HD       ARG   6  13.733  -4.440   0.226
   43   2HD   ARG   6          2HD       ARG   6  15.324  -3.853   0.667
   44    HE   ARG   6           HE       ARG   6  14.764  -3.364  -2.106
   45   1HH1  ARG   6          1HH2      ARG   6  14.052  -2.136   1.085
   46   2HH1  ARG   6          2HH2      ARG   6  13.743  -0.514   0.506
   47   1HH2  ARG   6          1HH1      ARG   6  14.362  -1.263  -2.812
   48   2HH2  ARG   6          2HH1      ARG   6  13.914  -0.031  -1.653
   49    H    THR   7           H        THR   7  14.047  -7.796  -1.721
   50    HA   THR   7           HA       THR   7  15.694 -10.144  -2.362
   51    HB   THR   7           HB       THR   7  13.706 -11.432  -3.076
   52    HG1  THR   7           1HG      THR   7  11.661 -10.586  -2.401
   53   1HG2  THR   7          1HG2      THR   7  14.533 -11.785  -0.743
   54   2HG2  THR   7          2HG2      THR   7  13.440 -10.466  -0.200
   55   3HG2  THR   7          3HG2      THR   7  12.751 -11.983  -0.875
   56    H    GLU   8           H        GLU   8  14.771 -10.849  -4.755
   57    HA   GLU   8           HA       GLU   8  15.435  -8.593  -6.394
   58   1HB   GLU   8          1HB       GLU   8  15.390 -10.104  -8.210
   59   2HB   GLU   8          2HB       GLU   8  16.050 -10.978  -6.843
   60   1HG   GLU   8          1HG       GLU   8  13.323 -11.441  -6.654
   61   2HG   GLU   8          2HG       GLU   8  13.629 -11.498  -8.377
   62    H    SER   9           H        SER   9  13.708  -9.229  -8.628
   63    HA   SER   9           HA       SER   9  11.524  -7.543  -8.208
   64   1HB   SER   9          1HB       SER   9  10.928  -9.317 -10.324
   65   2HB   SER   9          2HB       SER   9  11.462  -7.650 -10.404
   66    HG   SER   9           HG       SER   9  12.856  -9.073 -11.546
   67    H    GLY  10           H        GLY  10   9.287  -8.711  -9.265
   68   1HA   GLY  10          1HA       GLY  10   8.217 -11.020  -8.615
   69   2HA   GLY  10          2HA       GLY  10   8.374 -10.348  -7.004
   70    H    CYS  11           H        CYS  11   6.060 -10.438  -6.836
   71    HA   CYS  11           HA       CYS  11   4.311  -8.989  -8.471
   72   1HB   CYS  11          1HB       CYS  11   4.252  -9.614  -5.564
   73   2HB   CYS  11          2HB       CYS  11   2.954  -8.757  -6.372
   74    H    TYR  12           H        TYR  12   6.732  -7.791  -6.331
   75    HA   TYR  12           HA       TYR  12   6.007  -5.295  -5.601
   76   1HB   TYR  12          1HB       TYR  12   8.149  -6.036  -5.107
   77   2HB   TYR  12          2HB       TYR  12   8.495  -6.429  -6.779
   78    HD1  TYR  12           1HD      TYR  12  10.044  -5.079  -7.846
   79    HD2  TYR  12           2HD      TYR  12   7.472  -3.401  -4.831
   80    HE1  TYR  12           1HE      TYR  12  11.137  -2.865  -8.142
   81    HE2  TYR  12           2HE      TYR  12   8.587  -1.183  -5.096
   82    HH   TYR  12           HH       TYR  12  10.171  -0.055  -6.168
   83    H    GLN  13           H        GLN  13   7.316  -6.106  -8.834
   84    HA   GLN  13           HA       GLN  13   6.802  -3.464  -9.846
   85   1HB   GLN  13          1HB       GLN  13   8.496  -5.127 -10.701
   86   2HB   GLN  13          2HB       GLN  13   7.159  -6.012 -11.407
   87   1HG   GLN  13          1HG       GLN  13   7.427  -4.693 -13.207
   88   2HG   GLN  13          2HG       GLN  13   6.683  -3.434 -12.241
   89   1HE2  GLN  13          2HE2      GLN  13   8.113  -2.448 -14.152
   90   2HE2  GLN  13          1HE2      GLN  13   9.724  -1.971 -13.663
   91    H    GLN  14           H        GLN  14   4.900  -6.407  -9.583
   92    HA   GLN  14           HA       GLN  14   2.872  -5.591 -11.397
   93   1HB   GLN  14          1HB       GLN  14   3.088  -7.652  -9.280
   94   2HB   GLN  14          2HB       GLN  14   1.497  -7.226  -9.881
   95   1HG   GLN  14          1HG       GLN  14   1.844  -8.577 -11.615
   96   2HG   GLN  14          2HG       GLN  14   3.124  -7.504 -12.144
   97   1HE2  GLN  14          2HE2      GLN  14   5.222  -7.823 -10.765
   98   2HE2  GLN  14          1HE2      GLN  14   5.732  -9.486 -10.588
   99    H    MET  15           H        MET  15   3.493  -4.774  -8.056
  100    HA   MET  15           HA       MET  15   0.943  -3.928  -7.301
  101   1HB   MET  15          1HB       MET  15   3.711  -3.334  -6.429
  102   2HB   MET  15          2HB       MET  15   2.451  -2.219  -5.939
  103   1HG   MET  15          1HG       MET  15   2.144  -3.613  -4.242
  104   2HG   MET  15          2HG       MET  15   1.306  -4.610  -5.416
  105   1HE   MET  15          1HE       MET  15   4.762  -3.701  -3.995
  106   2HE   MET  15          2HE       MET  15   3.683  -4.431  -2.755
  107   3HE   MET  15          3HE       MET  15   5.171  -5.297  -3.273
  108    H    GLU  16           H        GLU  16   3.680  -1.807  -8.279
  109    HA   GLU  16           HA       GLU  16   2.148   0.503  -8.638
  110   1HB   GLU  16          1HB       GLU  16   4.004   1.054 -10.340
  111   2HB   GLU  16          2HB       GLU  16   4.431   0.828  -8.655
  112   1HG   GLU  16          1HG       GLU  16   5.432  -1.217  -9.047
  113   2HG   GLU  16          2HG       GLU  16   4.547  -1.479 -10.536
  114    H    GLU  17           H        GLU  17   2.776  -2.144 -10.911
  115    HA   GLU  17           HA       GLU  17   1.509  -0.883 -13.136
  116   1HB   GLU  17          1HB       GLU  17   3.116  -2.980 -12.961
  117   2HB   GLU  17          2HB       GLU  17   1.591  -3.842 -12.923
  118   1HG   GLU  17          1HG       GLU  17   1.050  -3.257 -15.075
  119   2HG   GLU  17          2HG       GLU  17   1.915  -1.736 -14.992
  120    H    ALA  18           H        ALA  18   0.303  -2.491 -10.368
  121    HA   ALA  18           HA       ALA  18  -2.414  -2.272 -11.407
  122   1HB   ALA  18          1HB       ALA  18  -1.801  -4.634 -11.636
  123   2HB   ALA  18          2HB       ALA  18  -1.291  -4.665  -9.913
  124   3HB   ALA  18          3HB       ALA  18  -3.020  -4.414 -10.334
  125    H    GLU  19           H        GLU  19  -1.452  -0.262 -10.006
  126    HA   GLU  19           HA       GLU  19  -1.113  -0.224  -7.330
  127   1HB   GLU  19          1HB       GLU  19  -2.509   2.030  -7.575
  128   2HB   GLU  19          2HB       GLU  19  -0.871   1.850  -8.173
  129   1HG   GLU  19          1HG       GLU  19  -1.541   1.736 -10.372
  130   2HG   GLU  19          2HG       GLU  19  -3.139   1.143  -9.964
  131    H    MET  20           H        MET  20  -2.203  -1.670  -6.103
  132    HA   MET  20           HA       MET  20  -5.129  -1.700  -6.337
  133   1HB   MET  20          1HB       MET  20  -5.034  -3.828  -5.185
  134   2HB   MET  20          2HB       MET  20  -3.967  -3.865  -6.574
  135   1HG   MET  20          1HG       MET  20  -2.767  -3.046  -4.025
  136   2HG   MET  20          2HG       MET  20  -3.252  -4.724  -4.162
  137   1HE   MET  20          1HE       MET  20  -0.884  -1.930  -5.234
  138   2HE   MET  20          2HE       MET  20  -0.307  -3.056  -3.957
  139   3HE   MET  20          3HE       MET  20   0.532  -2.994  -5.546
  140    H    LEU  21           H        LEU  21  -2.463  -0.833  -4.346
  141    HA   LEU  21           HA       LEU  21  -4.287  -0.296  -2.118
  142   1HB   LEU  21          1HB       LEU  21  -1.325  -0.568  -2.117
  143   2HB   LEU  21          2HB       LEU  21  -2.358  -0.330  -0.722
  144    HG   LEU  21           HG       LEU  21  -3.208  -2.652  -2.096
  145   1HD1  LEU  21          1HD1      LEU  21  -1.001  -2.798  -3.103
  146   2HD1  LEU  21          2HD1      LEU  21  -0.240  -2.646  -1.481
  147   3HD1  LEU  21          3HD1      LEU  21  -1.217  -4.101  -1.883
  148   1HD2  LEU  21          1HD2      LEU  21  -1.862  -2.338   0.589
  149   2HD2  LEU  21          2HD2      LEU  21  -3.628  -2.267   0.257
  150   3HD2  LEU  21          3HD2      LEU  21  -2.729  -3.804   0.013
  151    H    ASN  22           H        ASN  22  -3.984   1.242  -4.593
  152    HA   ASN  22           HA       ASN  22  -2.724   3.721  -3.635
  153   1HB   ASN  22          1HB       ASN  22  -2.190   3.165  -5.897
  154   2HB   ASN  22          2HB       ASN  22  -3.874   2.865  -6.278
  155   1HD2  ASN  22          2HD2      ASN  22  -1.859   5.448  -4.879
  156   2HD2  ASN  22          1HD2      ASN  22  -2.707   6.766  -5.652
  157    H    HIS  23           H        HIS  23  -5.854   2.362  -4.644
  158    HA   HIS  23           HA       HIS  23  -7.298   4.804  -4.378
  159   1HB   HIS  23          1HB       HIS  23  -8.212   1.938  -4.311
  160   2HB   HIS  23          2HB       HIS  23  -9.266   3.328  -4.472
  161    HD1  HIS  23           1HD      HIS  23  -9.874   3.900  -6.891
  162    HD2  HIS  23           2HD      HIS  23  -6.239   1.792  -6.467
  163    HE1  HIS  23           1HE      HIS  23  -9.031   3.420  -9.274
  164    HE2  HIS  23           2HE      HIS  23  -6.810   2.161  -9.015
  165    H    CYS  24           H        CYS  24  -7.153   1.864  -2.308
  166    HA   CYS  24           HA       CYS  24  -8.409   3.110  -0.105
  167   1HB   CYS  24          1HB       CYS  24  -6.745   0.695  -0.499
  168   2HB   CYS  24          2HB       CYS  24  -6.943   1.288   1.139
  169    H    GLY  25           H        GLY  25  -5.195   3.476  -1.360
  170   1HA   GLY  25          1HA       GLY  25  -3.985   4.480   1.023
  171   2HA   GLY  25          2HA       GLY  25  -3.376   4.595  -0.616
  172    H    MET  26           H        MET  26  -5.410   6.015  -1.885
  173    HA   MET  26           HA       MET  26  -4.758   8.659  -1.274
  174   1HB   MET  26          1HB       MET  26  -5.932   7.476  -3.327
  175   2HB   MET  26          2HB       MET  26  -7.383   8.006  -2.498
  176   1HG   MET  26          1HG       MET  26  -5.854  10.255  -2.427
  177   2HG   MET  26          2HG       MET  26  -5.393   9.559  -3.968
  178   1HE   MET  26          1HE       MET  26  -6.452  12.166  -4.500
  179   2HE   MET  26          2HE       MET  26  -6.329  10.913  -5.783
  180   3HE   MET  26          3HE       MET  26  -7.827  11.895  -5.626
  181    H    TYR  27           H        TYR  27  -7.530   6.675  -0.281
  182    HA   TYR  27           HA       TYR  27  -9.061   8.583   1.048
  183   1HB   TYR  27          1HB       TYR  27  -9.668   6.254   0.566
  184   2HB   TYR  27          2HB       TYR  27  -8.520   5.718   1.776
  185    HD1  TYR  27           1HD      TYR  27  -8.924   6.245   4.204
  186    HD2  TYR  27           2HD      TYR  27 -11.866   6.944   1.135
  187    HE1  TYR  27           1HE      TYR  27 -10.687   6.406   5.950
  188    HE2  TYR  27           2HE      TYR  27 -13.638   7.099   2.883
  189    HH   TYR  27           HH       TYR  27 -14.081   7.048   5.058
  190    H    LEU  28           H        LEU  28  -6.152   6.926   2.084
  191    HA   LEU  28           HA       LEU  28  -6.340   8.006   4.781
  192   1HB   LEU  28          1HB       LEU  28  -3.984   6.505   3.768
  193   2HB   LEU  28          2HB       LEU  28  -4.683   6.527   5.375
  194    HG   LEU  28           HG       LEU  28  -6.235   5.329   3.182
  195   1HD1  LEU  28          1HD1      LEU  28  -4.049   4.399   2.755
  196   2HD1  LEU  28          2HD1      LEU  28  -3.893   3.937   4.485
  197   3HD1  LEU  28          3HD1      LEU  28  -5.133   3.144   3.452
  198   1HD2  LEU  28          1HD2      LEU  28  -5.911   4.616   6.088
  199   2HD2  LEU  28          2HD2      LEU  28  -7.279   5.512   5.340
  200   3HD2  LEU  28          3HD2      LEU  28  -6.996   3.788   4.918
  201    H    MET  29           H        MET  29  -4.565   8.479   1.744
  202    HA   MET  29           HA       MET  29  -2.765  10.423   2.777
  203   1HB   MET  29          1HB       MET  29  -3.106   8.990   0.435
  204   2HB   MET  29          2HB       MET  29  -3.339  10.664  -0.028
  205   1HG   MET  29          1HG       MET  29  -1.206  11.222   1.100
  206   2HG   MET  29          2HG       MET  29  -0.965   9.516   1.413
  207   1HE   MET  29          1HE       MET  29  -0.540  12.432  -0.956
  208   2HE   MET  29          2HE       MET  29   0.924  11.684  -0.229
  209   3HE   MET  29          3HE       MET  29   0.690  11.654  -2.011
  210    H    LYS  30           H        LYS  30  -6.066  10.623   2.466
  211    HA   LYS  30           HA       LYS  30  -6.332  13.228   1.384
  212   1HB   LYS  30          1HB       LYS  30  -8.054  11.311   2.828
  213   2HB   LYS  30          2HB       LYS  30  -8.556  12.990   2.804
  214   1HG   LYS  30          1HG       LYS  30  -7.660  12.201   0.183
  215   2HG   LYS  30          2HG       LYS  30  -8.884  11.084   0.752
  216   1HD   LYS  30          1HD       LYS  30 -10.016  12.860  -0.390
  217   2HD   LYS  30          2HD       LYS  30 -10.309  13.073   1.323
  218   1HE   LYS  30          1HE       LYS  30  -9.331  15.098   1.307
  219   2HE   LYS  30          2HE       LYS  30  -7.900  14.459   0.521
  220   1HZ   LYS  30          1HZ       LYS  30  -9.030  14.630  -1.567
  221   2HZ   LYS  30          2HZ       LYS  30 -10.381  15.234  -0.824
  222   3HZ   LYS  30          3HZ       LYS  30  -8.973  16.106  -0.817
  223    H    ASN  31           H        ASN  31  -5.520  12.011   4.531
  224    HA   ASN  31           HA       ASN  31  -5.096  14.785   5.446
  225   1HB   ASN  31          1HB       ASN  31  -6.496  12.532   6.823
  226   2HB   ASN  31          2HB       ASN  31  -5.706  13.792   7.750
  227   1HD2  ASN  31          2HD2      ASN  31  -7.662  14.460   8.669
  228   2HD2  ASN  31          1HD2      ASN  31  -8.851  15.344   7.738
  229    H    LEU  32           H        LEU  32  -3.604  12.104   4.512
  230    HA   LEU  32           HA       LEU  32  -1.554  12.239   6.629
  231   1HB   LEU  32          1HB       LEU  32  -2.157  10.002   4.723
  232   2HB   LEU  32          2HB       LEU  32  -0.891   9.999   5.934
  233    HG   LEU  32           HG       LEU  32  -3.784  10.335   6.634
  234   1HD1  LEU  32          1HD1      LEU  32  -3.592   8.149   5.526
  235   2HD1  LEU  32          2HD1      LEU  32  -2.222   7.731   6.612
  236   3HD1  LEU  32          3HD1      LEU  32  -3.870   7.963   7.292
  237   1HD2  LEU  32          1HD2      LEU  32  -1.382   9.494   8.210
  238   2HD2  LEU  32          2HD2      LEU  32  -2.212  11.087   8.277
  239   3HD2  LEU  32          3HD2      LEU  32  -3.067   9.603   8.828
  240    H    GLY  33           H        GLY  33  -2.271  13.262   3.540
  241   1HA   GLY  33          1HA       GLY  33   0.103  14.510   3.001
  242   2HA   GLY  33          2HA       GLY  33   0.268  12.926   2.271
  243    H    GLU  34           H        GLU  34  -1.545  15.945   2.252
  244    HA   GLU  34           HA       GLU  34  -2.485  15.207  -0.464
  245   1HB   GLU  34          1HB       GLU  34  -4.138  15.522   1.656
  246   2HB   GLU  34          2HB       GLU  34  -4.134  17.142   0.991
  247   1HG   GLU  34          1HG       GLU  34  -4.343  15.372  -1.200
  248   2HG   GLU  34          2HG       GLU  34  -5.474  14.801   0.010
  249    H    ARG  35           H        ARG  35  -0.075  16.669   0.620
  250    HA   ARG  35           HA       ARG  35  -0.524  19.376  -0.363
  251   1HB   ARG  35          1HB       ARG  35   1.295  18.126   1.439
  252   2HB   ARG  35          2HB       ARG  35   2.212  18.905   0.166
  253   1HG   ARG  35          1HG       ARG  35   0.641  20.924   0.578
  254   2HG   ARG  35          2HG       ARG  35   0.274  20.133   2.098
  255   1HD   ARG  35          1HD       ARG  35   2.131  21.010   2.965
  256   2HD   ARG  35          2HD       ARG  35   3.074  20.073   1.823
  257    HE   ARG  35           HE       ARG  35   2.279  22.256   0.365
  258   1HH1  ARG  35          1HH2      ARG  35   4.021  21.878   3.369
  259   2HH1  ARG  35          2HH2      ARG  35   4.906  23.372   3.159
  260   1HH2  ARG  35          1HH1      ARG  35   3.425  24.167   0.139
  261   2HH2  ARG  35          2HH1      ARG  35   4.576  24.641   1.367
  262    H    SER  36           H        SER  36  -0.241  19.976  -2.398
  263    HA   SER  36           HA       SER  36   1.982  19.068  -3.943
  264   1HB   SER  36          1HB       SER  36   0.709  17.956  -5.745
  265   2HB   SER  36          2HB       SER  36   0.680  17.054  -4.244
  266    HG   SER  36           HG       SER  36  -1.390  17.181  -5.229
  267    H    GLN  37           H        GLN  37   2.548  20.797  -5.085
  268    HA   GLN  37           HA       GLN  37   0.393  22.663  -5.889
  269   1HB   GLN  37          1HB       GLN  37   3.276  23.132  -5.213
  270   2HB   GLN  37          2HB       GLN  37   2.285  24.335  -6.014
  271   1HG   GLN  37          1HG       GLN  37   0.878  23.293  -3.741
  272   2HG   GLN  37          2HG       GLN  37   2.469  23.836  -3.247
  273   1HE2  GLN  37          2HE2      GLN  37  -0.309  24.854  -5.257
  274   2HE2  GLN  37          1HE2      GLN  37  -0.198  26.551  -4.849
  275    H    VAL  38           H        VAL  38   0.012  21.183  -7.696
  276    HA   VAL  38           HA       VAL  38   1.568  22.084  -9.989
  277    HB   VAL  38           HB       VAL  38   2.725  20.069  -9.128
  278   1HG1  VAL  38          1HG1      VAL  38   0.815  18.820  -8.266
  279   2HG1  VAL  38          2HG1      VAL  38   0.177  18.645  -9.938
  280   3HG1  VAL  38          3HG1      VAL  38   1.721  17.847  -9.476
  281   1HG2  VAL  38          1HG2      VAL  38   1.479  19.809 -11.878
  282   2HG2  VAL  38          2HG2      VAL  38   2.968  20.728 -11.463
  283   3HG2  VAL  38          3HG2      VAL  38   2.944  18.937 -11.308
  284    H    SER  39           H        SER  39   0.563  21.365 -12.071
  285    HA   SER  39           HA       SER  39  -2.138  22.005 -12.131
  286   1HB   SER  39          1HB       SER  39  -0.357  20.582 -14.058
  287   2HB   SER  39          2HB       SER  39  -2.064  20.780 -14.398
  288    HG   SER  39           HG       SER  39  -0.797  22.518 -15.229
  289    HA   PRO  40           HA       PRO  40  -4.221  18.380 -10.944
  290   1HB   PRO  40          1HB       PRO  40  -6.630  18.740 -12.254
  291   2HB   PRO  40          2HB       PRO  40  -6.202  19.494 -10.732
  292   1HG   PRO  40          1HG       PRO  40  -6.374  20.711 -13.409
  293   2HG   PRO  40          2HG       PRO  40  -6.360  21.499 -11.845
  294   1HD   PRO  40          1HD       PRO  40  -4.199  21.289 -13.679
  295   2HD   PRO  40          2HD       PRO  40  -4.154  21.967 -12.064
  296    H    ARG  41           H        ARG  41  -2.685  17.048 -12.155
  297    HA   ARG  41           HA       ARG  41  -2.718  16.369 -14.801
  298   1HB   ARG  41          1HB       ARG  41  -1.592  15.309 -12.462
  299   2HB   ARG  41          2HB       ARG  41  -2.419  13.971 -13.235
  300   1HG   ARG  41          1HG       ARG  41  -1.259  14.614 -15.371
  301   2HG   ARG  41          2HG       ARG  41  -0.303  15.744 -14.431
  302   1HD   ARG  41          1HD       ARG  41  -0.237  13.280 -13.057
  303   2HD   ARG  41          2HD       ARG  41   0.063  12.924 -14.745
  304    HE   ARG  41           HE       ARG  41   1.600  15.151 -13.652
  305   1HH1  ARG  41          1HH2      ARG  41   1.595  11.719 -14.338
  306   2HH1  ARG  41          2HH2      ARG  41   3.341  11.611 -14.296
  307   1HH2  ARG  41          1HH1      ARG  41   3.821  14.965 -13.605
  308   2HH2  ARG  41          2HH1      ARG  41   4.576  13.413 -13.890
  309    H    MET  42           H        MET  42  -4.296  14.305 -12.380
  310    HA   MET  42           HA       MET  42  -6.667  14.046 -14.059
  311   1HB   MET  42          1HB       MET  42  -5.185  11.565 -13.264
  312   2HB   MET  42          2HB       MET  42  -6.532  11.717 -14.373
  313   1HG   MET  42          1HG       MET  42  -4.916  13.162 -15.773
  314   2HG   MET  42          2HG       MET  42  -3.662  12.420 -14.801
  315   1HE   MET  42          1HE       MET  42  -2.645  11.691 -17.172
  316   2HE   MET  42          2HE       MET  42  -2.358  10.640 -15.742
  317   3HE   MET  42          3HE       MET  42  -2.774   9.905 -17.329
  318    H    ARG  43           H        ARG  43  -8.474  13.531 -12.935
  319    HA   ARG  43           HA       ARG  43  -8.168  13.430 -10.019
  320   1HB   ARG  43          1HB       ARG  43 -10.543  13.864 -11.813
  321   2HB   ARG  43          2HB       ARG  43 -10.663  13.742 -10.070
  322   1HG   ARG  43          1HG       ARG  43 -10.434  16.014 -10.251
  323   2HG   ARG  43          2HG       ARG  43  -8.740  15.572 -10.186
  324   1HD   ARG  43          1HD       ARG  43  -8.688  16.914 -12.048
  325   2HD   ARG  43          2HD       ARG  43  -9.072  15.389 -12.821
  326    HE   ARG  43           HE       ARG  43 -11.090  16.270 -13.462
  327   1HH1  ARG  43          1HH2      ARG  43  -9.937  18.103 -10.706
  328   2HH1  ARG  43          2HH2      ARG  43 -11.289  19.212 -10.751
  329   1HH2  ARG  43          1HH1      ARG  43 -12.817  17.716 -13.461
  330   2HH2  ARG  43          2HH1      ARG  43 -12.877  18.998 -12.271
  331    H    GLU  44           H        GLU  44  -9.611  11.987  -8.781
  332    HA   GLU  44           HA       GLU  44 -10.126   9.437 -10.194
  333   1HB   GLU  44          1HB       GLU  44  -8.654   9.882  -7.621
  334   2HB   GLU  44          2HB       GLU  44  -9.426   8.349  -7.976
  335   1HG   GLU  44          1HG       GLU  44  -8.051   7.985  -9.882
  336   2HG   GLU  44          2HG       GLU  44  -7.496   9.647  -9.890
  337    H    GLU  45           H        GLU  45 -11.791   8.138  -9.354
  338    HA   GLU  45           HA       GLU  45 -13.890   9.701  -8.083
  339   1HB   GLU  45          1HB       GLU  45 -13.730   7.319  -9.723
  340   2HB   GLU  45          2HB       GLU  45 -14.828   7.115  -8.372
  341   1HG   GLU  45          1HG       GLU  45 -16.325   8.604  -9.203
  342   2HG   GLU  45          2HG       GLU  45 -15.074   9.694  -9.767
  343    H    ASP  46           H        ASP  46 -15.168   8.881  -6.294
  344    HA   ASP  46           HA       ASP  46 -13.811   8.430  -3.977
  345   1HB   ASP  46          1HB       ASP  46 -15.805   7.934  -2.954
  346   2HB   ASP  46          2HB       ASP  46 -16.320   8.819  -4.376
  347    H    HIS  47           H        HIS  47 -12.835   6.831  -2.856
  348    HA   HIS  47           HA       HIS  47 -12.561   4.282  -4.295
  349   1HB   HIS  47          1HB       HIS  47 -11.221   5.281  -1.800
  350   2HB   HIS  47          2HB       HIS  47 -10.797   3.827  -2.680
  351    HD1  HIS  47           1HD      HIS  47 -10.852   4.938  -5.621
  352    HD2  HIS  47           2HD      HIS  47  -9.229   6.944  -2.291
  353    HE1  HIS  47           1HE      HIS  47  -8.999   6.475  -6.541
  354    HE2  HIS  47           2HE      HIS  47  -7.990   7.672  -4.506
  355    H    LYS  48           H        LYS  48 -12.315   2.381  -2.474
  356    HA   LYS  48           HA       LYS  48 -13.830   2.173  -0.234
  357   1HB   LYS  48          1HB       LYS  48 -15.586   2.381  -2.556
  358   2HB   LYS  48          2HB       LYS  48 -15.887   0.945  -1.599
  359   1HG   LYS  48          1HG       LYS  48 -15.521   3.560  -0.197
  360   2HG   LYS  48          2HG       LYS  48 -17.057   3.226  -0.970
  361   1HD   LYS  48          1HD       LYS  48 -15.949   1.068   0.714
  362   2HD   LYS  48          2HD       LYS  48 -16.510   2.498   1.557
  363   1HE   LYS  48          1HE       LYS  48 -18.600   1.697   1.365
  364   2HE   LYS  48          2HE       LYS  48 -18.477   1.965  -0.363
  365   1HZ   LYS  48          1HZ       LYS  48 -17.578  -0.228  -0.588
  366   2HZ   LYS  48          2HZ       LYS  48 -17.695  -0.480   1.045
  367   3HZ   LYS  48          3HZ       LYS  48 -19.066  -0.285   0.137
  368    H    GLN  49           H        GLN  49 -14.412   0.185  -3.091
  369    HA   GLN  49           HA       GLN  49 -12.733  -1.931  -1.886
  370   1HB   GLN  49          1HB       GLN  49 -15.460  -1.972  -2.762
  371   2HB   GLN  49          2HB       GLN  49 -14.512  -3.091  -3.722
  372   1HG   GLN  49          1HG       GLN  49 -13.608  -4.068  -1.628
  373   2HG   GLN  49          2HG       GLN  49 -14.646  -2.998  -0.708
  374   1HE2  GLN  49          2HE2      GLN  49 -14.373  -6.085  -1.754
  375   2HE2  GLN  49          1HE2      GLN  49 -16.063  -6.518  -1.884
  376    H    LEU  50           H        LEU  50 -12.573   0.367  -4.149
  377    HA   LEU  50           HA       LEU  50 -11.758  -1.048  -6.462
  378   1HB   LEU  50          1HB       LEU  50 -11.499   1.705  -5.395
  379   2HB   LEU  50          2HB       LEU  50 -10.426   1.239  -6.700
  380    HG   LEU  50           HG       LEU  50 -13.414   0.929  -6.847
  381   1HD1  LEU  50          1HD1      LEU  50 -12.888   3.298  -6.499
  382   2HD1  LEU  50          2HD1      LEU  50 -11.691   3.226  -7.839
  383   3HD1  LEU  50          3HD1      LEU  50 -13.442   3.012  -8.185
  384   1HD2  LEU  50          1HD2      LEU  50 -11.264   0.951  -8.994
  385   2HD2  LEU  50          2HD2      LEU  50 -12.145  -0.498  -8.396
  386   3HD2  LEU  50          3HD2      LEU  50 -13.031   0.790  -9.283
  387    H    CYS  51           H        CYS  51 -10.243  -0.608  -3.382
  388    HA   CYS  51           HA       CYS  51  -7.610  -1.254  -4.392
  389   1HB   CYS  51          1HB       CYS  51  -6.930  -1.126  -2.116
  390   2HB   CYS  51          2HB       CYS  51  -7.950   0.247  -2.494
  391    H    CYS  52           H        CYS  52 -10.165  -2.871  -2.470
  392    HA   CYS  52           HA       CYS  52  -8.849  -5.357  -2.291
  393   1HB   CYS  52          1HB       CYS  52 -10.995  -4.369  -1.144
  394   2HB   CYS  52          2HB       CYS  52 -11.794  -5.251  -2.430
  395    H    MET  53           H        MET  53 -10.072  -3.786  -5.005
  396    HA   MET  53           HA       MET  53 -10.941  -6.028  -6.530
  397   1HB   MET  53          1HB       MET  53 -11.355  -3.422  -6.767
  398   2HB   MET  53          2HB       MET  53  -9.934  -3.528  -7.790
  399   1HG   MET  53          1HG       MET  53 -11.408  -5.658  -8.648
  400   2HG   MET  53          2HG       MET  53 -12.656  -4.491  -8.259
  401   1HE   MET  53          1HE       MET  53  -8.987  -4.355  -9.687
  402   2HE   MET  53          2HE       MET  53  -9.879  -5.626 -10.594
  403   3HE   MET  53          3HE       MET  53  -9.348  -4.127 -11.433
  404    H    GLN  54           H        GLN  54  -8.152  -3.852  -7.099
  405    HA   GLN  54           HA       GLN  54  -6.818  -5.810  -8.691
  406   1HB   GLN  54          1HB       GLN  54  -5.983  -3.199  -7.495
  407   2HB   GLN  54          2HB       GLN  54  -4.865  -4.206  -8.391
  408   1HG   GLN  54          1HG       GLN  54  -5.612  -3.334 -10.278
  409   2HG   GLN  54          2HG       GLN  54  -7.202  -3.989  -9.938
  410   1HE2  GLN  54          2HE2      GLN  54  -5.912  -1.281 -10.974
  411   2HE2  GLN  54          1HE2      GLN  54  -6.918  -0.099 -10.165
  412    H    LEU  55           H        LEU  55  -7.007  -5.252  -5.284
  413    HA   LEU  55           HA       LEU  55  -4.511  -6.334  -4.518
  414   1HB   LEU  55          1HB       LEU  55  -7.123  -5.796  -3.272
  415   2HB   LEU  55          2HB       LEU  55  -6.075  -6.939  -2.457
  416    HG   LEU  55           HG       LEU  55  -5.050  -4.262  -3.230
  417   1HD1  LEU  55          1HD1      LEU  55  -7.094  -3.723  -2.021
  418   2HD1  LEU  55          2HD1      LEU  55  -6.593  -4.815  -0.684
  419   3HD1  LEU  55          3HD1      LEU  55  -5.645  -3.328  -1.034
  420   1HD2  LEU  55          1HD2      LEU  55  -4.351  -6.185  -0.997
  421   2HD2  LEU  55          2HD2      LEU  55  -3.421  -5.914  -2.511
  422   3HD2  LEU  55          3HD2      LEU  55  -3.557  -4.600  -1.292
  423    H    LYS  56           H        LYS  56  -7.656  -7.784  -5.307
  424    HA   LYS  56           HA       LYS  56  -6.760 -10.459  -4.738
  425   1HB   LYS  56          1HB       LYS  56  -9.098  -9.880  -4.615
  426   2HB   LYS  56          2HB       LYS  56  -9.101  -9.414  -6.304
  427   1HG   LYS  56          1HG       LYS  56  -9.351 -11.540  -6.992
  428   2HG   LYS  56          2HG       LYS  56  -8.103 -12.118  -5.905
  429   1HD   LYS  56          1HD       LYS  56  -9.674 -12.206  -4.075
  430   2HD   LYS  56          2HD       LYS  56 -10.923 -11.483  -5.068
  431   1HE   LYS  56          1HE       LYS  56 -11.203 -13.411  -6.349
  432   2HE   LYS  56          2HE       LYS  56  -9.605 -14.016  -5.966
  433   1HZ   LYS  56          1HZ       LYS  56 -10.345 -14.420  -3.737
  434   2HZ   LYS  56          2HZ       LYS  56 -11.856 -13.848  -4.099
  435   3HZ   LYS  56          3HZ       LYS  56 -11.300 -15.233  -4.818
  436    H    ASN  57           H        ASN  57  -6.510  -8.323  -7.493
  437    HA   ASN  57           HA       ASN  57  -5.926 -10.254  -9.463
  438   1HB   ASN  57          1HB       ASN  57  -5.767  -7.416  -9.191
  439   2HB   ASN  57          2HB       ASN  57  -4.276  -8.006  -9.896
  440   1HD2  ASN  57          2HD2      ASN  57  -6.245  -6.317 -11.119
  441   2HD2  ASN  57          1HD2      ASN  57  -6.886  -7.194 -12.491
  442    H    LEU  58           H        LEU  58  -4.022  -9.064  -6.795
  443    HA   LEU  58           HA       LEU  58  -1.552 -10.150  -7.805
  444   1HB   LEU  58          1HB       LEU  58  -2.455  -8.637  -5.442
  445   2HB   LEU  58          2HB       LEU  58  -1.032  -9.639  -5.233
  446    HG   LEU  58           HG       LEU  58  -1.376  -7.495  -7.320
  447   1HD1  LEU  58          1HD1      LEU  58  -1.161  -6.613  -5.037
  448   2HD1  LEU  58          2HD1      LEU  58   0.304  -7.628  -4.793
  449   3HD1  LEU  58          3HD1      LEU  58   0.327  -6.288  -5.993
  450   1HD2  LEU  58          1HD2      LEU  58   1.056  -9.174  -6.612
  451   2HD2  LEU  58          2HD2      LEU  58   0.082  -9.329  -8.114
  452   3HD2  LEU  58          3HD2      LEU  58   1.016  -7.826  -7.801
  453    H    ASP  59           H        ASP  59  -0.342 -11.455  -5.863
  454    HA   ASP  59           HA       ASP  59  -1.907 -13.942  -5.646
  455   1HB   ASP  59          1HB       ASP  59   0.864 -13.239  -6.014
  456   2HB   ASP  59          2HB       ASP  59   0.673 -14.314  -4.642
  457    H    GLU  60           H        GLU  60  -1.940 -15.148  -3.643
  458    HA   GLU  60           HA       GLU  60  -2.539 -13.578  -1.369
  459   1HB   GLU  60          1HB       GLU  60  -3.067 -16.100  -2.037
  460   2HB   GLU  60          2HB       GLU  60  -1.695 -16.391  -0.987
  461   1HG   GLU  60          1HG       GLU  60  -2.785 -15.180   0.825
  462   2HG   GLU  60          2HG       GLU  60  -4.131 -14.780  -0.223
  463    H    LYS  61           H        LYS  61   0.406 -15.199  -2.398
  464    HA   LYS  61           HA       LYS  61   1.828 -14.562   0.021
  465   1HB   LYS  61          1HB       LYS  61   2.762 -15.478  -2.691
  466   2HB   LYS  61          2HB       LYS  61   3.823 -15.250  -1.316
  467   1HG   LYS  61          1HG       LYS  61   3.219 -17.237  -0.454
  468   2HG   LYS  61          2HG       LYS  61   1.525 -16.795  -0.528
  469   1HD   LYS  61          1HD       LYS  61   1.823 -17.335  -3.092
  470   2HD   LYS  61          2HD       LYS  61   3.175 -18.292  -2.517
  471   1HE   LYS  61          1HE       LYS  61   0.392 -18.546  -1.386
  472   2HE   LYS  61          2HE       LYS  61   0.974 -19.532  -2.713
  473   1HZ   LYS  61          1HZ       LYS  61   2.722 -20.317  -1.300
  474   2HZ   LYS  61          2HZ       LYS  61   2.173 -19.385  -0.047
  475   3HZ   LYS  61          3HZ       LYS  61   1.245 -20.631  -0.622
  476    H    CYS  62           H        CYS  62   1.227 -12.888  -3.030
  477    HA   CYS  62           HA       CYS  62   3.095 -10.776  -2.344
  478   1HB   CYS  62          1HB       CYS  62   1.038 -10.901  -4.500
  479   2HB   CYS  62          2HB       CYS  62   2.403  -9.806  -4.395
  480    H    MET  63           H        MET  63   0.488 -11.556  -0.780
  481    HA   MET  63           HA       MET  63  -0.640  -8.837  -0.700
  482   1HB   MET  63          1HB       MET  63  -1.842 -11.532  -0.508
  483   2HB   MET  63          2HB       MET  63  -2.572 -10.218   0.393
  484   1HG   MET  63          1HG       MET  63  -3.388  -9.234  -1.445
  485   2HG   MET  63          2HG       MET  63  -1.984  -9.637  -2.412
  486   1HE   MET  63          1HE       MET  63  -3.741 -12.407  -0.372
  487   2HE   MET  63          2HE       MET  63  -5.117 -11.277  -0.624
  488   3HE   MET  63          3HE       MET  63  -5.112 -12.882  -1.434
  489    H    CYS  64           H        CYS  64   1.571  -8.879   0.689
  490    HA   CYS  64           HA       CYS  64   0.911  -8.411   3.339
  491   1HB   CYS  64          1HB       CYS  64   0.620 -10.493   4.168
  492   2HB   CYS  64          2HB       CYS  64   1.463 -11.250   2.831
  493    HA   PRO  65           HA       PRO  65   5.579  -8.548   2.784
  494   1HB   PRO  65          1HB       PRO  65   6.664  -9.861   0.616
  495   2HB   PRO  65          2HB       PRO  65   6.488 -10.559   2.214
  496   1HG   PRO  65          1HG       PRO  65   4.962 -11.121  -0.218
  497   2HG   PRO  65          2HG       PRO  65   5.074 -12.063   1.256
  498   1HD   PRO  65          1HD       PRO  65   2.940 -10.379   0.443
  499   2HD   PRO  65          2HD       PRO  65   3.095 -11.247   1.958
  500    H    ALA  66           H        ALA  66   3.828  -8.581  -0.299
  501    HA   ALA  66           HA       ALA  66   5.463  -6.630  -1.556
  502   1HB   ALA  66          1HB       ALA  66   4.042  -8.188  -2.792
  503   2HB   ALA  66          2HB       ALA  66   2.590  -7.455  -2.027
  504   3HB   ALA  66          3HB       ALA  66   3.600  -6.484  -3.153
  505    H    ILE  67           H        ILE  67   2.340  -6.442   0.205
  506    HA   ILE  67           HA       ILE  67   1.634  -3.857  -0.002
  507    HB   ILE  67           HB       ILE  67   1.740  -5.631   2.377
  508   1HG1  ILE  67          1HG1      ILE  67  -0.158  -4.953   0.275
  509   2HG1  ILE  67          2HG1      ILE  67  -0.016  -6.409   1.239
  510   1HG2  ILE  67          1HG2      ILE  67   2.067  -3.398   3.300
  511   2HG2  ILE  67          2HG2      ILE  67   0.656  -2.796   2.362
  512   3HG2  ILE  67          3HG2      ILE  67   0.415  -3.996   3.680
  513   1HD1  ILE  67          1HD1      ILE  67  -1.154  -5.303   3.123
  514   2HD1  ILE  67          2HD1      ILE  67  -1.299  -3.808   2.135
  515   3HD1  ILE  67          3HD1      ILE  67  -2.172  -5.300   1.642
  516    H    MET  68           H        MET  68   4.298  -4.979   2.104
  517    HA   MET  68           HA       MET  68   5.191  -2.641   3.161
  518   1HB   MET  68          1HB       MET  68   6.854  -4.802   1.920
  519   2HB   MET  68          2HB       MET  68   7.458  -3.564   3.003
  520   1HG   MET  68          1HG       MET  68   6.504  -4.500   4.828
  521   2HG   MET  68          2HG       MET  68   5.126  -5.103   3.929
  522   1HE   MET  68          1HE       MET  68   6.926  -6.578   6.274
  523   2HE   MET  68          2HE       MET  68   5.401  -7.255   5.605
  524   3HE   MET  68          3HE       MET  68   6.894  -8.257   5.631
  525    H    MET  69           H        MET  69   6.508  -3.841   0.048
  526    HA   MET  69           HA       MET  69   7.682  -1.468  -0.778
  527   1HB   MET  69          1HB       MET  69   6.594  -3.854  -2.195
  528   2HB   MET  69          2HB       MET  69   7.216  -2.490  -3.102
  529   1HG   MET  69          1HG       MET  69   8.749  -3.955  -0.974
  530   2HG   MET  69          2HG       MET  69   8.907  -4.257  -2.693
  531   1HE   MET  69          1HE       MET  69  11.138  -3.374  -0.457
  532   2HE   MET  69          2HE       MET  69  11.530  -3.879  -2.138
  533   3HE   MET  69          3HE       MET  69  12.175  -2.331  -1.490
  534    H    MET  70           H        MET  70   4.290  -2.499  -1.195
  535    HA   MET  70           HA       MET  70   3.493  -0.615  -3.066
  536   1HB   MET  70          1HB       MET  70   1.647  -1.730  -2.598
  537   2HB   MET  70          2HB       MET  70   2.289  -2.251  -1.054
  538   1HG   MET  70          1HG       MET  70   1.600   0.282  -0.470
  539   2HG   MET  70          2HG       MET  70   0.401  -0.105  -1.687
  540   1HE   MET  70          1HE       MET  70  -0.008   0.696   1.467
  541   2HE   MET  70          2HE       MET  70  -1.354   0.523   0.287
  542   3HE   MET  70          3HE       MET  70  -1.398  -0.381   1.841
  543    H    LEU  71           H        LEU  71   4.134  -0.167   0.379
  544    HA   LEU  71           HA       LEU  71   3.294   2.628   0.222
  545   1HB   LEU  71          1HB       LEU  71   4.255   1.037   2.581
  546   2HB   LEU  71          2HB       LEU  71   3.606   2.663   2.628
  547    HG   LEU  71           HG       LEU  71   1.671   1.139   1.342
  548   1HD1  LEU  71          1HD1      LEU  71   2.769  -0.911   2.105
  549   2HD1  LEU  71          2HD1      LEU  71   2.728  -0.298   3.795
  550   3HD1  LEU  71          3HD1      LEU  71   1.193  -0.679   2.939
  551   1HD2  LEU  71          1HD2      LEU  71   1.789   2.010   4.239
  552   2HD2  LEU  71          2HD2      LEU  71   1.218   3.008   2.857
  553   3HD2  LEU  71          3HD2      LEU  71   0.306   1.536   3.341
  554    H    ASN  72           H        ASN  72   5.765   1.287  -0.989
  555    HA   ASN  72           HA       ASN  72   7.786   3.179   0.015
  556   1HB   ASN  72          1HB       ASN  72   8.109   0.524  -1.366
  557   2HB   ASN  72          2HB       ASN  72   9.426   1.615  -0.987
  558   1HD2  ASN  72          2HD2      ASN  72  10.381  -0.141   0.209
  559   2HD2  ASN  72          1HD2      ASN  72   9.844  -0.414   1.851
  560    H    GLU  73           H        GLU  73   5.662   2.477  -2.493
  561    HA   GLU  73           HA       GLU  73   7.135   3.085  -4.772
  562   1HB   GLU  73          1HB       GLU  73   4.401   2.691  -4.080
  563   2HB   GLU  73          2HB       GLU  73   4.516   4.120  -5.089
  564   1HG   GLU  73          1HG       GLU  73   6.173   2.444  -6.436
  565   2HG   GLU  73          2HG       GLU  73   5.039   1.288  -5.768
  566    HA   PRO  74           HA       PRO  74   7.675   7.429  -4.809
  567   1HB   PRO  74          1HB       PRO  74   6.715   8.275  -7.237
  568   2HB   PRO  74          2HB       PRO  74   8.268   7.502  -6.991
  569   1HG   PRO  74          1HG       PRO  74   5.825   6.396  -8.211
  570   2HG   PRO  74          2HG       PRO  74   7.479   5.836  -8.358
  571   1HD   PRO  74          1HD       PRO  74   5.447   4.776  -6.703
  572   2HD   PRO  74          2HD       PRO  74   7.129   4.291  -6.768
  573    H    MET  75           H        MET  75   5.218   6.527  -3.552
  574    HA   MET  75           HA       MET  75   3.871   9.075  -3.462
  575   1HB   MET  75          1HB       MET  75   2.854   7.393  -5.263
  576   2HB   MET  75          2HB       MET  75   2.073   6.745  -3.835
  577   1HG   MET  75          1HG       MET  75   0.540   8.367  -4.117
  578   2HG   MET  75          2HG       MET  75   1.769   9.470  -3.532
  579   1HE   MET  75          1HE       MET  75   0.887  11.565  -4.720
  580   2HE   MET  75          2HE       MET  75   2.675  11.382  -4.792
  581   3HE   MET  75          3HE       MET  75   1.769  11.947  -6.239
  582    H    TRP  76           H        TRP  76   5.469   7.078  -1.753
  583    HA   TRP  76           HA       TRP  76   3.833   7.338   0.601
  584   1HB   TRP  76          1HB       TRP  76   4.572   4.627  -0.408
  585   2HB   TRP  76          2HB       TRP  76   3.868   4.977   1.157
  586    HD1  TRP  76           HD       TRP  76   2.964   3.861  -2.188
  587    HE1  TRP  76           1HE      TRP  76   0.412   4.093  -2.602
  588    HE3  TRP  76           3HE      TRP  76   1.803   6.869   1.722
  589    HZ2  TRP  76           2HZ      TRP  76  -1.794   5.484  -1.445
  590    HZ3  TRP  76           3HZ      TRP  76  -0.521   7.677   2.064
  591    HH2  TRP  76           HH       TRP  76  -2.306   6.961   0.497
  592    H    ILE  77           H        ILE  77   5.422   8.671   1.392
  593    HA   ILE  77           HA       ILE  77   8.097   7.439   1.617
  594    HB   ILE  77           HB       ILE  77   7.604  10.369   1.734
  595   1HG1  ILE  77          1HG1      ILE  77   6.870   9.930  -0.416
  596   2HG1  ILE  77          2HG1      ILE  77   8.552  10.378  -0.615
  597   1HG2  ILE  77          1HG2      ILE  77   9.684   9.626   2.759
  598   2HG2  ILE  77          2HG2      ILE  77  10.106   8.717   1.267
  599   3HG2  ILE  77          3HG2      ILE  77  10.028  10.512   1.233
  600   1HD1  ILE  77          1HD1      ILE  77   9.195   7.992  -0.745
  601   2HD1  ILE  77          2HD1      ILE  77   7.470   7.532  -0.541
  602   3HD1  ILE  77          3HD1      ILE  77   7.995   8.419  -2.013
  603    H    ARG  78           H        ARG  78   8.175  10.125   3.510
  604    HA   ARG  78           HA       ARG  78   7.900   8.578   5.915
  605   1HB   ARG  78          1HB       ARG  78   8.269  11.539   5.688
  606   2HB   ARG  78          2HB       ARG  78   8.712  10.495   7.024
  607   1HG   ARG  78          1HG       ARG  78   9.955  10.470   4.278
  608   2HG   ARG  78          2HG       ARG  78  10.686  11.125   5.728
  609   1HD   ARG  78          1HD       ARG  78   9.850   8.241   5.501
  610   2HD   ARG  78          2HD       ARG  78  11.452   8.797   5.057
  611    HE   ARG  78           HE       ARG  78  10.395   8.454   7.734
  612   1HH1  ARG  78          1HH2      ARG  78  12.799  10.124   5.812
  613   2HH1  ARG  78          2HH2      ARG  78  13.822  10.454   7.192
  614   1HH2  ARG  78          1HH1      ARG  78  11.732   8.928   9.481
  615   2HH2  ARG  78          2HH1      ARG  78  13.230   9.792   9.222
  616    H    MET  79           H        MET  79   5.531   9.249   4.107
  617    HA   MET  79           HA       MET  79   3.776  10.578   6.072
  618   1HB   MET  79          1HB       MET  79   2.298  10.526   3.863
  619   2HB   MET  79          2HB       MET  79   3.448  11.808   4.184
  620   1HG   MET  79          1HG       MET  79   5.065  10.839   2.730
  621   2HG   MET  79          2HG       MET  79   4.147   9.353   2.596
  622   1HE   MET  79          1HE       MET  79   3.478   8.872   0.381
  623   2HE   MET  79          2HE       MET  79   1.979   9.039   1.358
  624   3HE   MET  79          3HE       MET  79   2.045   9.709  -0.308
  625    H    ARG  80           H        ARG  80   4.337   7.732   4.124
  626    HA   ARG  80           HA       ARG  80   1.882   6.462   4.645
  627   1HB   ARG  80          1HB       ARG  80   3.142   4.319   4.313
  628   2HB   ARG  80          2HB       ARG  80   3.204   5.450   2.976
  629   1HG   ARG  80          1HG       ARG  80   5.399   5.699   3.154
  630   2HG   ARG  80          2HG       ARG  80   5.308   5.913   4.891
  631   1HD   ARG  80          1HD       ARG  80   5.303   3.530   5.206
  632   2HD   ARG  80          2HD       ARG  80   5.328   3.286   3.470
  633    HE   ARG  80           HE       ARG  80   7.534   4.897   4.118
  634   1HH1  ARG  80          1HH2      ARG  80   6.429   1.647   4.802
  635   2HH1  ARG  80          2HH2      ARG  80   8.057   1.022   4.949
  636   1HH2  ARG  80          1HH1      ARG  80   9.597   4.038   4.297
  637   2HH2  ARG  80          2HH1      ARG  80   9.806   2.343   4.670
  638    H    ASP  81           H        ASP  81   4.666   6.904   6.718
  639    HA   ASP  81           HA       ASP  81   4.533   4.873   8.524
  640   1HB   ASP  81          1HB       ASP  81   5.654   7.313   8.457
  641   2HB   ASP  81          2HB       ASP  81   4.430   7.578   9.683
  642    H    GLN  82           H        GLN  82   2.179   7.484   8.167
  643    HA   GLN  82           HA       GLN  82   0.529   6.467  10.302
  644   1HB   GLN  82          1HB       GLN  82   0.928   8.896   9.312
  645   2HB   GLN  82          2HB       GLN  82  -0.478   8.437   8.374
  646   1HG   GLN  82          1HG       GLN  82  -1.788   8.068  10.317
  647   2HG   GLN  82          2HG       GLN  82  -0.379   8.059  11.358
  648   1HE2  GLN  82          2HE2      GLN  82   0.978  10.323  10.635
  649   2HE2  GLN  82          1HE2      GLN  82  -0.003  11.737  10.950
  650    H    VAL  83           H        VAL  83   0.288   6.632   6.757
  651    HA   VAL  83           HA       VAL  83  -2.214   5.357   6.550
  652    HB   VAL  83           HB       VAL  83  -1.926   5.370   4.287
  653   1HG1  VAL  83          1HG1      VAL  83  -1.733   7.673   5.078
  654   2HG1  VAL  83          2HG1      VAL  83   0.049   7.475   5.214
  655   3HG1  VAL  83          3HG1      VAL  83  -0.742   7.418   3.600
  656   1HG2  VAL  83          1HG2      VAL  83   1.062   5.177   4.650
  657   2HG2  VAL  83          2HG2      VAL  83  -0.043   3.855   4.134
  658   3HG2  VAL  83          3HG2      VAL  83   0.196   5.289   3.078
  659    H    MET  84           H        MET  84   0.797   4.114   7.445
  660    HA   MET  84           HA       MET  84   0.698   1.503   6.396
  661   1HB   MET  84          1HB       MET  84   2.449   3.097   8.011
  662   2HB   MET  84          2HB       MET  84   2.149   1.576   8.827
  663   1HG   MET  84          1HG       MET  84   2.580   0.612   6.398
  664   2HG   MET  84          2HG       MET  84   3.496   2.097   6.238
  665   1HE   MET  84          1HE       MET  84   5.831   2.343   6.813
  666   2HE   MET  84          2HE       MET  84   5.112   2.892   8.367
  667   3HE   MET  84          3HE       MET  84   6.525   1.780   8.373
  668    H    SER  85           H        SER  85   0.068   2.902   9.646
  669    HA   SER  85           HA       SER  85  -1.058   0.522  10.702
  670   1HB   SER  85          1HB       SER  85  -0.237   2.593  11.963
  671   2HB   SER  85          2HB       SER  85  -1.798   3.292  11.583
  672    HG   SER  85           HG       SER  85  -1.800   2.201  13.620
  673    H    MET  86           H        MET  86  -2.263   2.583   8.313
  674    HA   MET  86           HA       MET  86  -5.060   1.976   8.921
  675   1HB   MET  86          1HB       MET  86  -3.622   3.847   7.107
  676   2HB   MET  86          2HB       MET  86  -5.312   3.471   6.846
  677   1HG   MET  86          1HG       MET  86  -4.143   4.608   9.374
  678   2HG   MET  86          2HG       MET  86  -5.047   5.508   8.171
  679   1HE   MET  86          1HE       MET  86  -5.575   5.116  11.402
  680   2HE   MET  86          2HE       MET  86  -6.473   6.279  10.367
  681   3HE   MET  86          3HE       MET  86  -7.372   5.112  11.396
  682    H    ALA  87           H        ALA  87  -2.586   1.437   6.473
  683    HA   ALA  87           HA       ALA  87  -4.315  -0.291   4.919
  684   1HB   ALA  87          1HB       ALA  87  -2.896   1.301   3.726
  685   2HB   ALA  87          2HB       ALA  87  -1.441   0.597   4.515
  686   3HB   ALA  87          3HB       ALA  87  -2.401  -0.388   3.355
  687    H    HIS  88           H        HIS  88  -3.453  -0.929   7.738
  688    HA   HIS  88           HA       HIS  88  -1.989  -3.417   7.167
  689   1HB   HIS  88          1HB       HIS  88  -1.141  -3.354   9.262
  690   2HB   HIS  88          2HB       HIS  88  -1.299  -1.640   8.935
  691    HD1  HIS  88           1HD      HIS  88  -1.555  -3.585  11.750
  692    HD2  HIS  88           2HD      HIS  88  -4.320  -1.104   9.751
  693    HE1  HIS  88           1HE      HIS  88  -3.286  -2.849  13.510
  694    HE2  HIS  88           2HE      HIS  88  -4.909  -1.251  12.318
  695    H    ASN  89           H        ASN  89  -4.984  -2.068   8.347
  696    HA   ASN  89           HA       ASN  89  -6.061  -4.761   8.835
  697   1HB   ASN  89          1HB       ASN  89  -6.723  -2.037   9.806
  698   2HB   ASN  89          2HB       ASN  89  -8.039  -3.178   9.617
  699   1HD2  ASN  89          2HD2      ASN  89  -4.731  -4.101  10.377
  700   2HD2  ASN  89          1HD2      ASN  89  -5.034  -4.595  12.027
  701    H    LEU  90           H        LEU  90  -6.239  -1.977   6.723
  702    HA   LEU  90           HA       LEU  90  -8.667  -2.534   5.452
  703   1HB   LEU  90          1HB       LEU  90  -6.157  -1.128   4.723
  704   2HB   LEU  90          2HB       LEU  90  -7.311  -1.478   3.452
  705    HG   LEU  90           HG       LEU  90  -8.129  -0.102   5.982
  706   1HD1  LEU  90          1HD1      LEU  90  -6.303   1.220   4.978
  707   2HD1  LEU  90          2HD1      LEU  90  -7.159   1.177   3.398
  708   3HD1  LEU  90          3HD1      LEU  90  -7.885   2.053   4.789
  709   1HD2  LEU  90          1HD2      LEU  90  -9.280  -0.163   3.171
  710   2HD2  LEU  90          2HD2      LEU  90  -9.915  -1.071   4.588
  711   3HD2  LEU  90          3HD2      LEU  90  -9.976   0.725   4.570
  712    HA   PRO  91           HA       PRO  91  -6.356  -5.431   2.530
  713   1HB   PRO  91          1HB       PRO  91  -3.844  -6.310   3.210
  714   2HB   PRO  91          2HB       PRO  91  -4.175  -5.001   2.094
  715   1HG   PRO  91          1HG       PRO  91  -3.157  -4.878   4.832
  716   2HG   PRO  91          2HG       PRO  91  -3.105  -3.655   3.578
  717   1HD   PRO  91          1HD       PRO  91  -4.862  -3.787   5.782
  718   2HD   PRO  91          2HD       PRO  91  -4.870  -2.620   4.475
  719    H    ILE  92           H        ILE  92  -5.568  -5.860   5.965
  720    HA   ILE  92           HA       ILE  92  -5.780  -8.689   5.954
  721    HB   ILE  92           HB       ILE  92  -5.872  -6.530   7.966
  722   1HG1  ILE  92          1HG1      ILE  92  -4.068  -8.656   7.103
  723   2HG1  ILE  92          2HG1      ILE  92  -3.721  -7.035   7.670
  724   1HG2  ILE  92          1HG2      ILE  92  -7.662  -7.989   8.735
  725   2HG2  ILE  92          2HG2      ILE  92  -6.568  -9.409   8.596
  726   3HG2  ILE  92          3HG2      ILE  92  -6.226  -8.125   9.808
  727   1HD1  ILE  92          1HD1      ILE  92  -4.062  -7.751   9.995
  728   2HD1  ILE  92          2HD1      ILE  92  -4.417  -9.415   9.413
  729   3HD1  ILE  92          3HD1      ILE  92  -2.778  -8.713   9.182
  730    H    GLU  93           H        GLU  93  -8.181  -6.121   6.575
  731    HA   GLU  93           HA       GLU  93 -10.329  -7.852   7.218
  732   1HB   GLU  93          1HB       GLU  93 -10.062  -5.027   6.352
  733   2HB   GLU  93          2HB       GLU  93 -11.641  -5.770   6.197
  734   1HG   GLU  93          1HG       GLU  93 -10.567  -6.438   8.762
  735   2HG   GLU  93          2HG       GLU  93 -10.443  -4.705   8.537
  736    H    CYS  94           H        CYS  94  -8.810  -7.121   4.199
  737    HA   CYS  94           HA       CYS  94 -11.010  -8.281   2.695
  738   1HB   CYS  94          1HB       CYS  94  -8.500  -6.872   2.100
  739   2HB   CYS  94          2HB       CYS  94  -9.088  -8.005   0.901
  740    H    ASN  95           H        ASN  95  -8.342  -9.443   4.396
  741    HA   ASN  95           HA       ASN  95  -7.633 -11.556   4.753
  742   1HB   ASN  95          1HB       ASN  95  -9.891 -12.169   3.560
  743   2HB   ASN  95          2HB       ASN  95  -8.834 -12.581   2.224
  744   1HD2  ASN  95          2HD2      ASN  95  -6.686 -13.775   3.280
  745   2HD2  ASN  95          1HD2      ASN  95  -7.144 -15.169   4.230
  746    H    LEU  96           H        LEU  96  -6.482  -9.364   3.012
  747    HA   LEU  96           HA       LEU  96  -5.050 -10.762   0.947
  748   1HB   LEU  96          1HB       LEU  96  -4.542  -7.984   1.919
  749   2HB   LEU  96          2HB       LEU  96  -4.149  -8.672   0.356
  750    HG   LEU  96           HG       LEU  96  -6.972  -8.419   1.299
  751   1HD1  LEU  96          1HD1      LEU  96  -5.990  -6.217   1.468
  752   2HD1  LEU  96          2HD1      LEU  96  -5.352  -6.371  -0.205
  753   3HD1  LEU  96          3HD1      LEU  96  -7.126  -6.301   0.077
  754   1HD2  LEU  96          1HD2      LEU  96  -5.773  -8.557  -1.473
  755   2HD2  LEU  96          2HD2      LEU  96  -6.625  -9.890  -0.617
  756   3HD2  LEU  96          3HD2      LEU  96  -7.523  -8.404  -1.086
  757    H    MET  97           H        MET  97  -4.069  -8.893   3.794
  758    HA   MET  97           HA       MET  97  -1.757 -10.687   4.065
  759   1HB   MET  97          1HB       MET  97  -0.500  -8.919   4.930
  760   2HB   MET  97          2HB       MET  97  -1.348  -8.269   3.542
  761   1HG   MET  97          1HG       MET  97  -2.983  -7.239   4.980
  762   2HG   MET  97          2HG       MET  97  -2.232  -7.959   6.389
  763   1HE   MET  97          1HE       MET  97  -1.196  -6.417   7.930
  764   2HE   MET  97          2HE       MET  97   0.166  -7.380   7.260
  765   3HE   MET  97          3HE       MET  97   0.346  -5.606   7.490
  766    H    SER  98           H        SER  98  -4.540 -11.000   5.176
  767    HA   SER  98           HA       SER  98  -4.982 -10.375   7.736
  768   1HB   SER  98          1HB       SER  98  -6.459 -11.804   6.482
  769   2HB   SER  98          2HB       SER  98  -5.301 -13.118   6.566
  770    HG   SER  98           HG       SER  98  -6.915 -13.266   8.209
  771    H    GLN  99           H        GLN  99  -3.506 -13.557   7.209
  772    HA   GLN  99           HA       GLN  99  -1.232 -12.804   8.842
  773   1HB   GLN  99          1HB       GLN  99  -3.464 -13.790  10.080
  774   2HB   GLN  99          2HB       GLN  99  -2.486 -15.229   9.871
  775   1HG   GLN  99          1HG       GLN  99  -0.849 -14.486  11.273
  776   2HG   GLN  99          2HG       GLN  99  -1.094 -12.807  10.836
  777   1HE2  GLN  99          2HE2      GLN  99  -1.027 -14.496  13.442
  778   2HE2  GLN  99          1HE2      GLN  99  -2.410 -13.891  14.325
  779    HA   PRO 100           HA       PRO 100  -0.692 -16.104   5.599
  780   1HB   PRO 100          1HB       PRO 100   0.683 -14.653   3.702
  781   2HB   PRO 100          2HB       PRO 100  -1.037 -14.982   3.652
  782   1HG   PRO 100          1HG       PRO 100   0.339 -12.474   4.266
  783   2HG   PRO 100          2HG       PRO 100  -1.342 -12.732   3.848
  784   1HD   PRO 100          1HD       PRO 100  -0.247 -12.252   6.422
  785   2HD   PRO 100          2HD       PRO 100  -1.922 -12.563   6.010
  786    H    CYS 101           H        CYS 101   1.786 -13.494   5.625
  787    HA   CYS 101           HA       CYS 101   3.910 -15.389   5.960
  788   1HB   CYS 101          1HB       CYS 101   4.253 -12.506   6.533
  789   2HB   CYS 101          2HB       CYS 101   5.317 -13.613   5.688
  790    H    GLN 102           H        GLN 102   4.594 -16.297   7.769
  791    HA   GLN 102           HA       GLN 102   3.994 -14.945  10.331
  792   1HB   GLN 102          1HB       GLN 102   3.907 -17.890   9.747
  793   2HB   GLN 102          2HB       GLN 102   3.713 -17.170  11.332
  794   1HG   GLN 102          1HG       GLN 102   1.807 -15.817  10.294
  795   2HG   GLN 102          2HG       GLN 102   1.901 -16.938   8.950
  796   1HE2  GLN 102          2HE2      GLN 102   0.124 -18.218   9.125
  797   2HE2  GLN 102          1HE2      GLN 102  -0.335 -19.069  10.583
  798    H    MET 103           H        MET 103   5.377 -16.173  12.132
  799    HA   MET 103           HA       MET 103   8.028 -15.480  11.836
  800   1HB   MET 103          1HB       MET 103   6.448 -17.130  13.655
  801   2HB   MET 103          2HB       MET 103   8.158 -17.511  13.632
  802   1HG   MET 103          1HG       MET 103   8.591 -15.047  13.972
  803   2HG   MET 103          2HG       MET 103   6.874 -14.873  14.275
  804   1HE   MET 103          1HE       MET 103  10.135 -16.784  15.320
  805   2HE   MET 103          2HE       MET 103  10.145 -15.058  15.821
  806   3HE   MET 103          3HE       MET 103  10.118 -16.355  17.066
  Start of MODEL    9
    1    HA   PRO   1           HA       PRO   1  -0.894 -10.297  10.551
    2   1HB   PRO   1          1HB       PRO   1   0.260 -11.311  12.809
    3   2HB   PRO   1          2HB       PRO   1  -0.144 -12.267  11.398
    4   1HG   PRO   1          1HG       PRO   1   2.499 -11.428  12.352
    5   2HG   PRO   1          2HG       PRO   1   2.097 -12.674  11.188
    6   1HD   PRO   1          1HD       PRO   1   2.983 -10.004  10.680
    7   2HD   PRO   1          2HD       PRO   1   2.624 -11.265   9.517
    8    H    TYR   2           H        TYR   2   1.930  -8.619  11.863
    9    HA   TYR   2           HA       TYR   2   0.261  -6.600  13.132
   10   1HB   TYR   2          1HB       TYR   2   0.825  -8.802  14.621
   11   2HB   TYR   2          2HB       TYR   2   2.171  -7.758  15.031
   12    HD1  TYR   2           1HD      TYR   2   1.484  -5.232  15.601
   13    HD2  TYR   2           2HD      TYR   2  -1.128  -8.661  15.858
   14    HE1  TYR   2           1HE      TYR   2   0.062  -4.017  17.234
   15    HE2  TYR   2           2HE      TYR   2  -2.552  -7.437  17.504
   16    HH   TYR   2           HH       TYR   2  -2.835  -5.482  18.639
   17    H    GLY   3           H        GLY   3   2.508  -7.046  11.078
   18   1HA   GLY   3          1HA       GLY   3   4.056  -4.697  11.718
   19   2HA   GLY   3          2HA       GLY   3   4.983  -6.173  11.896
   20    H    ARG   4           H        ARG   4   6.069  -4.726  10.113
   21    HA   ARG   4           HA       ARG   4   4.940  -5.150   7.453
   22   1HB   ARG   4          1HB       ARG   4   6.875  -3.408   8.619
   23   2HB   ARG   4          2HB       ARG   4   7.625  -4.265   7.287
   24   1HG   ARG   4          1HG       ARG   4   6.588  -2.215   6.481
   25   2HG   ARG   4          2HG       ARG   4   5.757  -3.612   5.825
   26   1HD   ARG   4          1HD       ARG   4   3.979  -2.263   6.449
   27   2HD   ARG   4          2HD       ARG   4   4.159  -3.280   7.865
   28    HE   ARG   4           HE       ARG   4   4.739  -0.428   7.639
   29   1HH1  ARG   4          1HH2      ARG   4   5.018  -3.260   9.688
   30   2HH1  ARG   4          2HH2      ARG   4   5.419  -2.300  11.094
   31   1HH2  ARG   4          1HH1      ARG   4   5.324   0.706   9.505
   32   2HH2  ARG   4          2HH1      ARG   4   5.583  -0.171  10.995
   33    H    GLY   5           H        GLY   5   6.491  -5.962   5.717
   34   1HA   GLY   5          1HA       GLY   5   8.404  -7.981   6.530
   35   2HA   GLY   5          2HA       GLY   5   6.923  -8.662   5.885
   36    H    ARG   6           H        ARG   6   9.971  -7.444   5.127
   37    HA   ARG   6           HA       ARG   6   9.568  -6.222   2.604
   38   1HB   ARG   6          1HB       ARG   6  11.897  -6.480   2.278
   39   2HB   ARG   6          2HB       ARG   6  11.688  -6.285   4.006
   40   1HG   ARG   6          1HG       ARG   6  11.692  -8.804   4.194
   41   2HG   ARG   6          2HG       ARG   6  12.149  -8.864   2.504
   42   1HD   ARG   6          1HD       ARG   6  13.774  -7.129   4.262
   43   2HD   ARG   6          2HD       ARG   6  13.945  -8.859   4.483
   44    HE   ARG   6           HE       ARG   6  14.792  -7.275   2.182
   45   1HH1  ARG   6          1HH2      ARG   6  14.167 -10.520   3.380
   46   2HH1  ARG   6          2HH2      ARG   6  15.124 -11.263   2.119
   47   1HH2  ARG   6          1HH1      ARG   6  15.987  -8.307   0.590
   48   2HH2  ARG   6          2HH1      ARG   6  16.120 -10.051   0.591
   49    H    THR   7           H        THR   7  10.669  -7.313   0.583
   50    HA   THR   7           HA       THR   7  10.366 -10.146   0.270
   51    HB   THR   7           HB       THR   7   8.019  -9.534   0.347
   52    HG1  THR   7           1HG      THR   7   7.339 -10.414  -1.629
   53   1HG2  THR   7          1HG2      THR   7   8.092  -7.247  -0.398
   54   2HG2  THR   7          2HG2      THR   7   8.578  -7.787  -2.043
   55   3HG2  THR   7          3HG2      THR   7   6.948  -8.201  -1.407
   56    H    GLU   8           H        GLU   8  10.876 -10.848  -1.876
   57    HA   GLU   8           HA       GLU   8  12.713  -9.117  -3.232
   58   1HB   GLU   8          1HB       GLU   8  11.567 -11.776  -4.037
   59   2HB   GLU   8          2HB       GLU   8  12.917 -10.979  -4.820
   60   1HG   GLU   8          1HG       GLU   8  14.072 -10.945  -2.580
   61   2HG   GLU   8          2HG       GLU   8  12.779 -11.958  -1.971
   62    H    SER   9           H        SER   9  12.559  -9.025  -5.725
   63    HA   SER   9           HA       SER   9  10.500  -7.343  -6.561
   64   1HB   SER   9          1HB       SER   9  11.381  -8.520  -8.892
   65   2HB   SER   9          2HB       SER   9  12.041  -7.086  -8.131
   66    HG   SER   9           HG       SER   9  13.640  -8.658  -8.573
   67    H    GLY  10           H        GLY  10   9.352  -8.020  -8.868
   68   1HA   GLY  10          1HA       GLY  10   7.915  -9.610  -9.924
   69   2HA   GLY  10          2HA       GLY  10   8.008 -10.634  -8.505
   70    H    CYS  11           H        CYS  11   6.894  -9.831  -6.490
   71    HA   CYS  11           HA       CYS  11   4.275  -9.014  -7.015
   72   1HB   CYS  11          1HB       CYS  11   5.741  -8.667  -4.456
   73   2HB   CYS  11          2HB       CYS  11   4.004  -8.728  -4.684
   74    H    TYR  12           H        TYR  12   6.503  -7.002  -5.079
   75    HA   TYR  12           HA       TYR  12   5.377  -4.535  -5.295
   76   1HB   TYR  12          1HB       TYR  12   7.341  -4.846  -4.087
   77   2HB   TYR  12          2HB       TYR  12   8.197  -5.466  -5.483
   78    HD1  TYR  12           1HD      TYR  12   9.841  -4.102  -6.340
   79    HD2  TYR  12           2HD      TYR  12   6.266  -2.329  -4.692
   80    HE1  TYR  12           1HE      TYR  12  10.714  -1.832  -6.874
   81    HE2  TYR  12           2HE      TYR  12   7.271  -0.082  -5.007
   82    HH   TYR  12           HH       TYR  12   8.911   1.108  -5.928
   83    H    GLN  13           H        GLN  13   7.599  -5.895  -7.748
   84    HA   GLN  13           HA       GLN  13   7.471  -3.741  -9.569
   85   1HB   GLN  13          1HB       GLN  13   9.058  -5.591  -9.749
   86   2HB   GLN  13          2HB       GLN  13   7.744  -6.694 -10.104
   87   1HG   GLN  13          1HG       GLN  13   8.637  -6.139 -12.212
   88   2HG   GLN  13          2HG       GLN  13   7.193  -5.158 -12.066
   89   1HE2  GLN  13          2HE2      GLN  13   8.452  -4.047 -13.894
   90   2HE2  GLN  13          1HE2      GLN  13   9.616  -2.828 -13.429
   91    H    GLN  14           H        GLN  14   5.270  -6.602  -9.318
   92    HA   GLN  14           HA       GLN  14   3.646  -5.710 -11.527
   93   1HB   GLN  14          1HB       GLN  14   2.638  -7.684 -11.238
   94   2HB   GLN  14          2HB       GLN  14   3.947  -8.003 -10.118
   95   1HG   GLN  14          1HG       GLN  14   2.414  -6.988  -8.340
   96   2HG   GLN  14          2HG       GLN  14   1.134  -7.196  -9.518
   97   1HE2  GLN  14          2HE2      GLN  14   2.379  -8.601  -6.853
   98   2HE2  GLN  14          1HE2      GLN  14   2.014 -10.273  -7.218
   99    H    MET  15           H        MET  15   3.879  -4.783  -8.244
  100    HA   MET  15           HA       MET  15   1.224  -3.938  -7.694
  101   1HB   MET  15          1HB       MET  15   3.603  -3.966  -6.247
  102   2HB   MET  15          2HB       MET  15   3.212  -2.268  -6.434
  103   1HG   MET  15          1HG       MET  15   1.813  -2.543  -4.711
  104   2HG   MET  15          2HG       MET  15   0.786  -3.426  -5.823
  105   1HE   MET  15          1HE       MET  15   4.050  -3.711  -3.811
  106   2HE   MET  15          2HE       MET  15   2.670  -3.300  -2.734
  107   3HE   MET  15          3HE       MET  15   3.521  -4.872  -2.543
  108    H    GLU  16           H        GLU  16   4.166  -2.084  -8.720
  109    HA   GLU  16           HA       GLU  16   2.920   0.407  -9.027
  110   1HB   GLU  16          1HB       GLU  16   4.626   0.752 -10.887
  111   2HB   GLU  16          2HB       GLU  16   5.248   0.341  -9.302
  112   1HG   GLU  16          1HG       GLU  16   5.731  -1.851  -9.935
  113   2HG   GLU  16          2HG       GLU  16   4.730  -1.745 -11.369
  114    H    GLU  17           H        GLU  17   2.770  -2.382 -11.180
  115    HA   GLU  17           HA       GLU  17   1.435  -1.015 -13.338
  116   1HB   GLU  17          1HB       GLU  17   2.727  -3.366 -13.156
  117   2HB   GLU  17          2HB       GLU  17   1.075  -3.928 -12.999
  118   1HG   GLU  17          1HG       GLU  17   0.731  -2.237 -15.038
  119   2HG   GLU  17          2HG       GLU  17   2.418  -2.627 -15.304
  120    H    ALA  18           H        ALA  18   0.394  -2.636 -10.411
  121    HA   ALA  18           HA       ALA  18  -2.411  -1.957 -11.069
  122   1HB   ALA  18          1HB       ALA  18  -2.065  -4.386 -11.251
  123   2HB   ALA  18          2HB       ALA  18  -1.350  -4.403  -9.602
  124   3HB   ALA  18          3HB       ALA  18  -3.087  -3.998  -9.824
  125    H    GLU  19           H        GLU  19  -1.007  -0.042  -9.895
  126    HA   GLU  19           HA       GLU  19  -0.301   0.039  -7.267
  127   1HB   GLU  19          1HB       GLU  19  -1.299   2.503  -7.476
  128   2HB   GLU  19          2HB       GLU  19   0.214   2.011  -8.208
  129   1HG   GLU  19          1HG       GLU  19  -0.675   1.951 -10.336
  130   2HG   GLU  19          2HG       GLU  19  -2.305   1.670  -9.760
  131    H    MET  20           H        MET  20  -1.472  -1.183  -5.880
  132    HA   MET  20           HA       MET  20  -4.392  -0.992  -5.941
  133   1HB   MET  20          1HB       MET  20  -4.260  -2.708  -4.241
  134   2HB   MET  20          2HB       MET  20  -3.217  -3.096  -5.594
  135   1HG   MET  20          1HG       MET  20  -1.894  -3.610  -3.751
  136   2HG   MET  20          2HG       MET  20  -1.350  -2.003  -4.188
  137   1HE   MET  20          1HE       MET  20  -2.389  -4.252  -1.424
  138   2HE   MET  20          2HE       MET  20  -0.807  -3.401  -1.358
  139   3HE   MET  20          3HE       MET  20  -2.041  -3.101  -0.086
  140    H    LEU  21           H        LEU  21  -1.689   0.195  -4.217
  141    HA   LEU  21           HA       LEU  21  -3.166   1.267  -2.011
  142   1HB   LEU  21          1HB       LEU  21  -0.538   0.661  -2.451
  143   2HB   LEU  21          2HB       LEU  21  -0.546   2.412  -2.514
  144    HG   LEU  21           HG       LEU  21  -0.863   0.604  -0.293
  145   1HD1  LEU  21          1HD1      LEU  21   1.017   2.046  -0.380
  146   2HD1  LEU  21          2HD1      LEU  21  -0.053   3.490  -0.443
  147   3HD1  LEU  21          3HD1      LEU  21  -0.004   2.472   1.039
  148   1HD2  LEU  21          1HD2      LEU  21  -2.679   2.997  -0.218
  149   2HD2  LEU  21          2HD2      LEU  21  -3.164   1.267  -0.161
  150   3HD2  LEU  21          3HD2      LEU  21  -2.208   1.977   1.186
  151    H    ASN  22           H        ASN  22  -3.064   2.100  -5.236
  152    HA   ASN  22           HA       ASN  22  -3.291   4.958  -4.849
  153   1HB   ASN  22          1HB       ASN  22  -2.495   4.087  -6.917
  154   2HB   ASN  22          2HB       ASN  22  -3.959   3.151  -7.141
  155   1HD2  ASN  22          2HD2      ASN  22  -3.154   6.477  -6.278
  156   2HD2  ASN  22          1HD2      ASN  22  -4.324   7.223  -7.343
  157    H    HIS  23           H        HIS  23  -5.262   2.668  -3.626
  158    HA   HIS  23           HA       HIS  23  -7.696   4.268  -4.189
  159   1HB   HIS  23          1HB       HIS  23  -7.680   1.297  -3.957
  160   2HB   HIS  23          2HB       HIS  23  -9.027   2.331  -4.388
  161    HD1  HIS  23           1HD      HIS  23  -9.569   2.170  -6.886
  162    HD2  HIS  23           2HD      HIS  23  -5.490   1.619  -5.965
  163    HE1  HIS  23           1HE      HIS  23  -8.367   1.692  -9.111
  164    HE2  HIS  23           2HE      HIS  23  -5.867   1.446  -8.550
  165    H    CYS  24           H        CYS  24  -6.648   1.514  -2.195
  166    HA   CYS  24           HA       CYS  24  -7.989   2.490   0.127
  167   1HB   CYS  24          1HB       CYS  24  -6.187   0.287  -0.505
  168   2HB   CYS  24          2HB       CYS  24  -6.004   0.912   1.121
  169    H    GLY  25           H        GLY  25  -5.025   3.436  -1.362
  170   1HA   GLY  25          1HA       GLY  25  -3.811   4.493   1.076
  171   2HA   GLY  25          2HA       GLY  25  -3.169   4.575  -0.552
  172    H    MET  26           H        MET  26  -5.096   5.818  -2.024
  173    HA   MET  26           HA       MET  26  -4.851   8.520  -1.446
  174   1HB   MET  26          1HB       MET  26  -6.169   7.033  -3.356
  175   2HB   MET  26          2HB       MET  26  -7.471   7.866  -2.532
  176   1HG   MET  26          1HG       MET  26  -7.004   9.618  -3.843
  177   2HG   MET  26          2HG       MET  26  -5.559   9.830  -2.877
  178   1HE   MET  26          1HE       MET  26  -6.534  10.223  -6.195
  179   2HE   MET  26          2HE       MET  26  -5.156  11.116  -5.461
  180   3HE   MET  26          3HE       MET  26  -4.898  10.117  -6.933
  181    H    TYR  27           H        TYR  27  -7.471   6.329  -0.352
  182    HA   TYR  27           HA       TYR  27  -9.096   8.149   1.000
  183   1HB   TYR  27          1HB       TYR  27  -9.565   5.829   0.565
  184   2HB   TYR  27          2HB       TYR  27  -8.282   5.346   1.656
  185    HD1  TYR  27           1HD      TYR  27  -8.994   4.439   3.624
  186    HD2  TYR  27           2HD      TYR  27 -11.265   7.621   1.793
  187    HE1  TYR  27           1HE      TYR  27 -10.542   4.436   5.574
  188    HE2  TYR  27           2HE      TYR  27 -12.827   7.605   3.731
  189    HH   TYR  27           HH       TYR  27 -13.210   6.726   5.819
  190    H    LEU  28           H        LEU  28  -6.176   6.568   2.150
  191    HA   LEU  28           HA       LEU  28  -6.328   7.806   4.783
  192   1HB   LEU  28          1HB       LEU  28  -3.983   6.269   3.793
  193   2HB   LEU  28          2HB       LEU  28  -4.620   6.395   5.421
  194    HG   LEU  28           HG       LEU  28  -6.165   5.034   3.285
  195   1HD1  LEU  28          1HD1      LEU  28  -3.996   4.017   3.120
  196   2HD1  LEU  28          2HD1      LEU  28  -3.963   3.753   4.898
  197   3HD1  LEU  28          3HD1      LEU  28  -5.153   2.870   3.881
  198   1HD2  LEU  28          1HD2      LEU  28  -6.117   4.674   6.269
  199   2HD2  LEU  28          2HD2      LEU  28  -7.381   5.504   5.295
  200   3HD2  LEU  28          3HD2      LEU  28  -7.124   3.733   5.115
  201    H    MET  29           H        MET  29  -4.719   8.255   1.732
  202    HA   MET  29           HA       MET  29  -2.911  10.302   2.690
  203   1HB   MET  29          1HB       MET  29  -2.692   8.433   0.743
  204   2HB   MET  29          2HB       MET  29  -3.076   9.870  -0.181
  205   1HG   MET  29          1HG       MET  29  -1.190  10.705   1.678
  206   2HG   MET  29          2HG       MET  29  -0.624   9.135   1.143
  207   1HE   MET  29          1HE       MET  29  -2.523  12.108  -0.592
  208   2HE   MET  29          2HE       MET  29  -1.199  12.832   0.386
  209   3HE   MET  29          3HE       MET  29  -1.145  12.925  -1.409
  210    H    LYS  30           H        LYS  30  -6.087  10.355   2.142
  211    HA   LYS  30           HA       LYS  30  -6.243  12.689   0.405
  212   1HB   LYS  30          1HB       LYS  30  -8.035  10.676   1.368
  213   2HB   LYS  30          2HB       LYS  30  -8.696  12.258   1.729
  214   1HG   LYS  30          1HG       LYS  30  -8.958  12.802  -0.473
  215   2HG   LYS  30          2HG       LYS  30  -7.533  11.912  -0.969
  216   1HD   LYS  30          1HD       LYS  30  -8.743  10.116  -1.528
  217   2HD   LYS  30          2HD       LYS  30  -9.617  10.146  -0.010
  218   1HE   LYS  30          1HE       LYS  30 -10.473  12.318  -1.691
  219   2HE   LYS  30          2HE       LYS  30 -10.609  10.796  -2.551
  220   1HZ   LYS  30          1HZ       LYS  30 -11.869   9.925  -0.710
  221   2HZ   LYS  30          2HZ       LYS  30 -11.740  11.363   0.102
  222   3HZ   LYS  30          3HZ       LYS  30 -12.597  11.285  -1.313
  223    H    ASN  31           H        ASN  31  -6.313  11.922   3.823
  224    HA   ASN  31           HA       ASN  31  -6.608  14.764   4.522
  225   1HB   ASN  31          1HB       ASN  31  -6.747  12.158   5.905
  226   2HB   ASN  31          2HB       ASN  31  -6.147  13.506   6.851
  227   1HD2  ASN  31          2HD2      ASN  31  -7.483  15.426   7.033
  228   2HD2  ASN  31          1HD2      ASN  31  -9.220  15.275   6.880
  229    H    LEU  32           H        LEU  32  -4.078  12.530   3.846
  230    HA   LEU  32           HA       LEU  32  -2.099  13.736   5.569
  231   1HB   LEU  32          1HB       LEU  32  -1.905  11.993   3.131
  232   2HB   LEU  32          2HB       LEU  32  -0.517  12.507   4.068
  233    HG   LEU  32           HG       LEU  32  -2.853  11.044   5.246
  234   1HD1  LEU  32          1HD1      LEU  32  -1.741   9.651   3.536
  235   2HD1  LEU  32          2HD1      LEU  32  -0.157   9.990   4.317
  236   3HD1  LEU  32          3HD1      LEU  32  -1.407   9.041   5.195
  237   1HD2  LEU  32          1HD2      LEU  32  -0.022  11.498   6.210
  238   2HD2  LEU  32          2HD2      LEU  32  -1.487  12.337   6.830
  239   3HD2  LEU  32          3HD2      LEU  32  -1.298  10.564   7.067
  240    H    GLY  33           H        GLY  33  -3.468  14.597   2.519
  241   1HA   GLY  33          1HA       GLY  33  -1.375  16.150   1.402
  242   2HA   GLY  33          2HA       GLY  33  -3.089  16.338   1.092
  243    H    GLU  34           H        GLU  34  -0.424  17.261   3.183
  244    HA   GLU  34           HA       GLU  34  -1.769  18.918   5.029
  245   1HB   GLU  34          1HB       GLU  34   0.696  17.971   4.990
  246   2HB   GLU  34          2HB       GLU  34   1.043  19.514   4.236
  247   1HG   GLU  34          1HG       GLU  34   0.029  20.690   6.126
  248   2HG   GLU  34          2HG       GLU  34  -0.396  19.161   6.869
  249    H    ARG  35           H        ARG  35  -3.239  20.209   4.012
  250    HA   ARG  35           HA       ARG  35  -2.140  22.387   2.337
  251   1HB   ARG  35          1HB       ARG  35  -3.546  20.388   1.199
  252   2HB   ARG  35          2HB       ARG  35  -4.850  21.481   1.620
  253   1HG   ARG  35          1HG       ARG  35  -2.739  23.056   0.562
  254   2HG   ARG  35          2HG       ARG  35  -2.967  21.701  -0.525
  255   1HD   ARG  35          1HD       ARG  35  -5.543  22.527   0.005
  256   2HD   ARG  35          2HD       ARG  35  -4.649  24.030  -0.090
  257    HE   ARG  35           HE       ARG  35  -4.048  22.214  -2.255
  258   1HH1  ARG  35          1HH2      ARG  35  -6.260  24.728  -1.230
  259   2HH1  ARG  35          2HH2      ARG  35  -6.727  25.110  -2.872
  260   1HH2  ARG  35          1HH1      ARG  35  -4.692  22.737  -4.323
  261   2HH2  ARG  35          2HH1      ARG  35  -5.862  24.012  -4.577
  262    H    SER  36           H        SER  36  -2.929  22.026   5.184
  263    HA   SER  36           HA       SER  36  -4.323  24.532   5.471
  264   1HB   SER  36          1HB       SER  36  -5.930  22.256   5.254
  265   2HB   SER  36          2HB       SER  36  -5.853  22.588   6.973
  266    HG   SER  36           HG       SER  36  -7.503  23.808   5.919
  267    H    GLN  37           H        GLN  37  -5.028  24.517   8.017
  268    HA   GLN  37           HA       GLN  37  -2.796  23.368   9.582
  269   1HB   GLN  37          1HB       GLN  37  -2.642  25.534  10.799
  270   2HB   GLN  37          2HB       GLN  37  -2.112  25.596   9.130
  271   1HG   GLN  37          1HG       GLN  37  -4.061  26.719   8.434
  272   2HG   GLN  37          2HG       GLN  37  -4.921  26.313   9.906
  273   1HE2  GLN  37          2HE2      GLN  37  -4.964  28.886   9.019
  274   2HE2  GLN  37          1HE2      GLN  37  -3.995  29.893  10.071
  275    H    VAL  38           H        VAL  38  -5.483  22.432   9.289
  276    HA   VAL  38           HA       VAL  38  -6.419  22.789  12.079
  277    HB   VAL  38           HB       VAL  38  -7.818  24.007  10.466
  278   1HG1  VAL  38          1HG1      VAL  38  -7.634  22.584   8.493
  279   2HG1  VAL  38          2HG1      VAL  38  -8.506  21.270   9.356
  280   3HG1  VAL  38          3HG1      VAL  38  -9.358  22.802   8.960
  281   1HG2  VAL  38          1HG2      VAL  38  -9.162  21.711  11.912
  282   2HG2  VAL  38          2HG2      VAL  38  -8.739  23.316  12.601
  283   3HG2  VAL  38          3HG2      VAL  38  -9.990  23.192  11.316
  284    H    SER  39           H        SER  39  -6.924  20.965  13.184
  285    HA   SER  39           HA       SER  39  -6.637  18.403  11.710
  286   1HB   SER  39          1HB       SER  39  -4.780  19.017  13.314
  287   2HB   SER  39          2HB       SER  39  -5.948  18.768  14.596
  288    HG   SER  39           HG       SER  39  -4.788  16.842  14.082
  289    HA   PRO  40           HA       PRO  40 -10.863  18.522  13.438
  290   1HB   PRO  40          1HB       PRO  40 -12.102  17.443  11.212
  291   2HB   PRO  40          2HB       PRO  40 -11.918  19.160  11.508
  292   1HG   PRO  40          1HG       PRO  40 -10.508  17.458   9.577
  293   2HG   PRO  40          2HG       PRO  40 -10.667  19.202   9.600
  294   1HD   PRO  40          1HD       PRO  40  -8.420  17.671  10.420
  295   2HD   PRO  40          2HD       PRO  40  -8.622  19.407  10.545
  296    H    ARG  41           H        ARG  41 -12.569  16.483  12.956
  297    HA   ARG  41           HA       ARG  41 -11.222  13.922  12.943
  298   1HB   ARG  41          1HB       ARG  41 -11.050  15.024  15.304
  299   2HB   ARG  41          2HB       ARG  41 -12.718  14.510  15.451
  300   1HG   ARG  41          1HG       ARG  41 -12.094  12.382  15.793
  301   2HG   ARG  41          2HG       ARG  41 -11.114  12.389  14.340
  302   1HD   ARG  41          1HD       ARG  41  -9.898  13.918  16.488
  303   2HD   ARG  41          2HD       ARG  41 -10.175  12.250  16.943
  304    HE   ARG  41           HE       ARG  41  -8.994  12.367  14.354
  305   1HH1  ARG  41          1HH2      ARG  41  -8.144  12.751  17.732
  306   2HH1  ARG  41          2HH2      ARG  41  -6.472  12.318  17.453
  307   1HH2  ARG  41          1HH1      ARG  41  -6.852  11.829  14.063
  308   2HH2  ARG  41          2HH1      ARG  41  -5.761  11.809  15.430
  309    H    MET  42           H        MET  42 -12.560  13.426  11.220
  310    HA   MET  42           HA       MET  42 -15.426  13.127  11.960
  311   1HB   MET  42          1HB       MET  42 -14.606  13.561   9.134
  312   2HB   MET  42          2HB       MET  42 -16.153  13.858   9.900
  313   1HG   MET  42          1HG       MET  42 -14.719  15.602  11.271
  314   2HG   MET  42          2HG       MET  42 -13.717  15.538   9.836
  315   1HE   MET  42          1HE       MET  42 -14.116  16.609   7.678
  316   2HE   MET  42          2HE       MET  42 -15.334  15.315   7.411
  317   3HE   MET  42          3HE       MET  42 -15.744  17.026   7.040
  318    H    ARG  43           H        ARG  43 -16.542  11.491  10.468
  319    HA   ARG  43           HA       ARG  43 -14.680   9.248   9.836
  320   1HB   ARG  43          1HB       ARG  43 -16.778   9.335  11.779
  321   2HB   ARG  43          2HB       ARG  43 -17.235   8.223  10.504
  322   1HG   ARG  43          1HG       ARG  43 -15.546   6.766  10.987
  323   2HG   ARG  43          2HG       ARG  43 -14.438   8.044  11.447
  324   1HD   ARG  43          1HD       ARG  43 -16.770   7.127  13.113
  325   2HD   ARG  43          2HD       ARG  43 -15.115   6.605  13.352
  326    HE   ARG  43           HE       ARG  43 -15.488   9.492  13.361
  327   1HH1  ARG  43          1HH2      ARG  43 -15.394   6.641  15.373
  328   2HH1  ARG  43          2HH2      ARG  43 -15.046   7.559  16.821
  329   1HH2  ARG  43          1HH1      ARG  43 -15.037  10.623  15.240
  330   2HH2  ARG  43          2HH1      ARG  43 -14.849   9.757  16.747
  331    H    GLU  44           H        GLU  44 -14.825   8.599   7.799
  332    HA   GLU  44           HA       GLU  44 -17.359   8.298   6.459
  333   1HB   GLU  44          1HB       GLU  44 -15.964  10.831   6.141
  334   2HB   GLU  44          2HB       GLU  44 -16.072   9.975   4.616
  335   1HG   GLU  44          1HG       GLU  44 -18.530   9.628   5.105
  336   2HG   GLU  44          2HG       GLU  44 -18.343  10.731   6.454
  337    H    GLU  45           H        GLU  45 -17.091   6.743   4.954
  338    HA   GLU  45           HA       GLU  45 -14.397   6.141   3.912
  339   1HB   GLU  45          1HB       GLU  45 -14.920   3.759   4.064
  340   2HB   GLU  45          2HB       GLU  45 -14.843   4.540   5.631
  341   1HG   GLU  45          1HG       GLU  45 -17.531   4.698   4.812
  342   2HG   GLU  45          2HG       GLU  45 -17.007   3.066   4.449
  343    H    ASP  46           H        ASP  46 -14.217   5.590   1.818
  344    HA   ASP  46           HA       ASP  46 -16.605   4.911   0.275
  345   1HB   ASP  46          1HB       ASP  46 -16.308   7.542   0.595
  346   2HB   ASP  46          2HB       ASP  46 -15.220   7.327  -0.762
  347    H    HIS  47           H        HIS  47 -13.756   3.995   0.980
  348    HA   HIS  47           HA       HIS  47 -12.953   3.237  -1.754
  349   1HB   HIS  47          1HB       HIS  47 -11.306   4.928   0.095
  350   2HB   HIS  47          2HB       HIS  47 -10.560   3.889  -1.101
  351    HD1  HIS  47           1HD      HIS  47 -12.729   7.037  -0.865
  352    HD2  HIS  47           2HD      HIS  47 -10.527   4.715  -3.643
  353    HE1  HIS  47           1HE      HIS  47 -12.843   8.283  -3.119
  354    HE2  HIS  47           2HE      HIS  47 -11.423   6.917  -4.776
  355    H    LYS  48           H        LYS  48 -12.330   1.209  -1.720
  356    HA   LYS  48           HA       LYS  48 -10.759  -0.175   0.067
  357   1HB   LYS  48          1HB       LYS  48 -13.330   0.233   1.261
  358   2HB   LYS  48          2HB       LYS  48 -13.107  -1.469   0.908
  359   1HG   LYS  48          1HG       LYS  48 -11.122  -1.584   2.155
  360   2HG   LYS  48          2HG       LYS  48 -10.934   0.158   2.170
  361   1HD   LYS  48          1HD       LYS  48 -11.920   0.145   4.196
  362   2HD   LYS  48          2HD       LYS  48 -13.410  -0.281   3.380
  363   1HE   LYS  48          1HE       LYS  48 -12.675  -2.701   3.547
  364   2HE   LYS  48          2HE       LYS  48 -11.390  -2.154   4.605
  365   1HZ   LYS  48          1HZ       LYS  48 -13.050  -1.239   6.066
  366   2HZ   LYS  48          2HZ       LYS  48 -14.264  -1.755   5.065
  367   3HZ   LYS  48          3HZ       LYS  48 -13.309  -2.859   5.847
  368    H    GLN  49           H        GLN  49 -14.016  -0.838  -1.327
  369    HA   GLN  49           HA       GLN  49 -13.570  -3.383  -2.278
  370   1HB   GLN  49          1HB       GLN  49 -15.072  -1.090  -3.465
  371   2HB   GLN  49          2HB       GLN  49 -15.038  -2.654  -4.253
  372   1HG   GLN  49          1HG       GLN  49 -16.112  -3.714  -2.461
  373   2HG   GLN  49          2HG       GLN  49 -15.742  -2.409  -1.352
  374   1HE2  GLN  49          2HE2      GLN  49 -18.332  -3.780  -2.490
  375   2HE2  GLN  49          1HE2      GLN  49 -19.339  -2.398  -2.856
  376    H    LEU  50           H        LEU  50 -12.515  -0.381  -3.894
  377    HA   LEU  50           HA       LEU  50 -11.442  -1.589  -6.213
  378   1HB   LEU  50          1HB       LEU  50 -10.195   0.808  -5.066
  379   2HB   LEU  50          2HB       LEU  50 -10.656   0.458  -6.718
  380    HG   LEU  50           HG       LEU  50 -13.073   0.670  -5.538
  381   1HD1  LEU  50          1HD1      LEU  50 -12.136   1.316  -3.357
  382   2HD1  LEU  50          2HD1      LEU  50 -11.255   2.675  -4.139
  383   3HD1  LEU  50          3HD1      LEU  50 -13.052   2.684  -4.080
  384   1HD2  LEU  50          1HD2      LEU  50 -11.425   2.909  -6.750
  385   2HD2  LEU  50          2HD2      LEU  50 -12.409   1.703  -7.650
  386   3HD2  LEU  50          3HD2      LEU  50 -13.216   2.901  -6.580
  387    H    CYS  51           H        CYS  51  -9.574  -0.314  -3.346
  388    HA   CYS  51           HA       CYS  51  -7.173  -1.602  -3.992
  389   1HB   CYS  51          1HB       CYS  51  -6.503  -1.151  -1.897
  390   2HB   CYS  51          2HB       CYS  51  -7.819  -0.015  -2.110
  391    H    CYS  52           H        CYS  52  -9.961  -2.995  -2.307
  392    HA   CYS  52           HA       CYS  52  -8.861  -5.544  -1.740
  393   1HB   CYS  52          1HB       CYS  52 -11.062  -4.306  -0.990
  394   2HB   CYS  52          2HB       CYS  52 -11.746  -5.178  -2.347
  395    H    MET  53           H        MET  53 -10.324  -4.153  -4.594
  396    HA   MET  53           HA       MET  53 -10.722  -6.502  -6.148
  397   1HB   MET  53          1HB       MET  53 -11.808  -4.221  -6.549
  398   2HB   MET  53          2HB       MET  53 -10.279  -3.738  -7.257
  399   1HG   MET  53          1HG       MET  53 -11.789  -4.513  -8.984
  400   2HG   MET  53          2HG       MET  53 -10.429  -5.606  -8.831
  401   1HE   MET  53          1HE       MET  53 -10.854  -7.927  -9.350
  402   2HE   MET  53          2HE       MET  53 -10.484  -7.914  -7.590
  403   3HE   MET  53          3HE       MET  53 -11.816  -8.944  -8.222
  404    H    GLN  54           H        GLN  54  -8.333  -3.842  -6.598
  405    HA   GLN  54           HA       GLN  54  -6.717  -5.171  -8.434
  406   1HB   GLN  54          1HB       GLN  54  -6.631  -2.792  -7.052
  407   2HB   GLN  54          2HB       GLN  54  -5.192  -3.627  -6.502
  408   1HG   GLN  54          1HG       GLN  54  -4.531  -2.456  -8.433
  409   2HG   GLN  54          2HG       GLN  54  -4.719  -4.124  -8.937
  410   1HE2  GLN  54          2HE2      GLN  54  -5.174  -3.770 -11.125
  411   2HE2  GLN  54          1HE2      GLN  54  -6.612  -2.925 -11.657
  412    H    LEU  55           H        LEU  55  -6.806  -5.503  -4.939
  413    HA   LEU  55           HA       LEU  55  -4.484  -7.148  -4.700
  414   1HB   LEU  55          1HB       LEU  55  -6.831  -6.449  -3.056
  415   2HB   LEU  55          2HB       LEU  55  -5.802  -7.778  -2.561
  416    HG   LEU  55           HG       LEU  55  -5.530  -5.227  -1.783
  417   1HD1  LEU  55          1HD1      LEU  55  -4.385  -7.086  -0.671
  418   2HD1  LEU  55          2HD1      LEU  55  -3.222  -7.171  -2.040
  419   3HD1  LEU  55          3HD1      LEU  55  -3.266  -5.714  -0.988
  420   1HD2  LEU  55          1HD2      LEU  55  -3.547  -5.648  -3.987
  421   2HD2  LEU  55          2HD2      LEU  55  -4.873  -4.435  -3.944
  422   3HD2  LEU  55          3HD2      LEU  55  -3.515  -4.323  -2.772
  423    H    LYS  56           H        LYS  56  -7.982  -7.954  -4.925
  424    HA   LYS  56           HA       LYS  56  -7.636 -10.750  -5.011
  425   1HB   LYS  56          1HB       LYS  56  -9.792  -9.692  -4.834
  426   2HB   LYS  56          2HB       LYS  56  -9.609  -8.980  -6.426
  427   1HG   LYS  56          1HG       LYS  56 -10.939 -10.784  -6.945
  428   2HG   LYS  56          2HG       LYS  56  -9.358 -11.510  -7.153
  429   1HD   LYS  56          1HD       LYS  56  -9.607 -12.059  -4.601
  430   2HD   LYS  56          2HD       LYS  56 -11.316 -11.865  -4.933
  431   1HE   LYS  56          1HE       LYS  56 -11.377 -13.681  -6.381
  432   2HE   LYS  56          2HE       LYS  56  -9.666 -13.580  -6.741
  433   1HZ   LYS  56          1HZ       LYS  56  -9.204 -14.356  -4.525
  434   2HZ   LYS  56          2HZ       LYS  56 -10.822 -14.451  -4.185
  435   3HZ   LYS  56          3HZ       LYS  56 -10.156 -15.447  -5.329
  436    H    ASN  57           H        ASN  57  -7.165  -8.349  -7.629
  437    HA   ASN  57           HA       ASN  57  -6.589 -10.333  -9.633
  438   1HB   ASN  57          1HB       ASN  57  -6.576  -7.453  -9.383
  439   2HB   ASN  57          2HB       ASN  57  -5.196  -8.020 -10.302
  440   1HD2  ASN  57          2HD2      ASN  57  -7.603  -6.490 -11.131
  441   2HD2  ASN  57          1HD2      ASN  57  -8.331  -7.439 -12.408
  442    H    LEU  58           H        LEU  58  -4.658  -8.896  -7.100
  443    HA   LEU  58           HA       LEU  58  -2.102  -9.640  -8.137
  444   1HB   LEU  58          1HB       LEU  58  -3.185  -8.667  -5.537
  445   2HB   LEU  58          2HB       LEU  58  -1.576  -9.359  -5.566
  446    HG   LEU  58           HG       LEU  58  -2.379  -7.140  -7.421
  447   1HD1  LEU  58          1HD1      LEU  58  -2.631  -6.353  -5.058
  448   2HD1  LEU  58          2HD1      LEU  58  -0.964  -6.939  -4.728
  449   3HD1  LEU  58          3HD1      LEU  58  -1.231  -5.589  -5.886
  450   1HD2  LEU  58          1HD2      LEU  58   0.247  -8.172  -6.324
  451   2HD2  LEU  58          2HD2      LEU  58  -0.401  -8.503  -7.967
  452   3HD2  LEU  58          3HD2      LEU  58   0.052  -6.827  -7.501
  453    H    ASP  59           H        ASP  59  -0.783 -10.967  -6.258
  454    HA   ASP  59           HA       ASP  59  -1.916 -13.678  -6.580
  455   1HB   ASP  59          1HB       ASP  59   0.842 -12.841  -5.733
  456   2HB   ASP  59          2HB       ASP  59   0.318 -14.467  -6.123
  457    H    GLU  60           H        GLU  60  -2.315 -14.999  -4.811
  458    HA   GLU  60           HA       GLU  60  -2.901 -13.758  -2.319
  459   1HB   GLU  60          1HB       GLU  60  -3.427 -16.188  -3.484
  460   2HB   GLU  60          2HB       GLU  60  -2.370 -16.611  -2.151
  461   1HG   GLU  60          1HG       GLU  60  -4.185 -16.524  -0.838
  462   2HG   GLU  60          2HG       GLU  60  -4.139 -14.785  -1.044
  463    H    LYS  61           H        LYS  61   0.021 -15.083  -3.588
  464    HA   LYS  61           HA       LYS  61   1.378 -15.057  -1.004
  465   1HB   LYS  61          1HB       LYS  61   3.136 -16.046  -2.109
  466   2HB   LYS  61          2HB       LYS  61   1.735 -16.656  -2.966
  467   1HG   LYS  61          1HG       LYS  61   2.804 -16.029  -4.839
  468   2HG   LYS  61          2HG       LYS  61   2.373 -14.389  -4.395
  469   1HD   LYS  61          1HD       LYS  61   4.510 -13.850  -3.849
  470   2HD   LYS  61          2HD       LYS  61   4.802 -15.395  -3.076
  471   1HE   LYS  61          1HE       LYS  61   5.863 -16.154  -4.893
  472   2HE   LYS  61          2HE       LYS  61   4.480 -15.778  -5.900
  473   1HZ   LYS  61          1HZ       LYS  61   5.274 -13.536  -6.071
  474   2HZ   LYS  61          2HZ       LYS  61   6.582 -13.891  -5.120
  475   3HZ   LYS  61          3HZ       LYS  61   6.425 -14.599  -6.608
  476    H    CYS  62           H        CYS  62   0.868 -12.809  -3.620
  477    HA   CYS  62           HA       CYS  62   2.892 -10.947  -2.605
  478   1HB   CYS  62          1HB       CYS  62   0.984 -10.858  -4.911
  479   2HB   CYS  62          2HB       CYS  62   2.128  -9.589  -4.518
  480    H    MET  63           H        MET  63   0.081 -11.829  -1.331
  481    HA   MET  63           HA       MET  63  -0.976  -9.078  -0.955
  482   1HB   MET  63          1HB       MET  63  -2.081 -11.809  -0.973
  483   2HB   MET  63          2HB       MET  63  -2.821 -10.661   0.125
  484   1HG   MET  63          1HG       MET  63  -3.674  -9.398  -1.548
  485   2HG   MET  63          2HG       MET  63  -2.365  -9.777  -2.648
  486   1HE   MET  63          1HE       MET  63  -4.043 -12.632  -0.671
  487   2HE   MET  63          2HE       MET  63  -5.394 -11.446  -0.713
  488   3HE   MET  63          3HE       MET  63  -5.522 -12.987  -1.631
  489    H    CYS  64           H        CYS  64   1.046  -8.829   0.423
  490    HA   CYS  64           HA       CYS  64   0.751  -8.661   3.084
  491   1HB   CYS  64          1HB       CYS  64   0.276 -10.785   3.764
  492   2HB   CYS  64          2HB       CYS  64   1.250 -11.522   2.507
  493    HA   PRO  65           HA       PRO  65   5.343  -9.131   2.358
  494   1HB   PRO  65          1HB       PRO  65   6.212 -10.300   0.010
  495   2HB   PRO  65          2HB       PRO  65   6.053 -11.144   1.536
  496   1HG   PRO  65          1HG       PRO  65   4.411 -11.342  -0.858
  497   2HG   PRO  65          2HG       PRO  65   4.527 -12.440   0.502
  498   1HD   PRO  65          1HD       PRO  65   2.480 -10.556  -0.023
  499   2HD   PRO  65          2HD       PRO  65   2.647 -11.586   1.385
  500    H    ALA  66           H        ALA  66   3.431  -8.734  -0.631
  501    HA   ALA  66           HA       ALA  66   5.105  -6.695  -1.709
  502   1HB   ALA  66          1HB       ALA  66   3.617  -8.054  -3.080
  503   2HB   ALA  66          2HB       ALA  66   2.201  -7.385  -2.196
  504   3HB   ALA  66          3HB       ALA  66   3.207  -6.309  -3.227
  505    H    ILE  67           H        ILE  67   2.119  -6.617   0.314
  506    HA   ILE  67           HA       ILE  67   1.451  -3.988   0.377
  507    HB   ILE  67           HB       ILE  67   1.798  -5.889   2.637
  508   1HG1  ILE  67          1HG1      ILE  67   0.061  -6.010   0.647
  509   2HG1  ILE  67          2HG1      ILE  67  -0.327  -6.555   2.266
  510   1HG2  ILE  67          1HG2      ILE  67   2.090  -3.688   3.634
  511   2HG2  ILE  67          2HG2      ILE  67   0.591  -3.108   2.830
  512   3HG2  ILE  67          3HG2      ILE  67   0.496  -4.368   4.108
  513   1HD1  ILE  67          1HD1      ILE  67  -1.378  -4.396   2.766
  514   2HD1  ILE  67          2HD1      ILE  67  -0.980  -3.836   1.105
  515   3HD1  ILE  67          3HD1      ILE  67  -2.137  -5.190   1.343
  516    H    MET  68           H        MET  68   4.104  -5.280   2.526
  517    HA   MET  68           HA       MET  68   5.087  -2.921   3.500
  518   1HB   MET  68          1HB       MET  68   6.189  -4.847   4.096
  519   2HB   MET  68          2HB       MET  68   6.437  -5.337   2.432
  520   1HG   MET  68          1HG       MET  68   8.328  -4.136   2.227
  521   2HG   MET  68          2HG       MET  68   7.694  -2.793   3.158
  522   1HE   MET  68          1HE       MET  68  10.372  -2.717   3.866
  523   2HE   MET  68          2HE       MET  68   9.123  -2.051   4.975
  524   3HE   MET  68          3HE       MET  68  10.459  -3.060   5.629
  525    H    MET  69           H        MET  69   6.305  -4.224   0.427
  526    HA   MET  69           HA       MET  69   7.660  -1.990  -0.499
  527   1HB   MET  69          1HB       MET  69   6.391  -4.361  -1.727
  528   2HB   MET  69          2HB       MET  69   6.907  -3.063  -2.784
  529   1HG   MET  69          1HG       MET  69   8.696  -4.293  -0.726
  530   2HG   MET  69          2HG       MET  69   8.591  -4.884  -2.372
  531   1HE   MET  69          1HE       MET  69  10.558  -2.930  -0.052
  532   2HE   MET  69          2HE       MET  69  11.317  -4.108  -1.179
  533   3HE   MET  69          3HE       MET  69  11.792  -2.375  -1.236
  534    H    MET  70           H        MET  70   4.163  -2.633  -0.733
  535    HA   MET  70           HA       MET  70   3.422  -0.681  -2.573
  536   1HB   MET  70          1HB       MET  70   1.366  -1.215  -1.899
  537   2HB   MET  70          2HB       MET  70   2.159  -2.400  -0.883
  538   1HG   MET  70          1HG       MET  70   2.213  -0.637   0.902
  539   2HG   MET  70          2HG       MET  70   1.135   0.295  -0.118
  540   1HE   MET  70          1HE       MET  70   0.329  -0.089   2.752
  541   2HE   MET  70          2HE       MET  70  -0.742   0.633   1.501
  542   3HE   MET  70          3HE       MET  70  -1.367  -0.662   2.581
  543    H    LEU  71           H        LEU  71   4.327  -0.316   0.842
  544    HA   LEU  71           HA       LEU  71   3.815   2.571   0.707
  545   1HB   LEU  71          1HB       LEU  71   4.741   0.876   3.004
  546   2HB   LEU  71          2HB       LEU  71   4.297   2.569   3.082
  547    HG   LEU  71           HG       LEU  71   2.165   1.119   1.911
  548   1HD1  LEU  71          1HD1      LEU  71   3.047  -0.863   3.035
  549   2HD1  LEU  71          2HD1      LEU  71   3.081   0.046   4.587
  550   3HD1  LEU  71          3HD1      LEU  71   1.510  -0.315   3.789
  551   1HD2  LEU  71          1HD2      LEU  71   2.424   2.431   4.609
  552   2HD2  LEU  71          2HD2      LEU  71   1.933   3.236   3.079
  553   3HD2  LEU  71          3HD2      LEU  71   0.888   1.963   3.801
  554    H    ASN  72           H        ASN  72   6.135   0.786  -0.495
  555    HA   ASN  72           HA       ASN  72   8.325   2.659   0.206
  556   1HB   ASN  72          1HB       ASN  72   8.329  -0.174  -0.805
  557   2HB   ASN  72          2HB       ASN  72   9.766   0.828  -0.734
  558   1HD2  ASN  72          2HD2      ASN  72   9.848   2.023   1.548
  559   2HD2  ASN  72          1HD2      ASN  72   9.778   0.901   2.889
  560    H    GLU  73           H        GLU  73   6.008   2.039  -2.114
  561    HA   GLU  73           HA       GLU  73   7.467   2.244  -4.519
  562   1HB   GLU  73          1HB       GLU  73   4.748   2.079  -3.690
  563   2HB   GLU  73          2HB       GLU  73   4.889   3.399  -4.834
  564   1HG   GLU  73          1HG       GLU  73   6.380   1.511  -6.080
  565   2HG   GLU  73          2HG       GLU  73   5.212   0.497  -5.257
  566    HA   PRO  74           HA       PRO  74   8.310   6.552  -4.982
  567   1HB   PRO  74          1HB       PRO  74   7.332   7.193  -7.474
  568   2HB   PRO  74          2HB       PRO  74   8.845   6.360  -7.177
  569   1HG   PRO  74          1HG       PRO  74   6.325   5.294  -8.241
  570   2HG   PRO  74          2HG       PRO  74   7.942   4.628  -8.353
  571   1HD   PRO  74          1HD       PRO  74   5.891   3.860  -6.570
  572   2HD   PRO  74          2HD       PRO  74   7.542   3.278  -6.607
  573    H    MET  75           H        MET  75   5.949   6.044  -3.501
  574    HA   MET  75           HA       MET  75   4.764   8.631  -3.542
  575   1HB   MET  75          1HB       MET  75   3.582   6.710  -5.280
  576   2HB   MET  75          2HB       MET  75   2.489   6.933  -3.931
  577   1HG   MET  75          1HG       MET  75   3.124   9.483  -4.353
  578   2HG   MET  75          2HG       MET  75   3.392   8.878  -5.975
  579   1HE   MET  75          1HE       MET  75   1.701   8.222  -7.647
  580   2HE   MET  75          2HE       MET  75   1.447   6.760  -6.632
  581   3HE   MET  75          3HE       MET  75   0.032   7.685  -7.247
  582    H    TRP  76           H        TRP  76   6.083   6.609  -1.681
  583    HA   TRP  76           HA       TRP  76   4.179   6.912   0.492
  584   1HB   TRP  76          1HB       TRP  76   4.969   4.176  -0.428
  585   2HB   TRP  76          2HB       TRP  76   4.062   4.548   1.024
  586    HD1  TRP  76           HD       TRP  76   3.630   3.675  -2.552
  587    HE1  TRP  76           1HE      TRP  76   1.179   3.956  -3.278
  588    HE3  TRP  76           3HE      TRP  76   1.909   6.379   1.374
  589    HZ2  TRP  76           2HZ      TRP  76  -1.186   5.318  -2.335
  590    HZ3  TRP  76           3HZ      TRP  76  -0.440   7.147   1.487
  591    HH2  TRP  76           HH       TRP  76  -2.028   6.524  -0.318
  592    H    ILE  77           H        ILE  77   5.754   8.099   1.604
  593    HA   ILE  77           HA       ILE  77   8.213   6.589   2.284
  594    HB   ILE  77           HB       ILE  77   8.196   9.304   1.058
  595   1HG1  ILE  77          1HG1      ILE  77  10.098   8.333  -0.268
  596   2HG1  ILE  77          2HG1      ILE  77   9.656   6.776   0.401
  597   1HG2  ILE  77          1HG2      ILE  77   9.539   9.530   3.098
  598   2HG2  ILE  77          2HG2      ILE  77  10.484   8.070   2.643
  599   3HG2  ILE  77          3HG2      ILE  77  10.597   9.562   1.646
  600   1HD1  ILE  77          1HD1      ILE  77   7.407   6.954  -0.611
  601   2HD1  ILE  77          2HD1      ILE  77   7.861   8.552  -1.297
  602   3HD1  ILE  77          3HD1      ILE  77   8.702   7.064  -1.854
  603    H    ARG  78           H        ARG  78   7.763   9.973   3.007
  604    HA   ARG  78           HA       ARG  78   7.561   9.277   5.851
  605   1HB   ARG  78          1HB       ARG  78   8.267  11.469   6.292
  606   2HB   ARG  78          2HB       ARG  78   9.192  10.953   4.897
  607   1HG   ARG  78          1HG       ARG  78   7.060  12.055   3.661
  608   2HG   ARG  78          2HG       ARG  78   7.104  13.032   5.114
  609   1HD   ARG  78          1HD       ARG  78   9.746  12.766   4.029
  610   2HD   ARG  78          2HD       ARG  78   8.647  13.355   2.799
  611    HE   ARG  78           HE       ARG  78   9.590  14.779   5.121
  612   1HH1  ARG  78          1HH2      ARG  78   6.919  14.562   2.856
  613   2HH1  ARG  78          2HH2      ARG  78   6.401  16.204   3.170
  614   1HH2  ARG  78          1HH1      ARG  78   8.864  16.856   5.488
  615   2HH2  ARG  78          2HH1      ARG  78   7.473  17.465   4.621
  616    H    MET  79           H        MET  79   5.380   9.135   3.733
  617    HA   MET  79           HA       MET  79   3.311  10.872   4.984
  618   1HB   MET  79          1HB       MET  79   2.208  10.266   2.648
  619   2HB   MET  79          2HB       MET  79   3.263  11.650   2.837
  620   1HG   MET  79          1HG       MET  79   5.136  10.348   1.978
  621   2HG   MET  79          2HG       MET  79   4.090   8.953   1.804
  622   1HE   MET  79          1HE       MET  79   2.823   8.322  -0.063
  623   2HE   MET  79          2HE       MET  79   1.619   9.475   0.609
  624   3HE   MET  79          3HE       MET  79   1.975   9.472  -1.153
  625    H    ARG  80           H        ARG  80   4.172   7.737   3.591
  626    HA   ARG  80           HA       ARG  80   1.763   6.441   4.275
  627   1HB   ARG  80          1HB       ARG  80   3.129   4.377   4.346
  628   2HB   ARG  80          2HB       ARG  80   3.247   5.300   2.861
  629   1HG   ARG  80          1HG       ARG  80   5.410   5.626   3.126
  630   2HG   ARG  80          2HG       ARG  80   5.198   6.143   4.786
  631   1HD   ARG  80          1HD       ARG  80   4.893   3.463   5.000
  632   2HD   ARG  80          2HD       ARG  80   6.079   3.590   3.717
  633    HE   ARG  80           HE       ARG  80   7.070   5.285   5.577
  634   1HH1  ARG  80          1HH2      ARG  80   5.939   1.973   5.780
  635   2HH1  ARG  80          2HH2      ARG  80   7.021   1.587   7.100
  636   1HH2  ARG  80          1HH1      ARG  80   8.432   4.720   7.271
  637   2HH2  ARG  80          2HH1      ARG  80   8.387   3.095   7.916
  638    H    ASP  81           H        ASP  81   4.223   7.568   6.423
  639    HA   ASP  81           HA       ASP  81   4.055   5.959   8.643
  640   1HB   ASP  81          1HB       ASP  81   4.749   8.598   8.078
  641   2HB   ASP  81          2HB       ASP  81   3.601   8.693   9.398
  642    H    GLN  82           H        GLN  82   1.447   7.875   7.335
  643    HA   GLN  82           HA       GLN  82  -0.327   7.096   9.563
  644   1HB   GLN  82          1HB       GLN  82  -0.459   9.121   7.382
  645   2HB   GLN  82          2HB       GLN  82  -1.869   8.684   8.325
  646   1HG   GLN  82          1HG       GLN  82  -1.177   9.913  10.060
  647   2HG   GLN  82          2HG       GLN  82   0.385   9.120  10.057
  648   1HE2  GLN  82          2HE2      GLN  82  -1.127  12.068   9.834
  649   2HE2  GLN  82          1HE2      GLN  82   0.126  12.957   8.996
  650    H    VAL  83           H        VAL  83   0.288   6.438   6.170
  651    HA   VAL  83           HA       VAL  83  -2.263   5.029   5.885
  652    HB   VAL  83           HB       VAL  83  -1.970   5.019   3.638
  653   1HG1  VAL  83          1HG1      VAL  83  -2.038   7.341   4.382
  654   2HG1  VAL  83          2HG1      VAL  83  -0.244   7.347   4.516
  655   3HG1  VAL  83          3HG1      VAL  83  -1.025   7.169   2.906
  656   1HG2  VAL  83          1HG2      VAL  83   1.014   5.199   4.010
  657   2HG2  VAL  83          2HG2      VAL  83   0.082   3.732   3.551
  658   3HG2  VAL  83          3HG2      VAL  83   0.145   5.141   2.436
  659    H    MET  84           H        MET  84   0.327   4.279   7.521
  660    HA   MET  84           HA       MET  84   0.919   1.636   6.393
  661   1HB   MET  84          1HB       MET  84   2.664   1.586   8.020
  662   2HB   MET  84          2HB       MET  84   2.721   3.095   7.133
  663   1HG   MET  84          1HG       MET  84   1.818   4.280   9.002
  664   2HG   MET  84          2HG       MET  84   1.600   2.784   9.888
  665   1HE   MET  84          1HE       MET  84   4.696   2.424   8.012
  666   2HE   MET  84          2HE       MET  84   4.565   4.202   7.779
  667   3HE   MET  84          3HE       MET  84   5.909   3.520   8.759
  668    H    SER  85           H        SER  85  -0.223   3.199   9.352
  669    HA   SER  85           HA       SER  85  -1.011   0.653  10.536
  670   1HB   SER  85          1HB       SER  85  -0.170   2.930  11.690
  671   2HB   SER  85          2HB       SER  85  -1.901   3.191  11.756
  672    HG   SER  85           HG       SER  85  -1.134   1.947  13.555
  673    H    MET  86           H        MET  86  -2.232   2.270   8.063
  674    HA   MET  86           HA       MET  86  -5.071   1.916   8.874
  675   1HB   MET  86          1HB       MET  86  -3.828   3.710   6.831
  676   2HB   MET  86          2HB       MET  86  -5.549   3.535   7.106
  677   1HG   MET  86          1HG       MET  86  -3.574   4.501   9.136
  678   2HG   MET  86          2HG       MET  86  -4.589   5.535   8.151
  679   1HE   MET  86          1HE       MET  86  -6.641   6.499   8.845
  680   2HE   MET  86          2HE       MET  86  -7.293   5.024   8.052
  681   3HE   MET  86          3HE       MET  86  -7.960   5.564   9.631
  682    H    ALA  87           H        ALA  87  -2.707   1.622   6.249
  683    HA   ALA  87           HA       ALA  87  -4.436  -0.231   4.823
  684   1HB   ALA  87          1HB       ALA  87  -3.065   1.359   3.621
  685   2HB   ALA  87          2HB       ALA  87  -1.595   0.674   4.397
  686   3HB   ALA  87          3HB       ALA  87  -2.557  -0.327   3.255
  687    H    HIS  88           H        HIS  88  -3.204  -0.786   7.633
  688    HA   HIS  88           HA       HIS  88  -1.963  -3.387   6.979
  689   1HB   HIS  88          1HB       HIS  88  -1.161  -3.419   9.141
  690   2HB   HIS  88          2HB       HIS  88  -1.013  -1.745   8.643
  691    HD1  HIS  88           1HD      HIS  88  -1.240  -2.907  11.715
  692    HD2  HIS  88           2HD      HIS  88  -4.163  -0.945   9.383
  693    HE1  HIS  88           1HE      HIS  88  -2.928  -1.869  13.360
  694    HE2  HIS  88           2HE      HIS  88  -4.730  -0.735  11.930
  695    H    ASN  89           H        ASN  89  -4.920  -1.978   8.070
  696    HA   ASN  89           HA       ASN  89  -6.059  -4.619   8.747
  697   1HB   ASN  89          1HB       ASN  89  -6.665  -1.828   9.563
  698   2HB   ASN  89          2HB       ASN  89  -7.977  -2.987   9.494
  699   1HD2  ASN  89          2HD2      ASN  89  -4.599  -3.673  10.326
  700   2HD2  ASN  89          1HD2      ASN  89  -4.927  -4.131  11.982
  701    H    LEU  90           H        LEU  90  -6.223  -1.901   6.483
  702    HA   LEU  90           HA       LEU  90  -8.653  -2.583   5.236
  703   1HB   LEU  90          1HB       LEU  90  -6.124  -1.243   4.430
  704   2HB   LEU  90          2HB       LEU  90  -7.320  -1.608   3.203
  705    HG   LEU  90           HG       LEU  90  -7.860  -0.001   5.687
  706   1HD1  LEU  90          1HD1      LEU  90  -6.347   1.188   4.127
  707   2HD1  LEU  90          2HD1      LEU  90  -7.513   0.873   2.796
  708   3HD1  LEU  90          3HD1      LEU  90  -7.981   1.936   4.167
  709   1HD2  LEU  90          1HD2      LEU  90  -9.457  -0.595   3.194
  710   2HD2  LEU  90          2HD2      LEU  90  -9.751  -1.282   4.829
  711   3HD2  LEU  90          3HD2      LEU  90  -9.974   0.478   4.541
  712    HA   PRO  91           HA       PRO  91  -6.378  -5.637   2.430
  713   1HB   PRO  91          1HB       PRO  91  -3.817  -6.423   3.043
  714   2HB   PRO  91          2HB       PRO  91  -4.206  -5.175   1.875
  715   1HG   PRO  91          1HG       PRO  91  -3.118  -4.904   4.573
  716   2HG   PRO  91          2HG       PRO  91  -3.126  -3.741   3.263
  717   1HD   PRO  91          1HD       PRO  91  -4.802  -3.812   5.530
  718   2HD   PRO  91          2HD       PRO  91  -4.848  -2.684   4.189
  719    H    ILE  92           H        ILE  92  -5.561  -5.763   5.912
  720    HA   ILE  92           HA       ILE  92  -5.727  -8.637   6.024
  721    HB   ILE  92           HB       ILE  92  -5.745  -6.392   7.930
  722   1HG1  ILE  92          1HG1      ILE  92  -3.977  -8.547   7.078
  723   2HG1  ILE  92          2HG1      ILE  92  -3.613  -6.901   7.555
  724   1HG2  ILE  92          1HG2      ILE  92  -7.524  -7.767   8.856
  725   2HG2  ILE  92          2HG2      ILE  92  -6.465  -9.216   8.759
  726   3HG2  ILE  92          3HG2      ILE  92  -6.051  -7.875   9.882
  727   1HD1  ILE  92          1HD1      ILE  92  -3.810  -7.520   9.928
  728   2HD1  ILE  92          2HD1      ILE  92  -4.183  -9.209   9.438
  729   3HD1  ILE  92          3HD1      ILE  92  -2.568  -8.506   9.082
  730    H    GLU  93           H        GLU  93  -8.116  -6.070   6.700
  731    HA   GLU  93           HA       GLU  93 -10.256  -7.778   7.471
  732   1HB   GLU  93          1HB       GLU  93 -10.094  -4.969   6.444
  733   2HB   GLU  93          2HB       GLU  93 -11.652  -5.741   6.658
  734   1HG   GLU  93          1HG       GLU  93 -10.167  -6.226   9.024
  735   2HG   GLU  93          2HG       GLU  93  -9.980  -4.525   8.646
  736    H    CYS  94           H        CYS  94  -8.956  -6.936   4.340
  737    HA   CYS  94           HA       CYS  94 -11.208  -8.134   2.936
  738   1HB   CYS  94          1HB       CYS  94  -8.661  -6.829   2.262
  739   2HB   CYS  94          2HB       CYS  94  -9.327  -7.947   1.089
  740    H    ASN  95           H        ASN  95  -8.560  -9.410   4.592
  741    HA   ASN  95           HA       ASN  95  -7.812 -11.528   4.893
  742   1HB   ASN  95          1HB       ASN  95 -10.170 -12.101   3.931
  743   2HB   ASN  95          2HB       ASN  95  -9.257 -12.580   2.514
  744   1HD2  ASN  95          2HD2      ASN  95  -7.071 -13.828   3.401
  745   2HD2  ASN  95          1HD2      ASN  95  -7.481 -15.182   4.429
  746    H    LEU  96           H        LEU  96  -6.678  -9.437   3.096
  747    HA   LEU  96           HA       LEU  96  -5.408 -10.925   0.948
  748   1HB   LEU  96          1HB       LEU  96  -4.853  -8.133   1.877
  749   2HB   LEU  96          2HB       LEU  96  -4.429  -8.843   0.332
  750    HG   LEU  96           HG       LEU  96  -7.264  -8.552   1.253
  751   1HD1  LEU  96          1HD1      LEU  96  -6.310  -6.329   1.266
  752   2HD1  LEU  96          2HD1      LEU  96  -5.672  -6.584  -0.395
  753   3HD1  LEU  96          3HD1      LEU  96  -7.447  -6.514  -0.115
  754   1HD2  LEU  96          1HD2      LEU  96  -6.089  -8.960  -1.504
  755   2HD2  LEU  96          2HD2      LEU  96  -6.959 -10.185  -0.518
  756   3HD2  LEU  96          3HD2      LEU  96  -7.834  -8.741  -1.132
  757    H    MET  97           H        MET  97  -4.237  -8.996   3.684
  758    HA   MET  97           HA       MET  97  -1.966 -10.862   3.934
  759   1HB   MET  97          1HB       MET  97  -0.609  -9.098   4.663
  760   2HB   MET  97          2HB       MET  97  -1.448  -8.553   3.225
  761   1HG   MET  97          1HG       MET  97  -3.002  -7.307   4.556
  762   2HG   MET  97          2HG       MET  97  -2.280  -7.924   6.028
  763   1HE   MET  97          1HE       MET  97  -0.584  -6.770   7.364
  764   2HE   MET  97          2HE       MET  97   0.544  -7.646   6.272
  765   3HE   MET  97          3HE       MET  97   0.814  -5.906   6.636
  766    H    SER  98           H        SER  98  -4.649 -11.048   5.250
  767    HA   SER  98           HA       SER  98  -4.921 -10.256   7.797
  768   1HB   SER  98          1HB       SER  98  -6.094 -12.362   8.298
  769   2HB   SER  98          2HB       SER  98  -6.560 -11.641   6.771
  770    HG   SER  98           HG       SER  98  -6.141 -13.899   6.582
  771    H    GLN  99           H        GLN  99  -3.568 -13.465   7.384
  772    HA   GLN  99           HA       GLN  99  -1.177 -12.701   8.843
  773   1HB   GLN  99          1HB       GLN  99  -1.577 -14.423  10.590
  774   2HB   GLN  99          2HB       GLN  99  -2.736 -13.110  10.634
  775   1HG   GLN  99          1HG       GLN  99  -4.444 -14.540  10.331
  776   2HG   GLN  99          2HG       GLN  99  -3.701 -15.173   8.877
  777   1HE2  GLN  99          2HE2      GLN  99  -4.951 -17.116   9.822
  778   2HE2  GLN  99          1HE2      GLN  99  -4.035 -18.149  10.898
  779    HA   PRO 100           HA       PRO 100  -0.974 -16.233   5.761
  780   1HB   PRO 100          1HB       PRO 100   0.298 -14.945   3.669
  781   2HB   PRO 100          2HB       PRO 100  -1.432 -15.212   3.756
  782   1HG   PRO 100          1HG       PRO 100   0.068 -12.740   4.113
  783   2HG   PRO 100          2HG       PRO 100  -1.645 -12.961   3.819
  784   1HD   PRO 100          1HD       PRO 100  -0.378 -12.338   6.275
  785   2HD   PRO 100          2HD       PRO 100  -2.082 -12.633   5.995
  786    H    CYS 101           H        CYS 101   1.539 -13.615   5.543
  787    HA   CYS 101           HA       CYS 101   3.655 -15.579   5.744
  788   1HB   CYS 101          1HB       CYS 101   4.102 -12.686   6.170
  789   2HB   CYS 101          2HB       CYS 101   5.072 -13.848   5.288
  790    H    GLN 102           H        GLN 102   4.128 -16.567   7.597
  791    HA   GLN 102           HA       GLN 102   4.008 -15.034  10.132
  792   1HB   GLN 102          1HB       GLN 102   3.281 -17.916   9.705
  793   2HB   GLN 102          2HB       GLN 102   3.338 -17.102  11.256
  794   1HG   GLN 102          1HG       GLN 102   1.307 -16.187  10.957
  795   2HG   GLN 102          2HG       GLN 102   1.691 -15.678   9.325
  796   1HE2  GLN 102          2HE2      GLN 102  -0.616 -17.239  10.793
  797   2HE2  GLN 102          1HE2      GLN 102  -0.923 -18.571   9.700
  798    H    MET 103           H        MET 103   5.238 -16.382  11.864
  799    HA   MET 103           HA       MET 103   7.943 -16.870  10.838
  800   1HB   MET 103          1HB       MET 103   6.895 -15.567  13.064
  801   2HB   MET 103          2HB       MET 103   7.667 -17.008  13.692
  802   1HG   MET 103          1HG       MET 103   9.553 -15.788  13.595
  803   2HG   MET 103          2HG       MET 103   9.510 -16.164  11.885
  804   1HE   MET 103          1HE       MET 103  10.752 -13.618  13.763
  805   2HE   MET 103          2HE       MET 103  11.256 -13.949  12.068
  806   3HE   MET 103          3HE       MET 103  10.659 -12.316  12.527
  Start of MODEL   10
    1    HA   PRO   1           HA       PRO   1  -2.434  -9.327  12.405
    2   1HB   PRO   1          1HB       PRO   1  -4.342  -7.389  12.599
    3   2HB   PRO   1          2HB       PRO   1  -4.658  -9.107  12.467
    4   1HG   PRO   1          1HG       PRO   1  -4.876  -7.361  14.828
    5   2HG   PRO   1          2HG       PRO   1  -5.593  -8.937  14.556
    6   1HD   PRO   1          1HD       PRO   1  -3.294  -8.326  16.122
    7   2HD   PRO   1          2HD       PRO   1  -3.972  -9.909  15.797
    8    H    TYR   2           H        TYR   2  -0.164  -8.593  12.864
    9    HA   TYR   2           HA       TYR   2   0.205  -5.944  11.923
   10   1HB   TYR   2          1HB       TYR   2   1.014  -4.865  13.937
   11   2HB   TYR   2          2HB       TYR   2  -0.649  -5.373  14.148
   12    HD1  TYR   2           1HD      TYR   2  -1.026  -7.680  15.351
   13    HD2  TYR   2           2HD      TYR   2   2.628  -5.411  15.524
   14    HE1  TYR   2           1HE      TYR   2  -0.355  -8.931  17.420
   15    HE2  TYR   2           2HE      TYR   2   3.354  -6.717  17.547
   16    HH   TYR   2           HH       TYR   2   2.768  -8.271  19.012
   17    H    GLY   3           H        GLY   3   1.516  -7.507  10.658
   18   1HA   GLY   3          1HA       GLY   3   4.149  -7.931  11.977
   19   2HA   GLY   3          2HA       GLY   3   3.451  -9.094  10.869
   20    H    ARG   4           H        ARG   4   5.937  -8.199  10.354
   21    HA   ARG   4           HA       ARG   4   5.490  -6.655   7.880
   22   1HB   ARG   4          1HB       ARG   4   6.336  -5.203   9.802
   23   2HB   ARG   4          2HB       ARG   4   7.840  -6.085   9.634
   24   1HG   ARG   4          1HG       ARG   4   8.047  -5.369   7.321
   25   2HG   ARG   4          2HG       ARG   4   6.486  -4.578   7.397
   26   1HD   ARG   4          1HD       ARG   4   8.912  -3.824   9.024
   27   2HD   ARG   4          2HD       ARG   4   8.315  -2.956   7.624
   28    HE   ARG   4           HE       ARG   4   6.569  -2.060   8.901
   29   1HH1  ARG   4          1HH2      ARG   4   8.334  -4.455  10.767
   30   2HH1  ARG   4          2HH2      ARG   4   7.533  -4.029  12.262
   31   1HH2  ARG   4          1HH1      ARG   4   5.546  -1.562  10.833
   32   2HH2  ARG   4          2HH1      ARG   4   5.978  -2.416  12.298
   33    H    GLY   5           H        GLY   5   7.234  -6.865   6.336
   34   1HA   GLY   5          1HA       GLY   5   9.191  -8.975   6.787
   35   2HA   GLY   5          2HA       GLY   5   7.960  -9.334   5.594
   36    H    ARG   6           H        ARG   6   9.997  -9.482   4.276
   37    HA   ARG   6           HA       ARG   6  10.124  -7.250   2.522
   38   1HB   ARG   6          1HB       ARG   6  11.490  -6.442   4.555
   39   2HB   ARG   6          2HB       ARG   6  12.681  -7.625   4.055
   40   1HG   ARG   6          1HG       ARG   6  13.062  -6.538   1.996
   41   2HG   ARG   6          2HG       ARG   6  11.590  -5.597   2.125
   42   1HD   ARG   6          1HD       ARG   6  13.751  -5.279   4.172
   43   2HD   ARG   6          2HD       ARG   6  13.881  -4.456   2.630
   44    HE   ARG   6           HE       ARG   6  11.314  -4.049   3.927
   45   1HH1  ARG   6          1HH2      ARG   6  14.614  -2.899   3.764
   46   2HH1  ARG   6          2HH2      ARG   6  14.197  -1.302   4.343
   47   1HH2  ARG   6          1HH1      ARG   6  10.804  -1.992   4.660
   48   2HH2  ARG   6          2HH1      ARG   6  12.065  -0.794   4.844
   49    H    THR   7           H        THR   7  11.052  -7.782   0.625
   50    HA   THR   7           HA       THR   7  12.868 -10.011   0.378
   51    HB   THR   7           HB       THR   7  11.124 -11.277  -1.099
   52    HG1  THR   7           1HG      THR   7   8.990 -10.877  -0.287
   53   1HG2  THR   7          1HG2      THR   7  11.969 -12.166   1.107
   54   2HG2  THR   7          2HG2      THR   7  10.708 -11.183   1.930
   55   3HG2  THR   7          3HG2      THR   7  10.229 -12.529   0.838
   56    H    GLU   8           H        GLU   8  13.614 -10.318  -1.766
   57    HA   GLU   8           HA       GLU   8  14.021  -7.926  -3.159
   58   1HB   GLU   8          1HB       GLU   8  14.203 -10.712  -4.289
   59   2HB   GLU   8          2HB       GLU   8  14.977  -9.278  -4.932
   60   1HG   GLU   8          1HG       GLU   8  15.557  -9.800  -2.104
   61   2HG   GLU   8          2HG       GLU   8  16.155 -11.028  -3.201
   62    H    SER   9           H        SER   9  13.583  -8.234  -5.799
   63    HA   SER   9           HA       SER   9  11.017  -7.296  -6.203
   64   1HB   SER   9          1HB       SER   9  11.680  -8.634  -8.559
   65   2HB   SER   9          2HB       SER   9  11.924  -6.940  -8.190
   66    HG   SER   9           HG       SER   9  13.856  -7.982  -8.838
   67    H    GLY  10           H        GLY  10   9.027  -8.104  -6.482
   68   1HA   GLY  10          1HA       GLY  10   8.682 -10.970  -6.991
   69   2HA   GLY  10          2HA       GLY  10   8.075 -10.371  -5.461
   70    H    CYS  11           H        CYS  11   6.228  -9.173  -5.366
   71    HA   CYS  11           HA       CYS  11   4.719  -8.994  -7.904
   72   1HB   CYS  11          1HB       CYS  11   4.010  -9.407  -5.090
   73   2HB   CYS  11          2HB       CYS  11   2.935  -8.359  -5.993
   74    H    TYR  12           H        TYR  12   6.297  -7.134  -5.460
   75    HA   TYR  12           HA       TYR  12   5.162  -4.685  -5.384
   76   1HB   TYR  12          1HB       TYR  12   7.196  -4.958  -4.310
   77   2HB   TYR  12          2HB       TYR  12   7.956  -5.659  -5.724
   78    HD1  TYR  12           1HD      TYR  12   9.645  -4.401  -6.671
   79    HD2  TYR  12           2HD      TYR  12   6.263  -2.415  -4.889
   80    HE1  TYR  12           1HE      TYR  12  10.654  -2.171  -7.241
   81    HE2  TYR  12           2HE      TYR  12   7.292  -0.180  -5.401
   82    HH   TYR  12           HH       TYR  12   9.006   0.865  -6.388
   83    H    GLN  13           H        GLN  13   7.343  -5.768  -8.000
   84    HA   GLN  13           HA       GLN  13   7.135  -3.459  -9.573
   85   1HB   GLN  13          1HB       GLN  13   8.833  -5.089 -10.022
   86   2HB   GLN  13          2HB       GLN  13   7.631  -6.321 -10.348
   87   1HG   GLN  13          1HG       GLN  13   7.407  -5.654 -12.478
   88   2HG   GLN  13          2HG       GLN  13   7.204  -3.982 -11.996
   89   1HE2  GLN  13          2HE2      GLN  13   8.693  -5.313 -14.232
   90   2HE2  GLN  13          1HE2      GLN  13  10.339  -4.734 -14.103
   91    H    GLN  14           H        GLN  14   5.101  -6.331  -9.426
   92    HA   GLN  14           HA       GLN  14   3.400  -5.562 -11.589
   93   1HB   GLN  14          1HB       GLN  14   3.325  -7.666  -9.484
   94   2HB   GLN  14          2HB       GLN  14   1.865  -7.310 -10.384
   95   1HG   GLN  14          1HG       GLN  14   3.221  -9.139 -11.402
   96   2HG   GLN  14          2HG       GLN  14   2.978  -7.780 -12.480
   97   1HE2  GLN  14          2HE2      GLN  14   5.205  -8.329  -9.749
   98   2HE2  GLN  14          1HE2      GLN  14   6.679  -8.044 -10.648
   99    H    MET  15           H        MET  15   3.532  -4.815  -8.206
  100    HA   MET  15           HA       MET  15   0.876  -3.999  -7.773
  101   1HB   MET  15          1HB       MET  15   3.310  -4.012  -6.356
  102   2HB   MET  15          2HB       MET  15   2.740  -2.356  -6.357
  103   1HG   MET  15          1HG       MET  15   1.376  -2.920  -4.692
  104   2HG   MET  15          2HG       MET  15   0.477  -3.882  -5.848
  105   1HE   MET  15          1HE       MET  15   3.834  -3.957  -3.856
  106   2HE   MET  15          2HE       MET  15   2.452  -3.756  -2.724
  107   3HE   MET  15          3HE       MET  15   3.433  -5.263  -2.686
  108    H    GLU  16           H        GLU  16   3.759  -1.984  -8.480
  109    HA   GLU  16           HA       GLU  16   2.452   0.437  -8.734
  110   1HB   GLU  16          1HB       GLU  16   4.384   1.221  -9.695
  111   2HB   GLU  16          2HB       GLU  16   4.972  -0.243  -8.933
  112   1HG   GLU  16          1HG       GLU  16   4.617  -1.416 -11.123
  113   2HG   GLU  16          2HG       GLU  16   4.284   0.151 -11.834
  114    H    GLU  17           H        GLU  17   2.746  -2.182 -11.098
  115    HA   GLU  17           HA       GLU  17   1.641  -0.724 -13.280
  116   1HB   GLU  17          1HB       GLU  17   3.029  -2.822 -13.431
  117   2HB   GLU  17          2HB       GLU  17   1.608  -3.703 -12.910
  118   1HG   GLU  17          1HG       GLU  17   0.667  -3.575 -14.952
  119   2HG   GLU  17          2HG       GLU  17   1.012  -1.862 -15.081
  120    H    ALA  18           H        ALA  18   0.323  -2.463 -10.573
  121    HA   ALA  18           HA       ALA  18  -2.382  -1.792 -11.503
  122   1HB   ALA  18          1HB       ALA  18  -2.015  -4.186 -11.793
  123   2HB   ALA  18          2HB       ALA  18  -1.472  -4.313 -10.085
  124   3HB   ALA  18          3HB       ALA  18  -3.178  -3.888 -10.455
  125    H    GLU  19           H        GLU  19  -1.045   0.072 -10.062
  126    HA   GLU  19           HA       GLU  19  -0.747  -0.092  -7.368
  127   1HB   GLU  19          1HB       GLU  19  -0.703   1.905  -9.192
  128   2HB   GLU  19          2HB       GLU  19  -2.128   2.333  -8.267
  129   1HG   GLU  19          1HG       GLU  19  -0.847   2.317  -6.202
  130   2HG   GLU  19          2HG       GLU  19   0.575   1.743  -7.052
  131    H    MET  20           H        MET  20  -2.145  -1.392  -6.234
  132    HA   MET  20           HA       MET  20  -5.049  -1.004  -6.603
  133   1HB   MET  20          1HB       MET  20  -5.206  -2.995  -5.136
  134   2HB   MET  20          2HB       MET  20  -4.282  -3.294  -6.595
  135   1HG   MET  20          1HG       MET  20  -2.537  -2.372  -4.534
  136   2HG   MET  20          2HG       MET  20  -3.489  -3.716  -3.936
  137   1HE   MET  20          1HE       MET  20  -3.840  -5.968  -5.430
  138   2HE   MET  20          2HE       MET  20  -4.049  -4.988  -6.923
  139   3HE   MET  20          3HE       MET  20  -2.830  -6.309  -6.877
  140    H    LEU  21           H        LEU  21  -2.362  -0.439  -4.447
  141    HA   LEU  21           HA       LEU  21  -4.125   0.322  -2.244
  142   1HB   LEU  21          1HB       LEU  21  -1.215  -0.110  -2.584
  143   2HB   LEU  21          2HB       LEU  21  -1.783   0.885  -1.258
  144    HG   LEU  21           HG       LEU  21  -1.351  -1.500  -0.699
  145   1HD1  LEU  21          1HD1      LEU  21  -2.718  -0.113   0.751
  146   2HD1  LEU  21          2HD1      LEU  21  -4.167  -0.484  -0.247
  147   3HD1  LEU  21          3HD1      LEU  21  -3.366  -1.789   0.695
  148   1HD2  LEU  21          1HD2      LEU  21  -3.807  -2.005  -2.358
  149   2HD2  LEU  21          2HD2      LEU  21  -2.137  -2.572  -2.705
  150   3HD2  LEU  21          3HD2      LEU  21  -3.013  -3.188  -1.261
  151    H    ASN  22           H        ASN  22  -3.539   1.662  -5.052
  152    HA   ASN  22           HA       ASN  22  -2.689   4.313  -4.257
  153   1HB   ASN  22          1HB       ASN  22  -2.187   3.738  -6.478
  154   2HB   ASN  22          2HB       ASN  22  -3.793   3.094  -6.756
  155   1HD2  ASN  22          2HD2      ASN  22  -2.417   6.156  -5.553
  156   2HD2  ASN  22          1HD2      ASN  22  -3.418   7.203  -6.535
  157    H    HIS  23           H        HIS  23  -5.658   2.501  -4.541
  158    HA   HIS  23           HA       HIS  23  -7.318   4.898  -4.520
  159   1HB   HIS  23          1HB       HIS  23  -8.150   2.025  -4.322
  160   2HB   HIS  23          2HB       HIS  23  -9.166   3.398  -4.712
  161    HD1  HIS  23           1HD      HIS  23  -9.704   3.510  -7.165
  162    HD2  HIS  23           2HD      HIS  23  -5.907   1.886  -6.369
  163    HE1  HIS  23           1HE      HIS  23  -8.729   2.836  -9.436
  164    HE2  HIS  23           2HE      HIS  23  -6.380   1.899  -8.936
  165    H    CYS  24           H        CYS  24  -6.866   2.003  -2.458
  166    HA   CYS  24           HA       CYS  24  -8.196   3.191  -0.223
  167   1HB   CYS  24          1HB       CYS  24  -6.661   0.732  -0.730
  168   2HB   CYS  24          2HB       CYS  24  -6.699   1.290   0.931
  169    H    GLY  25           H        GLY  25  -5.094   3.600  -1.593
  170   1HA   GLY  25          1HA       GLY  25  -3.705   4.376   0.802
  171   2HA   GLY  25          2HA       GLY  25  -3.175   4.606  -0.852
  172    H    MET  26           H        MET  26  -5.205   6.112  -1.935
  173    HA   MET  26           HA       MET  26  -4.561   8.718  -1.124
  174   1HB   MET  26          1HB       MET  26  -6.671   7.456  -2.794
  175   2HB   MET  26          2HB       MET  26  -6.880   9.133  -2.333
  176   1HG   MET  26          1HG       MET  26  -5.038   9.834  -3.533
  177   2HG   MET  26          2HG       MET  26  -4.256   8.268  -3.444
  178   1HE   MET  26          1HE       MET  26  -7.795   9.619  -4.575
  179   2HE   MET  26          2HE       MET  26  -6.543  10.647  -5.356
  180   3HE   MET  26          3HE       MET  26  -7.578   9.573  -6.360
  181    H    TYR  27           H        TYR  27  -7.389   6.694  -0.342
  182    HA   TYR  27           HA       TYR  27  -8.938   8.459   1.097
  183   1HB   TYR  27          1HB       TYR  27  -9.338   6.064   0.511
  184   2HB   TYR  27          2HB       TYR  27  -8.273   5.622   1.830
  185    HD1  TYR  27           1HD      TYR  27  -9.304   4.911   3.765
  186    HD2  TYR  27           2HD      TYR  27 -11.215   7.882   1.296
  187    HE1  TYR  27           1HE      TYR  27 -11.252   4.974   5.357
  188    HE2  TYR  27           2HE      TYR  27 -13.160   7.962   2.889
  189    HH   TYR  27           HH       TYR  27 -14.028   7.134   4.753
  190    H    LEU  28           H        LEU  28  -5.977   6.836   2.071
  191    HA   LEU  28           HA       LEU  28  -6.204   7.907   4.790
  192   1HB   LEU  28          1HB       LEU  28  -3.885   6.307   3.908
  193   2HB   LEU  28          2HB       LEU  28  -4.697   6.345   5.460
  194    HG   LEU  28           HG       LEU  28  -6.265   5.248   3.254
  195   1HD1  LEU  28          1HD1      LEU  28  -4.102   4.353   2.615
  196   2HD1  LEU  28          2HD1      LEU  28  -3.849   3.754   4.292
  197   3HD1  LEU  28          3HD1      LEU  28  -5.154   3.053   3.273
  198   1HD2  LEU  28          1HD2      LEU  28  -5.703   4.317   6.063
  199   2HD2  LEU  28          2HD2      LEU  28  -7.122   5.271   5.508
  200   3HD2  LEU  28          3HD2      LEU  28  -6.893   3.584   4.932
  201    H    MET  29           H        MET  29  -4.585   8.400   1.774
  202    HA   MET  29           HA       MET  29  -2.649  10.257   2.882
  203   1HB   MET  29          1HB       MET  29  -2.688   8.588   0.696
  204   2HB   MET  29          2HB       MET  29  -2.880  10.189   0.010
  205   1HG   MET  29          1HG       MET  29  -0.874  10.151   2.089
  206   2HG   MET  29          2HG       MET  29  -0.502   9.014   0.809
  207   1HE   MET  29          1HE       MET  29  -1.329  12.715   1.730
  208   2HE   MET  29          2HE       MET  29   0.379  12.239   2.026
  209   3HE   MET  29          3HE       MET  29  -0.006  13.479   0.781
  210    H    LYS  30           H        LYS  30  -5.805  10.543   2.538
  211    HA   LYS  30           HA       LYS  30  -5.966  12.925   0.907
  212   1HB   LYS  30          1HB       LYS  30  -7.793  11.272   0.971
  213   2HB   LYS  30          2HB       LYS  30  -8.038  11.632   2.669
  214   1HG   LYS  30          1HG       LYS  30  -7.991  14.044   1.037
  215   2HG   LYS  30          2HG       LYS  30  -9.251  12.938   0.532
  216   1HD   LYS  30          1HD       LYS  30 -10.198  12.895   2.742
  217   2HD   LYS  30          2HD       LYS  30  -8.837  13.781   3.399
  218   1HE   LYS  30          1HE       LYS  30  -9.462  15.770   2.227
  219   2HE   LYS  30          2HE       LYS  30 -10.660  14.908   1.283
  220   1HZ   LYS  30          1HZ       LYS  30 -11.878  14.499   3.290
  221   2HZ   LYS  30          2HZ       LYS  30 -10.746  15.315   4.182
  222   3HZ   LYS  30          3HZ       LYS  30 -11.662  16.126   3.066
  223    H    ASN  31           H        ASN  31  -5.457  12.031   4.216
  224    HA   ASN  31           HA       ASN  31  -5.693  14.861   5.041
  225   1HB   ASN  31          1HB       ASN  31  -6.587  12.565   6.245
  226   2HB   ASN  31          2HB       ASN  31  -5.081  12.873   7.085
  227   1HD2  ASN  31          2HD2      ASN  31  -7.775  12.980   8.109
  228   2HD2  ASN  31          1HD2      ASN  31  -8.055  14.615   8.664
  229    H    LEU  32           H        LEU  32  -3.462  12.607   3.979
  230    HA   LEU  32           HA       LEU  32  -1.281  13.541   5.670
  231   1HB   LEU  32          1HB       LEU  32  -1.361  11.607   3.384
  232   2HB   LEU  32          2HB       LEU  32   0.069  11.974   4.327
  233    HG   LEU  32           HG       LEU  32  -2.431  10.889   5.549
  234   1HD1  LEU  32          1HD1      LEU  32  -1.720   9.304   3.847
  235   2HD1  LEU  32          2HD1      LEU  32  -0.051   9.334   4.513
  236   3HD1  LEU  32          3HD1      LEU  32  -1.398   8.656   5.492
  237   1HD2  LEU  32          1HD2      LEU  32   0.442  10.971   6.489
  238   2HD2  LEU  32          2HD2      LEU  32  -0.910  11.994   7.089
  239   3HD2  LEU  32          3HD2      LEU  32  -0.930  10.218   7.376
  240    H    GLY  33           H        GLY  33  -2.862  14.510   2.828
  241   1HA   GLY  33          1HA       GLY  33  -0.680  15.624   1.373
  242   2HA   GLY  33          2HA       GLY  33  -2.368  16.065   1.215
  243    H    GLU  34           H        GLU  34  -2.650  16.745   4.062
  244    HA   GLU  34           HA       GLU  34  -0.804  18.993   4.389
  245   1HB   GLU  34          1HB       GLU  34  -3.059  19.545   3.090
  246   2HB   GLU  34          2HB       GLU  34  -3.671  19.641   4.729
  247   1HG   GLU  34          1HG       GLU  34  -2.896  21.767   4.689
  248   2HG   GLU  34          2HG       GLU  34  -1.320  21.037   4.925
  249    H    ARG  35           H        ARG  35  -2.442  20.232   6.420
  250    HA   ARG  35           HA       ARG  35  -3.425  18.609   8.416
  251   1HB   ARG  35          1HB       ARG  35  -0.620  18.198   8.119
  252   2HB   ARG  35          2HB       ARG  35  -0.894  19.034   9.634
  253   1HG   ARG  35          1HG       ARG  35  -2.696  17.301  10.108
  254   2HG   ARG  35          2HG       ARG  35  -2.061  16.406   8.742
  255   1HD   ARG  35          1HD       ARG  35  -0.658  15.463  10.232
  256   2HD   ARG  35          2HD       ARG  35   0.212  16.983  10.168
  257    HE   ARG  35           HE       ARG  35  -1.901  17.197  12.065
  258   1HH1  ARG  35          1HH2      ARG  35   1.203  15.647  11.673
  259   2HH1  ARG  35          2HH2      ARG  35   1.517  15.595  13.393
  260   1HH2  ARG  35          1HH1      ARG  35  -1.488  17.123  14.266
  261   2HH2  ARG  35          2HH1      ARG  35   0.006  16.424  14.849
  262    H    SER  36           H        SER  36  -0.757  20.980   8.375
  263    HA   SER  36           HA       SER  36  -1.531  22.514  10.530
  264   1HB   SER  36          1HB       SER  36   0.362  22.743   8.515
  265   2HB   SER  36          2HB       SER  36  -0.605  24.195   8.356
  266    HG   SER  36           HG       SER  36   1.141  24.461   9.817
  267    H    GLN  37           H        GLN  37  -2.204  23.445   7.146
  268    HA   GLN  37           HA       GLN  37  -4.758  24.600   8.086
  269   1HB   GLN  37          1HB       GLN  37  -2.723  25.723   6.222
  270   2HB   GLN  37          2HB       GLN  37  -4.408  26.186   6.084
  271   1HG   GLN  37          1HG       GLN  37  -4.424  26.994   8.360
  272   2HG   GLN  37          2HG       GLN  37  -2.798  26.398   8.622
  273   1HE2  GLN  37          2HE2      GLN  37  -4.603  29.077   7.978
  274   2HE2  GLN  37          1HE2      GLN  37  -3.384  30.095   7.244
  275    H    VAL  38           H        VAL  38  -5.787  22.629   7.634
  276    HA   VAL  38           HA       VAL  38  -5.735  21.543   4.973
  277    HB   VAL  38           HB       VAL  38  -7.510  20.093   5.762
  278   1HG1  VAL  38          1HG1      VAL  38  -5.193  19.491   6.250
  279   2HG1  VAL  38          2HG1      VAL  38  -5.262  20.455   7.767
  280   3HG1  VAL  38          3HG1      VAL  38  -6.278  18.981   7.590
  281   1HG2  VAL  38          1HG2      VAL  38  -7.436  21.759   8.295
  282   2HG2  VAL  38          2HG2      VAL  38  -8.791  21.680   7.114
  283   3HG2  VAL  38          3HG2      VAL  38  -8.348  20.225   8.075
  284    H    SER  39           H        SER  39  -7.767  21.261   3.683
  285    HA   SER  39           HA       SER  39  -9.926  23.057   3.913
  286   1HB   SER  39          1HB       SER  39  -7.749  24.506   3.228
  287   2HB   SER  39          2HB       SER  39  -8.348  24.055   1.644
  288    HG   SER  39           HG       SER  39  -9.274  26.017   2.405
  289    HA   PRO  40           HA       PRO  40 -10.302  19.704   0.914
  290   1HB   PRO  40          1HB       PRO  40 -12.588  18.593   1.964
  291   2HB   PRO  40          2HB       PRO  40 -10.958  18.077   2.340
  292   1HG   PRO  40          1HG       PRO  40 -12.826  19.644   3.988
  293   2HG   PRO  40          2HG       PRO  40 -11.403  18.754   4.486
  294   1HD   PRO  40          1HD       PRO  40 -11.631  21.574   4.138
  295   2HD   PRO  40          2HD       PRO  40 -10.180  20.672   4.527
  296    H    ARG  41           H        ARG  41 -10.642  21.695  -0.374
  297    HA   ARG  41           HA       ARG  41 -13.024  23.075  -0.605
  298   1HB   ARG  41          1HB       ARG  41 -10.684  22.693  -2.193
  299   2HB   ARG  41          2HB       ARG  41 -12.093  22.650  -3.233
  300   1HG   ARG  41          1HG       ARG  41 -12.508  24.844  -2.949
  301   2HG   ARG  41          2HG       ARG  41 -12.182  24.773  -1.229
  302   1HD   ARG  41          1HD       ARG  41 -10.006  25.381  -1.486
  303   2HD   ARG  41          2HD       ARG  41  -9.825  24.479  -2.977
  304    HE   ARG  41           HE       ARG  41 -10.295  26.400  -4.167
  305   1HH1  ARG  41          1HH2      ARG  41 -11.494  26.797  -0.896
  306   2HH1  ARG  41          2HH2      ARG  41 -11.967  28.459  -1.162
  307   1HH2  ARG  41          1HH1      ARG  41 -10.918  28.532  -4.478
  308   2HH2  ARG  41          2HH1      ARG  41 -11.645  29.430  -3.165
  309    H    MET  42           H        MET  42 -12.121  20.547  -2.933
  310    HA   MET  42           HA       MET  42 -14.833  19.429  -2.753
  311   1HB   MET  42          1HB       MET  42 -13.626  20.144  -5.399
  312   2HB   MET  42          2HB       MET  42 -15.257  19.594  -5.070
  313   1HG   MET  42          1HG       MET  42 -15.333  21.766  -3.582
  314   2HG   MET  42          2HG       MET  42 -14.053  22.282  -4.661
  315   1HE   MET  42          1HE       MET  42 -15.836  24.319  -5.126
  316   2HE   MET  42          2HE       MET  42 -14.669  23.851  -6.411
  317   3HE   MET  42          3HE       MET  42 -16.384  24.189  -6.834
  318    H    ARG  43           H        ARG  43 -14.389  17.413  -2.158
  319    HA   ARG  43           HA       ARG  43 -13.045  15.676  -4.021
  320   1HB   ARG  43          1HB       ARG  43 -11.356  16.927  -2.230
  321   2HB   ARG  43          2HB       ARG  43 -11.688  15.387  -1.464
  322   1HG   ARG  43          1HG       ARG  43 -10.841  14.168  -3.289
  323   2HG   ARG  43          2HG       ARG  43 -10.929  15.549  -4.361
  324   1HD   ARG  43          1HD       ARG  43  -9.209  15.935  -2.005
  325   2HD   ARG  43          2HD       ARG  43  -8.646  14.713  -3.127
  326    HE   ARG  43           HE       ARG  43  -8.494  17.528  -3.505
  327   1HH1  ARG  43          1HH2      ARG  43  -9.264  14.612  -5.296
  328   2HH1  ARG  43          2HH2      ARG  43  -8.818  15.313  -6.836
  329   1HH2  ARG  43          1HH1      ARG  43  -7.945  18.404  -5.498
  330   2HH2  ARG  43          2HH1      ARG  43  -8.080  17.434  -6.948
  331    H    GLU  44           H        GLU  44 -14.514  14.136  -4.049
  332    HA   GLU  44           HA       GLU  44 -15.035  12.696  -1.576
  333   1HB   GLU  44          1HB       GLU  44 -16.767  14.573  -1.757
  334   2HB   GLU  44          2HB       GLU  44 -17.433  13.650  -3.087
  335   1HG   GLU  44          1HG       GLU  44 -17.391  11.658  -1.423
  336   2HG   GLU  44          2HG       GLU  44 -17.245  12.895  -0.190
  337    H    GLU  45           H        GLU  45 -14.160  10.868  -2.364
  338    HA   GLU  45           HA       GLU  45 -15.516   9.749  -4.746
  339   1HB   GLU  45          1HB       GLU  45 -12.853  10.347  -4.526
  340   2HB   GLU  45          2HB       GLU  45 -12.900   8.632  -4.169
  341   1HG   GLU  45          1HG       GLU  45 -12.754   8.523  -6.453
  342   2HG   GLU  45          2HG       GLU  45 -14.496   8.610  -6.291
  343    H    ASP  46           H        ASP  46 -14.147   7.196  -4.417
  344    HA   ASP  46           HA       ASP  46 -15.180   6.180  -1.868
  345   1HB   ASP  46          1HB       ASP  46 -16.434   5.762  -4.456
  346   2HB   ASP  46          2HB       ASP  46 -15.975   4.262  -3.676
  347    H    HIS  47           H        HIS  47 -13.386   5.263  -1.067
  348    HA   HIS  47           HA       HIS  47 -11.896   3.449  -2.864
  349   1HB   HIS  47          1HB       HIS  47 -10.437   4.871  -0.737
  350   2HB   HIS  47          2HB       HIS  47  -9.867   4.257  -2.276
  351    HD1  HIS  47           1HD      HIS  47 -11.760   7.210  -0.804
  352    HD2  HIS  47           2HD      HIS  47  -9.777   6.024  -4.327
  353    HE1  HIS  47           1HE      HIS  47 -11.582   9.308  -2.262
  354    HE2  HIS  47           2HE      HIS  47 -10.372   8.566  -4.417
  355    H    LYS  48           H        LYS  48 -12.190   1.473  -2.229
  356    HA   LYS  48           HA       LYS  48 -11.457   0.480   0.268
  357   1HB   LYS  48          1HB       LYS  48 -13.836   1.845   0.550
  358   2HB   LYS  48          2HB       LYS  48 -14.350   0.179   0.379
  359   1HG   LYS  48          1HG       LYS  48 -12.597  -0.401   2.133
  360   2HG   LYS  48          2HG       LYS  48 -12.450   1.321   2.422
  361   1HD   LYS  48          1HD       LYS  48 -14.365   1.385   3.606
  362   2HD   LYS  48          2HD       LYS  48 -15.224   0.434   2.409
  363   1HE   LYS  48          1HE       LYS  48 -15.163  -0.759   4.535
  364   2HE   LYS  48          2HE       LYS  48 -14.214  -1.618   3.340
  365   1HZ   LYS  48          1HZ       LYS  48 -12.251  -0.622   4.254
  366   2HZ   LYS  48          2HZ       LYS  48 -13.150   0.190   5.384
  367   3HZ   LYS  48          3HZ       LYS  48 -13.070  -1.464   5.422
  368    H    GLN  49           H        GLN  49 -13.578   0.235  -2.514
  369    HA   GLN  49           HA       GLN  49 -13.218  -2.703  -2.496
  370   1HB   GLN  49          1HB       GLN  49 -15.430  -1.075  -3.079
  371   2HB   GLN  49          2HB       GLN  49 -14.909  -1.762  -4.605
  372   1HG   GLN  49          1HG       GLN  49 -15.288  -3.939  -3.909
  373   2HG   GLN  49          2HG       GLN  49 -15.110  -3.536  -2.214
  374   1HE2  GLN  49          2HE2      GLN  49 -17.215  -5.058  -3.505
  375   2HE2  GLN  49          1HE2      GLN  49 -18.713  -4.213  -3.185
  376    H    LEU  50           H        LEU  50 -12.163   0.203  -3.990
  377    HA   LEU  50           HA       LEU  50 -11.377  -0.993  -6.491
  378   1HB   LEU  50          1HB       LEU  50 -11.111   1.623  -5.154
  379   2HB   LEU  50          2HB       LEU  50  -9.931   1.237  -6.389
  380    HG   LEU  50           HG       LEU  50 -12.851   0.954  -6.949
  381   1HD1  LEU  50          1HD1      LEU  50 -12.592   3.214  -6.046
  382   2HD1  LEU  50          2HD1      LEU  50 -11.231   3.508  -7.183
  383   3HD1  LEU  50          3HD1      LEU  50 -12.896   3.266  -7.818
  384   1HD2  LEU  50          1HD2      LEU  50 -10.455   1.569  -8.705
  385   2HD2  LEU  50          2HD2      LEU  50 -11.284  -0.020  -8.562
  386   3HD2  LEU  50          3HD2      LEU  50 -12.151   1.384  -9.274
  387    H    CYS  51           H        CYS  51 -10.045  -0.701  -3.286
  388    HA   CYS  51           HA       CYS  51  -7.378  -1.494  -4.166
  389   1HB   CYS  51          1HB       CYS  51  -6.766  -1.323  -1.880
  390   2HB   CYS  51          2HB       CYS  51  -7.697   0.091  -2.329
  391    H    CYS  52           H        CYS  52 -10.173  -2.840  -2.431
  392    HA   CYS  52           HA       CYS  52  -8.951  -5.402  -2.044
  393   1HB   CYS  52          1HB       CYS  52 -11.009  -4.239  -0.886
  394   2HB   CYS  52          2HB       CYS  52 -11.888  -5.111  -2.126
  395    H    MET  53           H        MET  53  -9.981  -3.793  -4.768
  396    HA   MET  53           HA       MET  53 -11.089  -6.019  -6.216
  397   1HB   MET  53          1HB       MET  53 -11.843  -3.854  -6.841
  398   2HB   MET  53          2HB       MET  53 -10.204  -3.249  -6.972
  399   1HG   MET  53          1HG       MET  53 -11.320  -3.735  -9.171
  400   2HG   MET  53          2HG       MET  53  -9.794  -4.562  -8.929
  401   1HE   MET  53          1HE       MET  53  -9.877  -6.572 -10.418
  402   2HE   MET  53          2HE       MET  53  -9.438  -7.060  -8.743
  403   3HE   MET  53          3HE       MET  53 -10.576  -8.067  -9.704
  404    H    GLN  54           H        GLN  54  -8.367  -3.964  -7.213
  405    HA   GLN  54           HA       GLN  54  -7.160  -5.924  -8.799
  406   1HB   GLN  54          1HB       GLN  54  -6.264  -3.374  -7.566
  407   2HB   GLN  54          2HB       GLN  54  -5.056  -4.429  -8.272
  408   1HG   GLN  54          1HG       GLN  54  -5.584  -3.673 -10.300
  409   2HG   GLN  54          2HG       GLN  54  -7.219  -4.265 -10.093
  410   1HE2  GLN  54          2HE2      GLN  54  -8.516  -2.730 -10.830
  411   2HE2  GLN  54          1HE2      GLN  54  -8.493  -1.058 -10.314
  412    H    LEU  55           H        LEU  55  -7.060  -5.380  -5.348
  413    HA   LEU  55           HA       LEU  55  -4.713  -6.755  -4.708
  414   1HB   LEU  55          1HB       LEU  55  -7.221  -6.092  -3.326
  415   2HB   LEU  55          2HB       LEU  55  -6.199  -7.317  -2.602
  416    HG   LEU  55           HG       LEU  55  -5.143  -4.627  -3.374
  417   1HD1  LEU  55          1HD1      LEU  55  -7.008  -4.185  -1.859
  418   2HD1  LEU  55          2HD1      LEU  55  -6.347  -5.379  -0.689
  419   3HD1  LEU  55          3HD1      LEU  55  -5.442  -3.866  -1.038
  420   1HD2  LEU  55          1HD2      LEU  55  -4.173  -6.695  -1.390
  421   2HD2  LEU  55          2HD2      LEU  55  -3.457  -6.338  -3.000
  422   3HD2  LEU  55          3HD2      LEU  55  -3.403  -5.099  -1.698
  423    H    LYS  56           H        LYS  56  -7.932  -7.933  -5.507
  424    HA   LYS  56           HA       LYS  56  -7.213 -10.686  -5.017
  425   1HB   LYS  56          1HB       LYS  56  -9.459 -10.012  -4.605
  426   2HB   LYS  56          2HB       LYS  56  -9.634  -9.422  -6.245
  427   1HG   LYS  56          1HG       LYS  56 -10.003 -11.492  -7.081
  428   2HG   LYS  56          2HG       LYS  56  -8.783 -12.225  -6.058
  429   1HD   LYS  56          1HD       LYS  56 -10.265 -12.617  -4.342
  430   2HD   LYS  56          2HD       LYS  56 -11.322 -11.302  -4.813
  431   1HE   LYS  56          1HE       LYS  56 -11.035 -13.538  -6.736
  432   2HE   LYS  56          2HE       LYS  56 -11.935 -13.867  -5.269
  433   1HZ   LYS  56          1HZ       LYS  56 -13.315 -11.985  -5.751
  434   2HZ   LYS  56          2HZ       LYS  56 -12.464 -11.673  -7.136
  435   3HZ   LYS  56          3HZ       LYS  56 -13.353 -13.065  -7.006
  436    H    ASN  57           H        ASN  57  -6.195  -8.610  -7.273
  437    HA   ASN  57           HA       ASN  57  -6.244 -10.497  -9.515
  438   1HB   ASN  57          1HB       ASN  57  -6.324  -7.711  -9.333
  439   2HB   ASN  57          2HB       ASN  57  -4.725  -8.086  -9.941
  440   1HD2  ASN  57          2HD2      ASN  57  -6.890  -6.748 -11.285
  441   2HD2  ASN  57          1HD2      ASN  57  -7.303  -7.717 -12.683
  442    H    LEU  58           H        LEU  58  -4.155  -9.125  -7.066
  443    HA   LEU  58           HA       LEU  58  -1.715 -10.016  -8.288
  444   1HB   LEU  58          1HB       LEU  58  -2.523  -8.672  -5.811
  445   2HB   LEU  58          2HB       LEU  58  -1.055  -9.623  -5.713
  446    HG   LEU  58           HG       LEU  58  -1.579  -7.405  -7.673
  447   1HD1  LEU  58          1HD1      LEU  58  -1.312  -6.572  -5.389
  448   2HD1  LEU  58          2HD1      LEU  58   0.207  -7.519  -5.223
  449   3HD1  LEU  58          3HD1      LEU  58   0.122  -6.154  -6.391
  450   1HD2  LEU  58          1HD2      LEU  58   0.942  -9.016  -7.175
  451   2HD2  LEU  58          2HD2      LEU  58  -0.103  -9.113  -8.633
  452   3HD2  LEU  58          3HD2      LEU  58   0.800  -7.601  -8.274
  453    H    ASP  59           H        ASP  59  -0.286 -11.284  -6.391
  454    HA   ASP  59           HA       ASP  59  -1.474 -13.955  -6.466
  455   1HB   ASP  59          1HB       ASP  59   1.098 -12.961  -6.675
  456   2HB   ASP  59          2HB       ASP  59   1.053 -13.688  -5.083
  457    H    GLU  60           H        GLU  60  -1.957 -15.208  -4.675
  458    HA   GLU  60           HA       GLU  60  -2.911 -13.846  -2.383
  459   1HB   GLU  60          1HB       GLU  60  -3.556 -16.164  -3.322
  460   2HB   GLU  60          2HB       GLU  60  -2.201 -16.752  -2.380
  461   1HG   GLU  60          1HG       GLU  60  -3.220 -16.286  -0.368
  462   2HG   GLU  60          2HG       GLU  60  -4.161 -14.965  -1.031
  463    H    LYS  61           H        LYS  61   0.099 -15.582  -3.063
  464    HA   LYS  61           HA       LYS  61   1.106 -15.233  -0.381
  465   1HB   LYS  61          1HB       LYS  61   3.189 -16.137  -1.317
  466   2HB   LYS  61          2HB       LYS  61   1.793 -17.139  -1.661
  467   1HG   LYS  61          1HG       LYS  61   1.829 -16.657  -3.906
  468   2HG   LYS  61          2HG       LYS  61   2.558 -15.083  -3.665
  469   1HD   LYS  61          1HD       LYS  61   4.711 -16.017  -3.347
  470   2HD   LYS  61          2HD       LYS  61   4.063 -17.633  -3.151
  471   1HE   LYS  61          1HE       LYS  61   3.179 -16.733  -5.668
  472   2HE   LYS  61          2HE       LYS  61   4.874 -16.300  -5.562
  473   1HZ   LYS  61          1HZ       LYS  61   5.363 -18.557  -4.971
  474   2HZ   LYS  61          2HZ       LYS  61   3.761 -18.965  -5.070
  475   3HZ   LYS  61          3HZ       LYS  61   4.583 -18.499  -6.431
  476    H    CYS  62           H        CYS  62   0.679 -13.169  -2.987
  477    HA   CYS  62           HA       CYS  62   2.927 -11.441  -2.289
  478   1HB   CYS  62          1HB       CYS  62   0.820 -11.338  -4.398
  479   2HB   CYS  62          2HB       CYS  62   1.946 -10.027  -4.109
  480    H    MET  63           H        MET  63  -0.163 -12.060  -1.185
  481    HA   MET  63           HA       MET  63  -0.849  -9.311  -0.543
  482   1HB   MET  63          1HB       MET  63  -2.132 -11.911   0.196
  483   2HB   MET  63          2HB       MET  63  -2.818 -10.317   0.438
  484   1HG   MET  63          1HG       MET  63  -2.382 -10.152  -2.154
  485   2HG   MET  63          2HG       MET  63  -2.523 -11.893  -2.032
  486   1HE   MET  63          1HE       MET  63  -4.647 -13.126  -2.163
  487   2HE   MET  63          2HE       MET  63  -4.592 -12.912  -0.379
  488   3HE   MET  63          3HE       MET  63  -6.122 -12.610  -1.275
  489    H    CYS  64           H        CYS  64   1.373  -9.263   0.599
  490    HA   CYS  64           HA       CYS  64   1.077  -8.954   3.310
  491   1HB   CYS  64          1HB       CYS  64   0.936 -11.025   4.145
  492   2HB   CYS  64          2HB       CYS  64   1.472 -11.760   2.647
  493    HA   PRO  65           HA       PRO  65   5.638  -9.038   2.168
  494   1HB   PRO  65          1HB       PRO  65   6.447 -10.206  -0.192
  495   2HB   PRO  65          2HB       PRO  65   6.467 -10.991   1.374
  496   1HG   PRO  65          1HG       PRO  65   4.623 -11.400  -0.874
  497   2HG   PRO  65          2HG       PRO  65   4.935 -12.443   0.498
  498   1HD   PRO  65          1HD       PRO  65   2.703 -10.734   0.115
  499   2HD   PRO  65          2HD       PRO  65   3.077 -11.682   1.540
  500    H    ALA  66           H        ALA  66   3.624  -8.897  -0.711
  501    HA   ALA  66           HA       ALA  66   5.074  -6.831  -1.996
  502   1HB   ALA  66          1HB       ALA  66   3.522  -8.320  -3.175
  503   2HB   ALA  66          2HB       ALA  66   2.160  -7.647  -2.213
  504   3HB   ALA  66          3HB       ALA  66   3.043  -6.599  -3.378
  505    H    ILE  67           H        ILE  67   2.227  -6.814   0.165
  506    HA   ILE  67           HA       ILE  67   1.467  -4.229   0.164
  507    HB   ILE  67           HB       ILE  67   1.936  -6.001   2.527
  508   1HG1  ILE  67          1HG1      ILE  67   0.110  -6.161   0.433
  509   2HG1  ILE  67          2HG1      ILE  67   0.073  -7.060   1.936
  510   1HG2  ILE  67          1HG2      ILE  67   1.893  -3.689   3.303
  511   2HG2  ILE  67          2HG2      ILE  67   0.367  -3.409   2.396
  512   3HG2  ILE  67          3HG2      ILE  67   0.389  -4.544   3.790
  513   1HD1  ILE  67          1HD1      ILE  67  -1.280  -5.287   2.990
  514   2HD1  ILE  67          2HD1      ILE  67  -1.242  -4.364   1.447
  515   3HD1  ILE  67          3HD1      ILE  67  -2.086  -5.951   1.526
  516    H    MET  68           H        MET  68   4.247  -5.456   2.043
  517    HA   MET  68           HA       MET  68   5.169  -3.093   3.119
  518   1HB   MET  68          1HB       MET  68   6.393  -5.631   2.271
  519   2HB   MET  68          2HB       MET  68   7.495  -4.284   2.481
  520   1HG   MET  68          1HG       MET  68   7.429  -5.272   4.592
  521   2HG   MET  68          2HG       MET  68   6.313  -3.929   4.730
  522   1HE   MET  68          1HE       MET  68   4.361  -4.240   6.138
  523   2HE   MET  68          2HE       MET  68   3.683  -4.144   4.476
  524   3HE   MET  68          3HE       MET  68   3.043  -5.357   5.638
  525    H    MET  69           H        MET  69   6.158  -4.455  -0.028
  526    HA   MET  69           HA       MET  69   7.619  -2.210  -0.877
  527   1HB   MET  69          1HB       MET  69   6.350  -4.549  -2.189
  528   2HB   MET  69          2HB       MET  69   7.023  -3.264  -3.171
  529   1HG   MET  69          1HG       MET  69   8.563  -4.696  -1.022
  530   2HG   MET  69          2HG       MET  69   8.601  -5.151  -2.713
  531   1HE   MET  69          1HE       MET  69   9.647  -2.660   0.029
  532   2HE   MET  69          2HE       MET  69  10.831  -3.946  -0.389
  533   3HE   MET  69          3HE       MET  69  11.239  -2.220  -0.681
  534    H    MET  70           H        MET  70   4.191  -2.996  -1.172
  535    HA   MET  70           HA       MET  70   3.386  -1.230  -3.099
  536   1HB   MET  70          1HB       MET  70   1.465  -2.133  -2.453
  537   2HB   MET  70          2HB       MET  70   2.201  -2.694  -0.964
  538   1HG   MET  70          1HG       MET  70   1.718   0.062  -0.669
  539   2HG   MET  70          2HG       MET  70   0.265  -0.651  -1.341
  540   1HE   MET  70          1HE       MET  70  -0.124   0.697   1.288
  541   2HE   MET  70          2HE       MET  70  -1.361  -0.371   0.538
  542   3HE   MET  70          3HE       MET  70  -0.929  -0.574   2.272
  543    H    LEU  71           H        LEU  71   4.240  -0.599   0.271
  544    HA   LEU  71           HA       LEU  71   3.685   2.258  -0.112
  545   1HB   LEU  71          1HB       LEU  71   4.135   0.561   2.300
  546   2HB   LEU  71          2HB       LEU  71   4.109   2.312   2.374
  547    HG   LEU  71           HG       LEU  71   1.831   0.872   1.149
  548   1HD1  LEU  71          1HD1      LEU  71   2.197  -0.335   3.244
  549   2HD1  LEU  71          2HD1      LEU  71   2.244   1.226   4.135
  550   3HD1  LEU  71          3HD1      LEU  71   0.720   0.685   3.350
  551   1HD2  LEU  71          1HD2      LEU  71   2.049   3.420   2.758
  552   2HD2  LEU  71          2HD2      LEU  71   1.900   3.297   0.971
  553   3HD2  LEU  71          3HD2      LEU  71   0.544   2.765   2.026
  554    H    ASN  72           H        ASN  72   5.868   0.973  -1.466
  555    HA   ASN  72           HA       ASN  72   8.111   2.513  -0.335
  556   1HB   ASN  72          1HB       ASN  72   8.166  -0.272  -1.452
  557   2HB   ASN  72          2HB       ASN  72   9.602   0.713  -1.262
  558   1HD2  ASN  72          2HD2      ASN  72   9.323   1.955   1.088
  559   2HD2  ASN  72          1HD2      ASN  72   9.249   0.775   2.378
  560    H    GLU  73           H        GLU  73   5.933   2.621  -2.582
  561    HA   GLU  73           HA       GLU  73   7.558   2.708  -4.965
  562   1HB   GLU  73          1HB       GLU  73   4.780   2.647  -4.347
  563   2HB   GLU  73          2HB       GLU  73   5.098   4.016  -5.393
  564   1HG   GLU  73          1HG       GLU  73   6.590   2.127  -6.628
  565   2HG   GLU  73          2HG       GLU  73   5.324   1.119  -5.956
  566    HA   PRO  74           HA       PRO  74   8.529   6.922  -5.096
  567   1HB   PRO  74          1HB       PRO  74   7.806   7.803  -7.593
  568   2HB   PRO  74          2HB       PRO  74   9.248   6.877  -7.230
  569   1HG   PRO  74          1HG       PRO  74   6.763   5.992  -8.531
  570   2HG   PRO  74          2HG       PRO  74   8.347   5.245  -8.562
  571   1HD   PRO  74          1HD       PRO  74   6.112   4.461  -7.003
  572   2HD   PRO  74          2HD       PRO  74   7.730   3.792  -6.946
  573    H    MET  75           H        MET  75   6.353   6.683  -3.589
  574    HA   MET  75           HA       MET  75   5.191   9.174  -3.477
  575   1HB   MET  75          1HB       MET  75   4.143   7.735  -5.672
  576   2HB   MET  75          2HB       MET  75   2.891   7.795  -4.446
  577   1HG   MET  75          1HG       MET  75   4.423  10.268  -5.107
  578   2HG   MET  75          2HG       MET  75   3.123   9.751  -6.162
  579   1HE   MET  75          1HE       MET  75   0.876  10.634  -5.958
  580   2HE   MET  75          2HE       MET  75   0.684   9.040  -5.150
  581   3HE   MET  75          3HE       MET  75  -0.072  10.506  -4.435
  582    H    TRP  76           H        TRP  76   6.130   7.087  -1.776
  583    HA   TRP  76           HA       TRP  76   3.894   7.004   0.047
  584   1HB   TRP  76          1HB       TRP  76   4.877   4.543  -1.300
  585   2HB   TRP  76          2HB       TRP  76   4.239   4.473   0.330
  586    HD1  TRP  76           HD       TRP  76   3.036   3.789  -2.968
  587    HE1  TRP  76           1HE      TRP  76   0.486   4.105  -3.239
  588    HE3  TRP  76           3HE      TRP  76   2.246   6.528   1.262
  589    HZ2  TRP  76           2HZ      TRP  76  -1.617   5.424  -1.783
  590    HZ3  TRP  76           3HZ      TRP  76  -0.064   7.283   1.771
  591    HH2  TRP  76           HH       TRP  76  -1.945   6.761   0.299
  592    H    ILE  77           H        ILE  77   5.556   8.484   0.890
  593    HA   ILE  77           HA       ILE  77   7.837   7.028   2.092
  594    HB   ILE  77           HB       ILE  77   7.793   9.981   1.952
  595   1HG1  ILE  77          1HG1      ILE  77   7.196   9.524  -0.292
  596   2HG1  ILE  77          2HG1      ILE  77   8.912   9.879  -0.278
  597   1HG2  ILE  77          1HG2      ILE  77   9.569   8.879   3.203
  598   2HG2  ILE  77          2HG2      ILE  77   9.993   7.902   1.754
  599   3HG2  ILE  77          3HG2      ILE  77  10.241   9.683   1.742
  600   1HD1  ILE  77          1HD1      ILE  77   9.436   7.462  -0.330
  601   2HD1  ILE  77          2HD1      ILE  77   7.676   7.098  -0.343
  602   3HD1  ILE  77          3HD1      ILE  77   8.429   7.947  -1.738
  603    H    ARG  78           H        ARG  78   8.002   9.668   3.749
  604    HA   ARG  78           HA       ARG  78   7.032   8.691   6.138
  605   1HB   ARG  78          1HB       ARG  78   7.132  11.579   5.296
  606   2HB   ARG  78          2HB       ARG  78   7.092  10.986   6.944
  607   1HG   ARG  78          1HG       ARG  78   9.318  10.808   4.945
  608   2HG   ARG  78          2HG       ARG  78   9.360  11.444   6.578
  609   1HD   ARG  78          1HD       ARG  78   9.166   8.551   5.747
  610   2HD   ARG  78          2HD       ARG  78  10.482   9.322   6.610
  611    HE   ARG  78           HE       ARG  78   7.914   9.465   7.988
  612   1HH1  ARG  78          1HH2      ARG  78  10.780   7.542   7.505
  613   2HH1  ARG  78          2HH2      ARG  78  10.602   6.698   9.027
  614   1HH2  ARG  78          1HH1      ARG  78   7.698   8.396   9.932
  615   2HH2  ARG  78          2HH1      ARG  78   8.867   7.179  10.393
  616    H    MET  79           H        MET  79   5.314  10.504   3.666
  617    HA   MET  79           HA       MET  79   2.984  11.216   4.891
  618   1HB   MET  79          1HB       MET  79   1.877  10.559   2.704
  619   2HB   MET  79          2HB       MET  79   3.221  11.677   2.587
  620   1HG   MET  79          1HG       MET  79   4.484   9.262   2.393
  621   2HG   MET  79          2HG       MET  79   2.970   8.941   1.573
  622   1HE   MET  79          1HE       MET  79   3.296   8.767  -0.817
  623   2HE   MET  79          2HE       MET  79   2.112  10.086  -0.521
  624   3HE   MET  79          3HE       MET  79   3.377  10.281  -1.784
  625    H    ARG  80           H        ARG  80   4.027   7.936   4.124
  626    HA   ARG  80           HA       ARG  80   1.664   6.553   4.471
  627   1HB   ARG  80          1HB       ARG  80   4.404   5.740   5.356
  628   2HB   ARG  80          2HB       ARG  80   3.030   4.671   5.160
  629   1HG   ARG  80          1HG       ARG  80   2.987   5.012   2.808
  630   2HG   ARG  80          2HG       ARG  80   4.114   6.349   2.915
  631   1HD   ARG  80          1HD       ARG  80   4.827   3.569   3.784
  632   2HD   ARG  80          2HD       ARG  80   5.055   4.122   2.137
  633    HE   ARG  80           HE       ARG  80   6.856   5.418   2.796
  634   1HH1  ARG  80          1HH2      ARG  80   5.398   3.858   5.536
  635   2HH1  ARG  80          2HH2      ARG  80   6.672   4.345   6.630
  636   1HH2  ARG  80          1HH1      ARG  80   8.441   6.120   4.218
  637   2HH2  ARG  80          2HH1      ARG  80   8.382   5.615   5.892
  638    H    ASP  81           H        ASP  81   3.360   8.390   6.807
  639    HA   ASP  81           HA       ASP  81   3.192   7.497   9.226
  640   1HB   ASP  81          1HB       ASP  81   3.103   9.971   8.322
  641   2HB   ASP  81          2HB       ASP  81   1.413   9.837   8.761
  642    H    GLN  82           H        GLN  82   0.221   8.477   7.481
  643    HA   GLN  82           HA       GLN  82  -1.448   7.239   9.497
  644   1HB   GLN  82          1HB       GLN  82  -1.907   8.910   7.119
  645   2HB   GLN  82          2HB       GLN  82  -3.200   7.832   7.605
  646   1HG   GLN  82          1HG       GLN  82  -3.304  10.136   8.599
  647   2HG   GLN  82          2HG       GLN  82  -3.336   8.822   9.758
  648   1HE2  GLN  82          2HE2      GLN  82  -2.192  11.806   9.337
  649   2HE2  GLN  82          1HE2      GLN  82  -0.706  11.721  10.256
  650    H    VAL  83           H        VAL  83  -1.882   6.908   6.038
  651    HA   VAL  83           HA       VAL  83  -2.940   4.555   5.682
  652    HB   VAL  83           HB       VAL  83  -2.309   5.137   3.662
  653   1HG1  VAL  83          1HG1      VAL  83  -1.241   7.171   4.410
  654   2HG1  VAL  83          2HG1      VAL  83   0.265   6.254   4.762
  655   3HG1  VAL  83          3HG1      VAL  83  -0.312   6.418   3.067
  656   1HG2  VAL  83          1HG2      VAL  83   0.222   3.675   4.386
  657   2HG2  VAL  83          2HG2      VAL  83  -1.305   2.948   3.780
  658   3HG2  VAL  83          3HG2      VAL  83  -0.342   4.032   2.717
  659    H    MET  84           H        MET  84   0.541   4.706   6.451
  660    HA   MET  84           HA       MET  84   1.322   2.201   6.693
  661   1HB   MET  84          1HB       MET  84   2.572   4.228   7.422
  662   2HB   MET  84          2HB       MET  84   1.676   4.171   8.926
  663   1HG   MET  84          1HG       MET  84   2.611   1.584   8.581
  664   2HG   MET  84          2HG       MET  84   3.949   2.600   8.082
  665   1HE   MET  84          1HE       MET  84   4.900   4.622   9.542
  666   2HE   MET  84          2HE       MET  84   3.229   5.227   9.810
  667   3HE   MET  84          3HE       MET  84   4.331   4.984  11.209
  668    H    SER  85           H        SER  85  -0.277   3.790   9.471
  669    HA   SER  85           HA       SER  85  -0.972   1.205  10.592
  670   1HB   SER  85          1HB       SER  85  -0.182   3.207  11.926
  671   2HB   SER  85          2HB       SER  85  -1.766   3.896  11.635
  672    HG   SER  85           HG       SER  85  -1.678   2.707  13.612
  673    H    MET  86           H        MET  86  -2.153   1.578   8.101
  674    HA   MET  86           HA       MET  86  -4.968   1.407   8.831
  675   1HB   MET  86          1HB       MET  86  -3.781   3.549   7.168
  676   2HB   MET  86          2HB       MET  86  -5.324   2.881   6.675
  677   1HG   MET  86          1HG       MET  86  -4.718   4.035   9.388
  678   2HG   MET  86          2HG       MET  86  -5.607   4.848   8.116
  679   1HE   MET  86          1HE       MET  86  -5.918   3.123  11.292
  680   2HE   MET  86          2HE       MET  86  -6.844   4.623  10.939
  681   3HE   MET  86          3HE       MET  86  -7.714   3.105  11.352
  682    H    ALA  87           H        ALA  87  -2.520   1.284   6.272
  683    HA   ALA  87           HA       ALA  87  -4.075  -0.487   4.615
  684   1HB   ALA  87          1HB       ALA  87  -2.612   1.190   3.610
  685   2HB   ALA  87          2HB       ALA  87  -1.201   0.450   4.444
  686   3HB   ALA  87          3HB       ALA  87  -2.080  -0.471   3.174
  687    H    HIS  88           H        HIS  88  -2.807  -0.984   7.521
  688    HA   HIS  88           HA       HIS  88  -1.579  -3.568   6.887
  689   1HB   HIS  88          1HB       HIS  88  -0.642  -3.513   9.010
  690   2HB   HIS  88          2HB       HIS  88  -0.519  -1.870   8.414
  691    HD1  HIS  88           1HD      HIS  88  -1.190  -3.533  11.449
  692    HD2  HIS  88           2HD      HIS  88  -3.034  -0.398   9.344
  693    HE1  HIS  88           1HE      HIS  88  -2.563  -2.224  13.177
  694    HE2  HIS  88           2HE      HIS  88  -3.707  -0.316  11.863
  695    H    ASN  89           H        ASN  89  -4.472  -2.103   8.071
  696    HA   ASN  89           HA       ASN  89  -5.522  -4.761   8.853
  697   1HB   ASN  89          1HB       ASN  89  -6.078  -1.972   9.715
  698   2HB   ASN  89          2HB       ASN  89  -7.406  -3.115   9.727
  699   1HD2  ASN  89          2HD2      ASN  89  -3.956  -3.582  10.342
  700   2HD2  ASN  89          1HD2      ASN  89  -4.128  -4.165  11.983
  701    H    LEU  90           H        LEU  90  -5.706  -2.184   6.576
  702    HA   LEU  90           HA       LEU  90  -8.314  -2.613   5.594
  703   1HB   LEU  90          1HB       LEU  90  -5.849  -1.318   4.608
  704   2HB   LEU  90          2HB       LEU  90  -7.101  -1.682   3.437
  705    HG   LEU  90           HG       LEU  90  -7.639  -0.137   5.945
  706   1HD1  LEU  90          1HD1      LEU  90  -5.914   1.065   4.692
  707   2HD1  LEU  90          2HD1      LEU  90  -6.917   0.947   3.205
  708   3HD1  LEU  90          3HD1      LEU  90  -7.488   1.929   4.599
  709   1HD2  LEU  90          1HD2      LEU  90  -9.145  -0.370   3.320
  710   2HD2  LEU  90          2HD2      LEU  90  -9.606  -1.137   4.878
  711   3HD2  LEU  90          3HD2      LEU  90  -9.628   0.654   4.715
  712    HA   PRO  91           HA       PRO  91  -6.364  -5.710   2.616
  713   1HB   PRO  91          1HB       PRO  91  -3.824  -6.630   3.120
  714   2HB   PRO  91          2HB       PRO  91  -4.218  -5.349   1.992
  715   1HG   PRO  91          1HG       PRO  91  -2.998  -5.168   4.643
  716   2HG   PRO  91          2HG       PRO  91  -3.004  -3.992   3.344
  717   1HD   PRO  91          1HD       PRO  91  -4.597  -3.975   5.687
  718   2HD   PRO  91          2HD       PRO  91  -4.676  -2.858   4.339
  719    H    ILE  92           H        ILE  92  -5.519  -5.954   5.985
  720    HA   ILE  92           HA       ILE  92  -5.672  -8.791   6.137
  721    HB   ILE  92           HB       ILE  92  -5.629  -6.535   8.039
  722   1HG1  ILE  92          1HG1      ILE  92  -3.888  -8.724   7.194
  723   2HG1  ILE  92          2HG1      ILE  92  -3.487  -7.103   7.725
  724   1HG2  ILE  92          1HG2      ILE  92  -7.409  -7.919   8.967
  725   2HG2  ILE  92          2HG2      ILE  92  -6.349  -9.366   8.847
  726   3HG2  ILE  92          3HG2      ILE  92  -5.926  -8.033   9.977
  727   1HD1  ILE  92          1HD1      ILE  92  -3.845  -7.757  10.072
  728   2HD1  ILE  92          2HD1      ILE  92  -4.255  -9.420   9.528
  729   3HD1  ILE  92          3HD1      ILE  92  -2.593  -8.779   9.283
  730    H    GLU  93           H        GLU  93  -8.001  -6.182   6.765
  731    HA   GLU  93           HA       GLU  93 -10.135  -7.866   7.551
  732   1HB   GLU  93          1HB       GLU  93  -9.873  -5.071   6.615
  733   2HB   GLU  93          2HB       GLU  93 -11.465  -5.795   6.524
  734   1HG   GLU  93          1HG       GLU  93 -10.332  -6.463   9.051
  735   2HG   GLU  93          2HG       GLU  93 -10.149  -4.737   8.812
  736    H    CYS  94           H        CYS  94  -8.727  -7.212   4.464
  737    HA   CYS  94           HA       CYS  94 -11.028  -8.276   3.026
  738   1HB   CYS  94          1HB       CYS  94  -8.488  -6.961   2.308
  739   2HB   CYS  94          2HB       CYS  94  -9.201  -8.047   1.133
  740    H    ASN  95           H        ASN  95  -8.293  -9.431   4.641
  741    HA   ASN  95           HA       ASN  95  -7.684 -11.618   5.002
  742   1HB   ASN  95          1HB       ASN  95 -10.039 -12.134   3.949
  743   2HB   ASN  95          2HB       ASN  95  -9.072 -12.598   2.564
  744   1HD2  ASN  95          2HD2      ASN  95  -6.947 -13.836   3.448
  745   2HD2  ASN  95          1HD2      ASN  95  -7.348 -15.207   4.458
  746    H    LEU  96           H        LEU  96  -6.502  -9.534   3.229
  747    HA   LEU  96           HA       LEU  96  -5.243 -11.040   1.094
  748   1HB   LEU  96          1HB       LEU  96  -4.626  -8.234   1.933
  749   2HB   LEU  96          2HB       LEU  96  -4.341  -8.986   0.376
  750    HG   LEU  96           HG       LEU  96  -7.038  -8.388   1.524
  751   1HD1  LEU  96          1HD1      LEU  96  -5.851  -6.340   1.106
  752   2HD1  LEU  96          2HD1      LEU  96  -5.451  -6.903  -0.554
  753   3HD1  LEU  96          3HD1      LEU  96  -7.160  -6.571  -0.104
  754   1HD2  LEU  96          1HD2      LEU  96  -6.253  -9.271  -1.252
  755   2HD2  LEU  96          2HD2      LEU  96  -7.119 -10.255  -0.021
  756   3HD2  LEU  96          3HD2      LEU  96  -7.906  -8.799  -0.725
  757    H    MET  97           H        MET  97  -4.188  -9.233   3.991
  758    HA   MET  97           HA       MET  97  -1.889 -11.079   4.142
  759   1HB   MET  97          1HB       MET  97  -0.489  -9.317   4.832
  760   2HB   MET  97          2HB       MET  97  -1.347  -8.742   3.417
  761   1HG   MET  97          1HG       MET  97  -2.913  -7.529   4.825
  762   2HG   MET  97          2HG       MET  97  -2.141  -8.161   6.265
  763   1HE   MET  97          1HE       MET  97  -0.991  -6.459   7.612
  764   2HE   MET  97          2HE       MET  97   0.300  -7.573   7.043
  765   3HE   MET  97          3HE       MET  97   0.579  -5.797   7.038
  766    H    SER  98           H        SER  98  -4.622 -11.112   5.394
  767    HA   SER  98           HA       SER  98  -4.880 -10.325   7.936
  768   1HB   SER  98          1HB       SER  98  -6.523 -11.759   6.987
  769   2HB   SER  98          2HB       SER  98  -5.386 -13.088   6.889
  770    HG   SER  98           HG       SER  98  -6.786 -13.265   8.701
  771    H    GLN  99           H        GLN  99  -3.488 -13.552   7.462
  772    HA   GLN  99           HA       GLN  99  -1.138 -12.867   9.013
  773   1HB   GLN  99          1HB       GLN  99  -3.333 -13.595  10.436
  774   2HB   GLN  99          2HB       GLN  99  -2.544 -15.142  10.205
  775   1HG   GLN  99          1HG       GLN  99  -1.578 -14.335  12.179
  776   2HG   GLN  99          2HG       GLN  99  -0.398 -13.920  10.954
  777   1HE2  GLN  99          2HE2      GLN  99   0.083 -11.816  10.515
  778   2HE2  GLN  99          1HE2      GLN  99  -0.606 -10.463  11.382
  779    HA   PRO 100           HA       PRO 100  -0.895 -16.353   5.984
  780   1HB   PRO 100          1HB       PRO 100   0.455 -15.092   3.940
  781   2HB   PRO 100          2HB       PRO 100  -1.277 -15.347   3.991
  782   1HG   PRO 100          1HG       PRO 100   0.235 -12.868   4.416
  783   2HG   PRO 100          2HG       PRO 100  -1.467 -13.069   4.053
  784   1HD   PRO 100          1HD       PRO 100  -0.294 -12.496   6.580
  785   2HD   PRO 100          2HD       PRO 100  -1.988 -12.774   6.231
  786    H    CYS 101           H        CYS 101   1.677 -13.946   5.672
  787    HA   CYS 101           HA       CYS 101   3.709 -15.922   6.124
  788   1HB   CYS 101          1HB       CYS 101   4.273 -13.024   6.351
  789   2HB   CYS 101          2HB       CYS 101   5.221 -14.294   5.602
  790    H    GLN 102           H        GLN 102   5.513 -15.173   7.789
  791    HA   GLN 102           HA       GLN 102   4.147 -14.631  10.360
  792   1HB   GLN 102          1HB       GLN 102   6.296 -16.674   9.860
  793   2HB   GLN 102          2HB       GLN 102   5.655 -16.249  11.434
  794   1HG   GLN 102          1HG       GLN 102   3.629 -17.279  11.039
  795   2HG   GLN 102          2HG       GLN 102   3.754 -17.091   9.302
  796   1HE2  GLN 102          2HE2      GLN 102   3.738 -19.019   8.389
  797   2HE2  GLN 102          1HE2      GLN 102   4.699 -20.391   8.894
  798    H    MET 103           H        MET 103   6.041 -14.372  12.100
  799    HA   MET 103           HA       MET 103   7.984 -12.448  10.955
  800   1HB   MET 103          1HB       MET 103   5.983 -11.475  12.195
  801   2HB   MET 103          2HB       MET 103   6.692 -12.153  13.646
  802   1HG   MET 103          1HG       MET 103   8.549 -10.618  11.964
  803   2HG   MET 103          2HG       MET 103   7.261  -9.677  12.690
  804   1HE   MET 103          1HE       MET 103  10.478  -9.434  13.211
  805   2HE   MET 103          2HE       MET 103   9.260  -8.304  13.898
  806   3HE   MET 103          3HE       MET 103  10.468  -9.086  14.975
  Start of MODEL   11
    1    HA   PRO   1           HA       PRO   1  20.402   2.703  -7.143
    2   1HB   PRO   1          1HB       PRO   1  22.078   1.741  -5.197
    3   2HB   PRO   1          2HB       PRO   1  20.364   1.396  -5.290
    4   1HG   PRO   1          1HG       PRO   1  22.635  -0.359  -5.906
    5   2HG   PRO   1          2HG       PRO   1  20.965  -0.790  -5.593
    6   1HD   PRO   1          1HD       PRO   1  22.282  -0.609  -8.122
    7   2HD   PRO   1          2HD       PRO   1  20.610  -1.031  -7.810
    8    H    TYR   2           H        TYR   2  22.269   2.500  -9.440
    9    HA   TYR   2           HA       TYR   2  24.055   4.632  -8.726
   10   1HB   TYR   2          1HB       TYR   2  26.132   3.424  -8.886
   11   2HB   TYR   2          2HB       TYR   2  25.146   2.661  -7.655
   12    HD1  TYR   2           1HD      TYR   2  24.032   0.437  -8.119
   13    HD2  TYR   2           2HD      TYR   2  26.763   2.288 -10.908
   14    HE1  TYR   2           1HE      TYR   2  24.302  -1.723  -9.289
   15    HE2  TYR   2           2HE      TYR   2  26.974   0.146 -12.127
   16    HH   TYR   2           HH       TYR   2  26.375  -2.050 -12.165
   17    H    GLY   3           H        GLY   3  23.244   1.946 -10.906
   18   1HA   GLY   3          1HA       GLY   3  23.092   3.481 -13.257
   19   2HA   GLY   3          2HA       GLY   3  24.720   2.840 -13.159
   20    H    ARG   4           H        ARG   4  21.422   1.652 -12.438
   21    HA   ARG   4           HA       ARG   4  21.900  -0.576 -14.330
   22   1HB   ARG   4          1HB       ARG   4  22.099  -0.961 -11.666
   23   2HB   ARG   4          2HB       ARG   4  20.388  -1.260 -11.902
   24   1HG   ARG   4          1HG       ARG   4  21.486  -2.630 -14.002
   25   2HG   ARG   4          2HG       ARG   4  22.700  -2.852 -12.759
   26   1HD   ARG   4          1HD       ARG   4  20.506  -3.365 -11.305
   27   2HD   ARG   4          2HD       ARG   4  19.916  -3.856 -12.880
   28    HE   ARG   4           HE       ARG   4  22.479  -4.989 -12.463
   29   1HH1  ARG   4          1HH2      ARG   4  19.178  -5.331 -11.346
   30   2HH1  ARG   4          2HH2      ARG   4  19.380  -7.019 -10.930
   31   1HH2  ARG   4          1HH1      ARG   4  22.710  -7.143 -11.911
   32   2HH2  ARG   4          2HH1      ARG   4  21.357  -8.031 -11.248
   33    H    GLY   5           H        GLY   5  19.761  -1.857 -14.632
   34   1HA   GLY   5          1HA       GLY   5  17.283  -0.492 -14.247
   35   2HA   GLY   5          2HA       GLY   5  17.876  -0.203 -15.870
   36    H    ARG   6           H        ARG   6  17.085  -2.739 -13.528
   37    HA   ARG   6           HA       ARG   6  16.017  -4.358 -15.750
   38   1HB   ARG   6          1HB       ARG   6  18.405  -4.963 -14.245
   39   2HB   ARG   6          2HB       ARG   6  17.200  -6.220 -14.049
   40   1HG   ARG   6          1HG       ARG   6  17.346  -5.387 -16.808
   41   2HG   ARG   6          2HG       ARG   6  18.929  -5.865 -16.229
   42   1HD   ARG   6          1HD       ARG   6  17.617  -7.919 -15.247
   43   2HD   ARG   6          2HD       ARG   6  16.439  -7.495 -16.472
   44    HE   ARG   6           HE       ARG   6  18.985  -7.564 -17.689
   45   1HH1  ARG   6          1HH2      ARG   6  16.684  -9.780 -16.254
   46   2HH1  ARG   6          2HH2      ARG   6  17.219 -11.130 -17.231
   47   1HH2  ARG   6          1HH1      ARG   6  19.647  -9.309 -18.921
   48   2HH2  ARG   6          2HH1      ARG   6  18.876 -10.867 -18.722
   49    H    THR   7           H        THR   7  14.912  -6.364 -14.802
   50    HA   THR   7           HA       THR   7  13.310  -5.470 -12.467
   51    HB   THR   7           HB       THR   7  11.419  -6.655 -13.514
   52    HG1  THR   7           1HG      THR   7  11.733  -7.368 -15.681
   53   1HG2  THR   7          1HG2      THR   7  11.770  -4.246 -14.096
   54   2HG2  THR   7          2HG2      THR   7  12.810  -4.770 -15.466
   55   3HG2  THR   7          3HG2      THR   7  11.060  -5.179 -15.459
   56    H    GLU   8           H        GLU   8  14.320  -6.491 -10.844
   57    HA   GLU   8           HA       GLU   8  14.643  -9.426 -11.120
   58   1HB   GLU   8          1HB       GLU   8  16.289  -7.382  -9.978
   59   2HB   GLU   8          2HB       GLU   8  15.885  -8.581  -8.766
   60   1HG   GLU   8          1HG       GLU   8  16.863  -9.363 -11.495
   61   2HG   GLU   8          2HG       GLU   8  17.972  -9.016 -10.184
   62    H    SER   9           H        SER   9  13.113  -6.923  -9.293
   63    HA   SER   9           HA       SER   9  12.250  -8.333  -7.043
   64   1HB   SER   9          1HB       SER   9  10.216  -6.534  -7.986
   65   2HB   SER   9          2HB       SER   9  11.231  -6.423  -6.562
   66    HG   SER   9           HG       SER   9  11.555  -4.671  -8.007
   67    H    GLY  10           H        GLY  10   9.481  -8.281  -6.919
   68   1HA   GLY  10          1HA       GLY  10   8.598 -10.051  -9.122
   69   2HA   GLY  10          2HA       GLY  10   8.493 -10.644  -7.475
   70    H    CYS  11           H        CYS  11   6.732 -10.160  -6.295
   71    HA   CYS  11           HA       CYS  11   4.410  -9.171  -7.393
   72   1HB   CYS  11          1HB       CYS  11   5.230  -8.876  -4.542
   73   2HB   CYS  11          2HB       CYS  11   3.594  -8.843  -5.168
   74    H    TYR  12           H        TYR  12   6.921  -7.351  -5.636
   75    HA   TYR  12           HA       TYR  12   5.980  -4.811  -5.542
   76   1HB   TYR  12          1HB       TYR  12   8.170  -5.397  -4.845
   77   2HB   TYR  12          2HB       TYR  12   8.620  -5.878  -6.469
   78    HD1  TYR  12           1HD      TYR  12  10.042  -4.430  -7.591
   79    HD2  TYR  12           2HD      TYR  12   7.201  -2.822  -4.813
   80    HE1  TYR  12           1HE      TYR  12  10.956  -2.187  -8.007
   81    HE2  TYR  12           2HE      TYR  12   8.103  -0.563  -5.213
   82    HH   TYR  12           HH       TYR  12   9.576   0.684  -6.399
   83    H    GLN  13           H        GLN  13   7.600  -6.141  -8.453
   84    HA   GLN  13           HA       GLN  13   7.003  -3.927 -10.104
   85   1HB   GLN  13          1HB       GLN  13   8.715  -5.567 -10.646
   86   2HB   GLN  13          2HB       GLN  13   7.496  -6.817 -10.798
   87   1HG   GLN  13          1HG       GLN  13   6.447  -5.540 -12.629
   88   2HG   GLN  13          2HG       GLN  13   7.711  -4.335 -12.496
   89   1HE2  GLN  13          2HE2      GLN  13   7.408  -5.375 -14.937
   90   2HE2  GLN  13          1HE2      GLN  13   8.677  -6.526 -15.292
   91    H    GLN  14           H        GLN  14   5.224  -6.992  -9.562
   92    HA   GLN  14           HA       GLN  14   3.106  -6.326 -11.354
   93   1HB   GLN  14          1HB       GLN  14   3.343  -8.254  -9.084
   94   2HB   GLN  14          2HB       GLN  14   1.865  -8.083 -10.009
   95   1HG   GLN  14          1HG       GLN  14   2.713  -9.244 -11.743
   96   2HG   GLN  14          2HG       GLN  14   4.193  -8.307 -11.733
   97   1HE2  GLN  14          2HE2      GLN  14   5.234  -8.851  -9.279
   98   2HE2  GLN  14          1HE2      GLN  14   5.616 -10.555  -9.162
   99    H    MET  15           H        MET  15   3.902  -4.884  -8.434
  100    HA   MET  15           HA       MET  15   1.218  -4.372  -7.482
  101   1HB   MET  15          1HB       MET  15   3.365  -4.577  -6.088
  102   2HB   MET  15          2HB       MET  15   3.705  -2.953  -6.650
  103   1HG   MET  15          1HG       MET  15   2.254  -2.070  -5.205
  104   2HG   MET  15          2HG       MET  15   0.992  -3.176  -5.708
  105   1HE   MET  15          1HE       MET  15   4.435  -4.346  -4.543
  106   2HE   MET  15          2HE       MET  15   4.244  -2.810  -3.627
  107   3HE   MET  15          3HE       MET  15   4.275  -4.381  -2.752
  108    H    GLU  16           H        GLU  16   3.957  -2.261  -8.510
  109    HA   GLU  16           HA       GLU  16   2.465   0.072  -8.795
  110   1HB   GLU  16          1HB       GLU  16   4.251   0.546 -10.637
  111   2HB   GLU  16          2HB       GLU  16   4.740   0.394  -8.962
  112   1HG   GLU  16          1HG       GLU  16   5.698  -1.691  -9.293
  113   2HG   GLU  16          2HG       GLU  16   4.726  -2.025 -10.712
  114    H    GLU  17           H        GLU  17   2.932  -2.579 -11.104
  115    HA   GLU  17           HA       GLU  17   1.574  -1.344 -13.287
  116   1HB   GLU  17          1HB       GLU  17   3.086  -3.463 -13.196
  117   2HB   GLU  17          2HB       GLU  17   1.577  -4.296 -12.883
  118   1HG   GLU  17          1HG       GLU  17   1.244  -2.412 -15.037
  119   2HG   GLU  17          2HG       GLU  17   2.581  -3.491 -15.381
  120    H    ALA  18           H        ALA  18   0.454  -2.894 -10.426
  121    HA   ALA  18           HA       ALA  18  -2.319  -2.476 -11.281
  122   1HB   ALA  18          1HB       ALA  18  -1.818  -4.866 -11.470
  123   2HB   ALA  18          2HB       ALA  18  -1.199  -4.866  -9.782
  124   3HB   ALA  18          3HB       ALA  18  -2.942  -4.557 -10.101
  125    H    GLU  19           H        GLU  19  -1.124  -0.464 -10.015
  126    HA   GLU  19           HA       GLU  19  -0.653  -0.344  -7.348
  127   1HB   GLU  19          1HB       GLU  19  -1.992   1.934  -7.619
  128   2HB   GLU  19          2HB       GLU  19  -0.396   1.671  -8.294
  129   1HG   GLU  19          1HG       GLU  19  -1.181   1.509 -10.441
  130   2HG   GLU  19          2HG       GLU  19  -2.777   0.994  -9.932
  131    H    MET  20           H        MET  20  -1.708  -1.618  -5.895
  132    HA   MET  20           HA       MET  20  -4.678  -1.728  -6.107
  133   1HB   MET  20          1HB       MET  20  -4.552  -3.788  -4.871
  134   2HB   MET  20          2HB       MET  20  -3.388  -3.884  -6.176
  135   1HG   MET  20          1HG       MET  20  -1.646  -3.096  -4.535
  136   2HG   MET  20          2HG       MET  20  -2.843  -3.322  -3.274
  137   1HE   MET  20          1HE       MET  20   0.163  -4.713  -3.841
  138   2HE   MET  20          2HE       MET  20  -0.730  -4.854  -2.287
  139   3HE   MET  20          3HE       MET  20  -0.179  -6.335  -3.145
  140    H    LEU  21           H        LEU  21  -1.887  -1.191  -4.016
  141    HA   LEU  21           HA       LEU  21  -3.620  -0.290  -1.840
  142   1HB   LEU  21          1HB       LEU  21  -0.717  -0.876  -2.108
  143   2HB   LEU  21          2HB       LEU  21  -1.373  -0.061  -0.703
  144    HG   LEU  21           HG       LEU  21  -2.745  -2.514  -1.392
  145   1HD1  LEU  21          1HD1      LEU  21  -0.533  -3.159  -2.118
  146   2HD1  LEU  21          2HD1      LEU  21   0.150  -2.593  -0.553
  147   3HD1  LEU  21          3HD1      LEU  21  -0.967  -4.001  -0.590
  148   1HD2  LEU  21          1HD2      LEU  21  -1.467  -1.517   1.165
  149   2HD2  LEU  21          2HD2      LEU  21  -3.190  -1.322   0.692
  150   3HD2  LEU  21          3HD2      LEU  21  -2.527  -2.962   1.014
  151    H    ASN  22           H        ASN  22  -3.767   1.165  -4.248
  152    HA   ASN  22           HA       ASN  22  -2.336   3.683  -3.570
  153   1HB   ASN  22          1HB       ASN  22  -3.179   2.382  -6.065
  154   2HB   ASN  22          2HB       ASN  22  -3.475   4.108  -5.989
  155   1HD2  ASN  22          2HD2      ASN  22  -1.842   5.491  -6.323
  156   2HD2  ASN  22          1HD2      ASN  22  -0.156   5.034  -6.426
  157    H    HIS  23           H        HIS  23  -5.454   2.158  -4.278
  158    HA   HIS  23           HA       HIS  23  -6.944   4.638  -4.058
  159   1HB   HIS  23          1HB       HIS  23  -7.922   1.802  -4.032
  160   2HB   HIS  23          2HB       HIS  23  -8.898   3.235  -4.278
  161    HD1  HIS  23           1HD      HIS  23  -9.384   3.740  -6.731
  162    HD2  HIS  23           2HD      HIS  23  -5.766   1.641  -6.104
  163    HE1  HIS  23           1HE      HIS  23  -8.488   3.105  -9.065
  164    HE2  HIS  23           2HE      HIS  23  -6.230   1.935  -8.668
  165    H    CYS  24           H        CYS  24  -6.554   1.683  -2.062
  166    HA   CYS  24           HA       CYS  24  -7.948   2.779   0.174
  167   1HB   CYS  24          1HB       CYS  24  -6.221   0.439  -0.308
  168   2HB   CYS  24          2HB       CYS  24  -6.360   0.994   1.348
  169    H    GLY  25           H        GLY  25  -4.938   3.613  -1.193
  170   1HA   GLY  25          1HA       GLY  25  -3.717   4.456   1.305
  171   2HA   GLY  25          2HA       GLY  25  -3.072   4.643  -0.315
  172    H    MET  26           H        MET  26  -5.385   5.899  -1.501
  173    HA   MET  26           HA       MET  26  -4.846   8.602  -0.860
  174   1HB   MET  26          1HB       MET  26  -6.643   7.090  -2.581
  175   2HB   MET  26          2HB       MET  26  -7.333   8.597  -2.012
  176   1HG   MET  26          1HG       MET  26  -5.323   9.782  -2.813
  177   2HG   MET  26          2HG       MET  26  -4.711   8.269  -3.450
  178   1HE   MET  26          1HE       MET  26  -4.649  10.332  -5.534
  179   2HE   MET  26          2HE       MET  26  -4.512   8.580  -5.916
  180   3HE   MET  26          3HE       MET  26  -5.605   9.629  -6.885
  181    H    TYR  27           H        TYR  27  -7.455   6.385   0.138
  182    HA   TYR  27           HA       TYR  27  -9.065   8.200   1.530
  183   1HB   TYR  27          1HB       TYR  27  -9.613   5.887   0.978
  184   2HB   TYR  27          2HB       TYR  27  -8.383   5.323   2.092
  185    HD1  TYR  27           1HD      TYR  27  -8.671   6.102   4.607
  186    HD2  TYR  27           2HD      TYR  27 -11.829   5.957   1.680
  187    HE1  TYR  27           1HE      TYR  27 -10.325   6.147   6.428
  188    HE2  TYR  27           2HE      TYR  27 -13.496   5.919   3.502
  189    HH   TYR  27           HH       TYR  27 -13.822   5.965   5.717
  190    H    LEU  28           H        LEU  28  -6.013   6.728   2.417
  191    HA   LEU  28           HA       LEU  28  -6.263   7.643   5.194
  192   1HB   LEU  28          1HB       LEU  28  -3.846   6.293   4.146
  193   2HB   LEU  28          2HB       LEU  28  -4.576   6.201   5.736
  194    HG   LEU  28           HG       LEU  28  -5.959   5.035   3.401
  195   1HD1  LEU  28          1HD1      LEU  28  -3.729   4.152   3.184
  196   2HD1  LEU  28          2HD1      LEU  28  -3.738   3.672   4.917
  197   3HD1  LEU  28          3HD1      LEU  28  -4.856   2.873   3.757
  198   1HD2  LEU  28          1HD2      LEU  28  -5.899   4.327   6.317
  199   2HD2  LEU  28          2HD2      LEU  28  -7.202   5.202   5.438
  200   3HD2  LEU  28          3HD2      LEU  28  -6.853   3.481   5.049
  201    H    MET  29           H        MET  29  -4.798   8.459   2.160
  202    HA   MET  29           HA       MET  29  -3.030  10.450   3.354
  203   1HB   MET  29          1HB       MET  29  -2.783   8.811   1.179
  204   2HB   MET  29          2HB       MET  29  -3.175  10.361   0.464
  205   1HG   MET  29          1HG       MET  29  -1.009   9.907   2.488
  206   2HG   MET  29          2HG       MET  29  -0.750   9.993   0.758
  207   1HE   MET  29          1HE       MET  29   0.032  11.979  -0.385
  208   2HE   MET  29          2HE       MET  29  -1.735  12.184  -0.642
  209   3HE   MET  29          3HE       MET  29  -0.726  13.594  -0.165
  210    H    LYS  30           H        LYS  30  -6.193  10.415   2.948
  211    HA   LYS  30           HA       LYS  30  -6.499  12.859   1.391
  212   1HB   LYS  30          1HB       LYS  30  -8.108  10.701   1.852
  213   2HB   LYS  30          2HB       LYS  30  -8.794  11.903   2.926
  214   1HG   LYS  30          1HG       LYS  30  -8.450  13.426   0.741
  215   2HG   LYS  30          2HG       LYS  30  -8.666  11.870  -0.034
  216   1HD   LYS  30          1HD       LYS  30 -10.629  12.137   2.018
  217   2HD   LYS  30          2HD       LYS  30 -10.663  13.581   1.027
  218   1HE   LYS  30          1HE       LYS  30 -11.076  12.332  -0.950
  219   2HE   LYS  30          2HE       LYS  30 -10.677  10.819  -0.163
  220   1HZ   LYS  30          1HZ       LYS  30 -12.606  11.087   1.224
  221   2HZ   LYS  30          2HZ       LYS  30 -12.983  12.518   0.480
  222   3HZ   LYS  30          3HZ       LYS  30 -13.040  11.100  -0.374
  223    H    ASN  31           H        ASN  31  -6.169  11.851   4.691
  224    HA   ASN  31           HA       ASN  31  -6.737  14.596   5.643
  225   1HB   ASN  31          1HB       ASN  31  -6.672  13.547   7.885
  226   2HB   ASN  31          2HB       ASN  31  -7.898  12.852   6.844
  227   1HD2  ASN  31          2HD2      ASN  31  -5.234  12.213   8.844
  228   2HD2  ASN  31          1HD2      ASN  31  -5.000  10.535   8.409
  229    H    LEU  32           H        LEU  32  -4.178  12.611   4.671
  230    HA   LEU  32           HA       LEU  32  -2.233  13.753   6.518
  231   1HB   LEU  32          1HB       LEU  32  -1.965  11.908   4.179
  232   2HB   LEU  32          2HB       LEU  32  -0.630  12.420   5.191
  233    HG   LEU  32           HG       LEU  32  -3.033  11.020   6.277
  234   1HD1  LEU  32          1HD1      LEU  32  -2.002   9.567   4.599
  235   2HD1  LEU  32          2HD1      LEU  32  -0.402   9.817   5.381
  236   3HD1  LEU  32          3HD1      LEU  32  -1.707   8.949   6.262
  237   1HD2  LEU  32          1HD2      LEU  32  -0.225  11.439   7.318
  238   2HD2  LEU  32          2HD2      LEU  32  -1.705  12.293   7.879
  239   3HD2  LEU  32          3HD2      LEU  32  -1.528  10.525   8.153
  240    H    GLY  33           H        GLY  33  -3.699  14.657   3.588
  241   1HA   GLY  33          1HA       GLY  33  -2.572  17.149   3.360
  242   2HA   GLY  33          2HA       GLY  33  -1.510  16.114   2.427
  243    H    GLU  34           H        GLU  34  -2.316  17.647   0.746
  244    HA   GLU  34           HA       GLU  34  -4.855  16.647  -0.404
  245   1HB   GLU  34          1HB       GLU  34  -4.308  19.211   0.264
  246   2HB   GLU  34          2HB       GLU  34  -3.802  19.190  -1.414
  247   1HG   GLU  34          1HG       GLU  34  -5.994  18.251  -2.052
  248   2HG   GLU  34          2HG       GLU  34  -6.498  18.308  -0.374
  249    H    ARG  35           H        ARG  35  -4.389  17.901  -2.958
  250    HA   ARG  35           HA       ARG  35  -2.542  15.946  -4.122
  251   1HB   ARG  35          1HB       ARG  35  -4.568  17.850  -5.236
  252   2HB   ARG  35          2HB       ARG  35  -3.461  16.967  -6.266
  253   1HG   ARG  35          1HG       ARG  35  -4.607  15.047  -6.025
  254   2HG   ARG  35          2HG       ARG  35  -4.753  15.261  -4.292
  255   1HD   ARG  35          1HD       ARG  35  -6.540  17.035  -4.879
  256   2HD   ARG  35          2HD       ARG  35  -6.558  16.280  -6.460
  257    HE   ARG  35           HE       ARG  35  -7.613  14.410  -5.565
  258   1HH1  ARG  35          1HH2      ARG  35  -6.376  16.400  -2.945
  259   2HH1  ARG  35          2HH2      ARG  35  -7.189  15.457  -1.716
  260   1HH2  ARG  35          1HH1      ARG  35  -8.632  13.235  -3.946
  261   2HH2  ARG  35          2HH1      ARG  35  -8.437  13.704  -2.271
  262    H    SER  36           H        SER  36  -0.482  16.630  -3.617
  263    HA   SER  36           HA       SER  36   0.507  19.229  -3.750
  264   1HB   SER  36          1HB       SER  36   2.649  18.312  -3.795
  265   2HB   SER  36          2HB       SER  36   1.664  17.149  -2.933
  266    HG   SER  36           HG       SER  36   3.093  16.162  -4.409
  267    H    GLN  37           H        GLN  37   0.683  16.790  -6.346
  268    HA   GLN  37           HA       GLN  37   0.942  18.990  -8.293
  269   1HB   GLN  37          1HB       GLN  37   2.706  16.891  -7.848
  270   2HB   GLN  37          2HB       GLN  37   1.804  16.407  -9.270
  271   1HG   GLN  37          1HG       GLN  37   2.246  18.984  -9.892
  272   2HG   GLN  37          2HG       GLN  37   3.657  18.689  -8.897
  273   1HE2  GLN  37          2HE2      GLN  37   1.814  17.388 -11.650
  274   2HE2  GLN  37          1HE2      GLN  37   3.191  16.698 -12.477
  275    H    VAL  38           H        VAL  38  -0.214  18.863 -10.176
  276    HA   VAL  38           HA       VAL  38  -2.809  17.778  -9.964
  277    HB   VAL  38           HB       VAL  38  -2.026  19.701 -11.360
  278   1HG1  VAL  38          1HG1      VAL  38  -0.153  18.645 -12.520
  279   2HG1  VAL  38          2HG1      VAL  38  -1.292  17.501 -13.311
  280   3HG1  VAL  38          3HG1      VAL  38  -1.372  19.256 -13.693
  281   1HG2  VAL  38          1HG2      VAL  38  -3.822  17.626 -12.639
  282   2HG2  VAL  38          2HG2      VAL  38  -4.313  18.877 -11.445
  283   3HG2  VAL  38          3HG2      VAL  38  -3.757  19.366 -13.084
  284    H    SER  39           H        SER  39  -3.675  15.847 -10.358
  285    HA   SER  39           HA       SER  39  -2.302  14.009 -12.181
  286   1HB   SER  39          1HB       SER  39  -1.478  13.808  -9.680
  287   2HB   SER  39          2HB       SER  39  -2.931  12.838  -9.544
  288    HG   SER  39           HG       SER  39  -1.102  11.594 -10.157
  289    HA   PRO  40           HA       PRO  40  -6.870  13.869 -12.209
  290   1HB   PRO  40          1HB       PRO  40  -7.164  14.236 -14.945
  291   2HB   PRO  40          2HB       PRO  40  -7.260  15.517 -13.753
  292   1HG   PRO  40          1HG       PRO  40  -5.106  14.925 -15.652
  293   2HG   PRO  40          2HG       PRO  40  -5.404  16.397 -14.749
  294   1HD   PRO  40          1HD       PRO  40  -3.455  14.401 -14.188
  295   2HD   PRO  40          2HD       PRO  40  -3.827  15.816 -13.225
  296    H    ARG  41           H        ARG  41  -6.669  11.678 -11.633
  297    HA   ARG  41           HA       ARG  41  -5.594   9.582 -13.043
  298   1HB   ARG  41          1HB       ARG  41  -6.909   9.655 -10.777
  299   2HB   ARG  41          2HB       ARG  41  -8.273   9.202 -11.779
  300   1HG   ARG  41          1HG       ARG  41  -7.351   7.149 -11.058
  301   2HG   ARG  41          2HG       ARG  41  -6.771   7.347 -12.699
  302   1HD   ARG  41          1HD       ARG  41  -4.721   8.486 -11.572
  303   2HD   ARG  41          2HD       ARG  41  -5.273   7.666 -10.125
  304    HE   ARG  41           HE       ARG  41  -5.227   5.644 -11.916
  305   1HH1  ARG  41          1HH2      ARG  41  -2.843   8.052 -11.066
  306   2HH1  ARG  41          2HH2      ARG  41  -1.493   7.054 -11.558
  307   1HH2  ARG  41          1HH1      ARG  41  -3.489   4.402 -12.586
  308   2HH2  ARG  41          2HH1      ARG  41  -1.857   5.007 -12.410
  309    H    MET  42           H        MET  42  -9.050  10.428 -13.185
  310    HA   MET  42           HA       MET  42  -9.041   9.959 -16.081
  311   1HB   MET  42          1HB       MET  42 -10.965   8.506 -14.292
  312   2HB   MET  42          2HB       MET  42 -10.768   8.321 -16.023
  313   1HG   MET  42          1HG       MET  42  -8.397   7.565 -15.518
  314   2HG   MET  42          2HG       MET  42  -8.901   7.453 -13.844
  315   1HE   MET  42          1HE       MET  42  -9.784   6.386 -17.509
  316   2HE   MET  42          2HE       MET  42  -8.249   5.649 -16.935
  317   3HE   MET  42          3HE       MET  42  -9.671   4.606 -17.283
  318    H    ARG  43           H        ARG  43 -11.109  10.496 -13.233
  319    HA   ARG  43           HA       ARG  43 -12.038  13.033 -13.837
  320   1HB   ARG  43          1HB       ARG  43 -14.340  12.513 -14.722
  321   2HB   ARG  43          2HB       ARG  43 -13.034  12.343 -15.878
  322   1HG   ARG  43          1HG       ARG  43 -13.231   9.821 -14.736
  323   2HG   ARG  43          2HG       ARG  43 -14.898  10.339 -14.886
  324   1HD   ARG  43          1HD       ARG  43 -13.223  10.845 -17.248
  325   2HD   ARG  43          2HD       ARG  43 -13.494   9.154 -16.880
  326    HE   ARG  43           HE       ARG  43 -15.928  10.692 -16.775
  327   1HH1  ARG  43          1HH2      ARG  43 -13.724   9.110 -18.985
  328   2HH1  ARG  43          2HH2      ARG  43 -14.958   8.864 -20.200
  329   1HH2  ARG  43          1HH1      ARG  43 -17.488  10.349 -18.343
  330   2HH2  ARG  43          2HH1      ARG  43 -17.058   9.556 -19.841
  331    H    GLU  44           H        GLU  44 -12.977   9.806 -12.753
  332    HA   GLU  44           HA       GLU  44 -14.861  10.794 -10.821
  333   1HB   GLU  44          1HB       GLU  44 -14.196   8.306 -11.897
  334   2HB   GLU  44          2HB       GLU  44 -13.831   8.184 -10.188
  335   1HG   GLU  44          1HG       GLU  44 -16.016   8.317  -9.582
  336   2HG   GLU  44          2HG       GLU  44 -16.384   9.511 -10.811
  337    H    GLU  45           H        GLU  45 -14.621  10.167  -8.468
  338    HA   GLU  45           HA       GLU  45 -11.954  10.199  -7.384
  339   1HB   GLU  45          1HB       GLU  45 -13.133  12.719  -7.937
  340   2HB   GLU  45          2HB       GLU  45 -13.087  12.506  -6.199
  341   1HG   GLU  45          1HG       GLU  45 -10.646  11.677  -6.661
  342   2HG   GLU  45          2HG       GLU  45 -10.830  12.585  -8.147
  343    H    ASP  46           H        ASP  46 -12.766   8.296  -6.438
  344    HA   ASP  46           HA       ASP  46 -13.886   8.660  -3.839
  345   1HB   ASP  46          1HB       ASP  46 -15.893   8.847  -5.605
  346   2HB   ASP  46          2HB       ASP  46 -15.800   7.103  -5.473
  347    H    HIS  47           H        HIS  47 -13.306   6.916  -2.641
  348    HA   HIS  47           HA       HIS  47 -12.629   4.425  -4.123
  349   1HB   HIS  47          1HB       HIS  47 -11.357   5.466  -1.615
  350   2HB   HIS  47          2HB       HIS  47 -10.900   4.020  -2.493
  351    HD1  HIS  47           1HD      HIS  47 -11.268   5.694  -5.394
  352    HD2  HIS  47           2HD      HIS  47  -8.839   6.518  -2.031
  353    HE1  HIS  47           1HE      HIS  47  -9.381   7.246  -6.219
  354    HE2  HIS  47           2HE      HIS  47  -7.860   7.623  -4.188
  355    H    LYS  48           H        LYS  48 -12.478   2.556  -2.364
  356    HA   LYS  48           HA       LYS  48 -14.009   2.376  -0.115
  357   1HB   LYS  48          1HB       LYS  48 -15.730   2.730  -2.416
  358   2HB   LYS  48          2HB       LYS  48 -16.081   1.241  -1.563
  359   1HG   LYS  48          1HG       LYS  48 -15.646   3.650   0.115
  360   2HG   LYS  48          2HG       LYS  48 -17.126   3.612  -0.822
  361   1HD   LYS  48          1HD       LYS  48 -16.870   1.049   0.301
  362   2HD   LYS  48          2HD       LYS  48 -16.478   2.173   1.587
  363   1HE   LYS  48          1HE       LYS  48 -18.567   3.327   1.312
  364   2HE   LYS  48          2HE       LYS  48 -18.931   2.429  -0.148
  365   1HZ   LYS  48          1HZ       LYS  48 -19.018   0.430   1.160
  366   2HZ   LYS  48          2HZ       LYS  48 -18.675   1.279   2.540
  367   3HZ   LYS  48          3HZ       LYS  48 -20.099   1.544   1.739
  368    H    GLN  49           H        GLN  49 -14.320   0.571  -3.159
  369    HA   GLN  49           HA       GLN  49 -12.897  -1.678  -1.859
  370   1HB   GLN  49          1HB       GLN  49 -15.549  -1.635  -3.100
  371   2HB   GLN  49          2HB       GLN  49 -14.521  -2.959  -3.607
  372   1HG   GLN  49          1HG       GLN  49 -14.840  -4.016  -1.666
  373   2HG   GLN  49          2HG       GLN  49 -14.309  -2.608  -0.770
  374   1HE2  GLN  49          2HE2      GLN  49 -15.763  -2.329   0.822
  375   2HE2  GLN  49          1HE2      GLN  49 -17.489  -2.189   0.569
  376    H    LEU  50           H        LEU  50 -12.112   0.584  -3.727
  377    HA   LEU  50           HA       LEU  50 -11.537  -0.698  -6.245
  378   1HB   LEU  50          1HB       LEU  50 -10.996   1.877  -4.915
  379   2HB   LEU  50          2HB       LEU  50  -9.912   1.402  -6.206
  380    HG   LEU  50           HG       LEU  50 -12.852   1.319  -6.650
  381   1HD1  LEU  50          1HD1      LEU  50 -12.441   3.536  -5.678
  382   2HD1  LEU  50          2HD1      LEU  50 -11.106   3.798  -6.853
  383   3HD1  LEU  50          3HD1      LEU  50 -12.803   3.666  -7.434
  384   1HD2  LEU  50          1HD2      LEU  50 -10.486   1.912  -8.462
  385   2HD2  LEU  50          2HD2      LEU  50 -11.371   0.351  -8.362
  386   3HD2  LEU  50          3HD2      LEU  50 -12.205   1.818  -8.979
  387    H    CYS  51           H        CYS  51  -9.668   0.060  -3.254
  388    HA   CYS  51           HA       CYS  51  -7.233  -1.060  -4.200
  389   1HB   CYS  51          1HB       CYS  51  -6.460  -0.718  -2.139
  390   2HB   CYS  51          2HB       CYS  51  -7.855   0.342  -2.112
  391    H    CYS  52           H        CYS  52  -9.947  -2.463  -2.349
  392    HA   CYS  52           HA       CYS  52  -8.819  -5.068  -2.127
  393   1HB   CYS  52          1HB       CYS  52 -10.869  -3.923  -0.962
  394   2HB   CYS  52          2HB       CYS  52 -11.752  -4.646  -2.290
  395    H    MET  53           H        MET  53 -10.062  -3.314  -4.783
  396    HA   MET  53           HA       MET  53 -11.039  -5.440  -6.392
  397   1HB   MET  53          1HB       MET  53 -11.150  -2.797  -6.577
  398   2HB   MET  53          2HB       MET  53  -9.772  -3.076  -7.623
  399   1HG   MET  53          1HG       MET  53 -11.466  -4.948  -8.538
  400   2HG   MET  53          2HG       MET  53 -12.600  -3.713  -8.024
  401   1HE   MET  53          1HE       MET  53  -9.023  -3.944  -9.679
  402   2HE   MET  53          2HE       MET  53 -10.164  -4.974 -10.613
  403   3HE   MET  53          3HE       MET  53  -9.453  -3.506 -11.370
  404    H    GLN  54           H        GLN  54  -8.027  -3.545  -6.844
  405    HA   GLN  54           HA       GLN  54  -6.883  -5.527  -8.557
  406   1HB   GLN  54          1HB       GLN  54  -5.712  -3.192  -7.087
  407   2HB   GLN  54          2HB       GLN  54  -4.769  -4.227  -8.141
  408   1HG   GLN  54          1HG       GLN  54  -6.945  -3.633  -9.687
  409   2HG   GLN  54          2HG       GLN  54  -6.687  -2.141  -8.808
  410   1HE2  GLN  54          2HE2      GLN  54  -4.821  -0.920  -9.153
  411   2HE2  GLN  54          1HE2      GLN  54  -3.783  -1.231 -10.527
  412    H    LEU  55           H        LEU  55  -6.724  -4.899  -5.063
  413    HA   LEU  55           HA       LEU  55  -4.549  -6.555  -4.448
  414   1HB   LEU  55          1HB       LEU  55  -6.914  -5.497  -3.111
  415   2HB   LEU  55          2HB       LEU  55  -6.165  -6.891  -2.358
  416    HG   LEU  55           HG       LEU  55  -4.401  -4.696  -3.077
  417   1HD1  LEU  55          1HD1      LEU  55  -6.230  -3.354  -2.300
  418   2HD1  LEU  55          2HD1      LEU  55  -6.357  -4.352  -0.809
  419   3HD1  LEU  55          3HD1      LEU  55  -4.898  -3.339  -1.092
  420   1HD2  LEU  55          1HD2      LEU  55  -4.592  -6.424  -0.619
  421   2HD2  LEU  55          2HD2      LEU  55  -3.456  -6.614  -1.999
  422   3HD2  LEU  55          3HD2      LEU  55  -3.332  -5.178  -0.926
  423    H    LYS  56           H        LYS  56  -7.919  -7.369  -5.194
  424    HA   LYS  56           HA       LYS  56  -7.568 -10.171  -4.652
  425   1HB   LYS  56          1HB       LYS  56  -9.737  -9.208  -4.529
  426   2HB   LYS  56          2HB       LYS  56  -9.630  -8.616  -6.174
  427   1HG   LYS  56          1HG       LYS  56 -10.431 -10.538  -6.966
  428   2HG   LYS  56          2HG       LYS  56  -9.176 -11.442  -6.143
  429   1HD   LYS  56          1HD       LYS  56 -10.505 -11.884  -4.315
  430   2HD   LYS  56          2HD       LYS  56 -11.506 -10.469  -4.569
  431   1HE   LYS  56          1HE       LYS  56 -11.534 -12.601  -6.648
  432   2HE   LYS  56          2HE       LYS  56 -12.399 -12.894  -5.153
  433   1HZ   LYS  56          1HZ       LYS  56 -13.594 -10.850  -5.501
  434   2HZ   LYS  56          2HZ       LYS  56 -12.777 -10.573  -6.914
  435   3HZ   LYS  56          3HZ       LYS  56 -13.805 -11.865  -6.791
  436    H    ASN  57           H        ASN  57  -7.153  -8.134  -7.518
  437    HA   ASN  57           HA       ASN  57  -6.706 -10.166  -9.404
  438   1HB   ASN  57          1HB       ASN  57  -6.331  -7.347  -9.230
  439   2HB   ASN  57          2HB       ASN  57  -4.903  -8.070  -9.941
  440   1HD2  ASN  57          2HD2      ASN  57  -8.301  -7.437 -10.282
  441   2HD2  ASN  57          1HD2      ASN  57  -8.450  -7.972 -11.941
  442    H    LEU  58           H        LEU  58  -4.541  -8.799  -6.967
  443    HA   LEU  58           HA       LEU  58  -2.194 -10.071  -7.929
  444   1HB   LEU  58          1HB       LEU  58  -2.987  -8.453  -5.669
  445   2HB   LEU  58          2HB       LEU  58  -1.818  -9.682  -5.227
  446    HG   LEU  58           HG       LEU  58  -1.526  -7.492  -7.249
  447   1HD1  LEU  58          1HD1      LEU  58  -1.052  -6.906  -4.921
  448   2HD1  LEU  58          2HD1      LEU  58   0.078  -8.300  -4.804
  449   3HD1  LEU  58          3HD1      LEU  58   0.460  -6.923  -5.895
  450   1HD2  LEU  58          1HD2      LEU  58   0.382  -9.816  -6.811
  451   2HD2  LEU  58          2HD2      LEU  58  -0.602  -9.529  -8.288
  452   3HD2  LEU  58          3HD2      LEU  58   0.696  -8.371  -7.834
  453    H    ASP  59           H        ASP  59  -1.061 -11.426  -5.883
  454    HA   ASP  59           HA       ASP  59  -2.767 -13.848  -5.707
  455   1HB   ASP  59          1HB       ASP  59   0.129 -13.388  -6.111
  456   2HB   ASP  59          2HB       ASP  59  -0.338 -14.780  -5.156
  457    H    GLU  60           H        GLU  60  -2.657 -15.089  -3.736
  458    HA   GLU  60           HA       GLU  60  -2.731 -13.508  -1.368
  459   1HB   GLU  60          1HB       GLU  60  -3.425 -16.127  -2.105
  460   2HB   GLU  60          2HB       GLU  60  -2.298 -16.272  -0.771
  461   1HG   GLU  60          1HG       GLU  60  -3.935 -14.218   0.048
  462   2HG   GLU  60          2HG       GLU  60  -5.048 -15.283  -0.785
  463    H    LYS  61           H        LYS  61  -0.138 -14.866  -3.106
  464    HA   LYS  61           HA       LYS  61   1.684 -14.833  -0.821
  465   1HB   LYS  61          1HB       LYS  61   2.078 -15.510  -3.723
  466   2HB   LYS  61          2HB       LYS  61   3.321 -15.626  -2.493
  467   1HG   LYS  61          1HG       LYS  61   0.834 -16.958  -1.725
  468   2HG   LYS  61          2HG       LYS  61   1.549 -17.638  -3.173
  469   1HD   LYS  61          1HD       LYS  61   2.833 -18.841  -1.767
  470   2HD   LYS  61          2HD       LYS  61   3.723 -17.354  -1.516
  471   1HE   LYS  61          1HE       LYS  61   2.355 -16.817   0.421
  472   2HE   LYS  61          2HE       LYS  61   1.351 -18.224   0.136
  473   1HZ   LYS  61          1HZ       LYS  61   3.265 -19.607   0.504
  474   2HZ   LYS  61          2HZ       LYS  61   4.215 -18.278   0.773
  475   3HZ   LYS  61          3HZ       LYS  61   2.989 -18.645   1.823
  476    H    CYS  62           H        CYS  62   0.538 -12.647  -3.208
  477    HA   CYS  62           HA       CYS  62   2.837 -10.856  -2.813
  478   1HB   CYS  62          1HB       CYS  62   0.522 -10.838  -4.703
  479   2HB   CYS  62          2HB       CYS  62   1.726  -9.570  -4.603
  480    H    MET  63           H        MET  63  -0.380 -11.475  -1.721
  481    HA   MET  63           HA       MET  63  -0.918  -8.719  -0.978
  482   1HB   MET  63          1HB       MET  63  -2.258 -11.350  -0.561
  483   2HB   MET  63          2HB       MET  63  -2.863  -9.860   0.134
  484   1HG   MET  63          1HG       MET  63  -3.731  -9.178  -1.794
  485   2HG   MET  63          2HG       MET  63  -2.315  -9.663  -2.707
  486   1HE   MET  63          1HE       MET  63  -4.209 -12.138  -0.375
  487   2HE   MET  63          2HE       MET  63  -5.543 -11.044  -0.884
  488   3HE   MET  63          3HE       MET  63  -5.513 -12.749  -1.451
  489    H    CYS  64           H        CYS  64   1.364  -8.882   0.192
  490    HA   CYS  64           HA       CYS  64   1.057  -8.676   2.932
  491   1HB   CYS  64          1HB       CYS  64   0.930 -10.740   3.742
  492   2HB   CYS  64          2HB       CYS  64   1.228 -11.444   2.166
  493    HA   PRO  65           HA       PRO  65   5.617  -8.882   1.797
  494   1HB   PRO  65          1HB       PRO  65   6.391 -10.030  -0.608
  495   2HB   PRO  65          2HB       PRO  65   6.385 -10.861   0.934
  496   1HG   PRO  65          1HG       PRO  65   4.554 -11.144  -1.322
  497   2HG   PRO  65          2HG       PRO  65   4.814 -12.223   0.034
  498   1HD   PRO  65          1HD       PRO  65   2.652 -10.450  -0.350
  499   2HD   PRO  65          2HD       PRO  65   2.982 -11.429   1.064
  500    H    ALA  66           H        ALA  66   3.443  -8.487  -0.949
  501    HA   ALA  66           HA       ALA  66   5.006  -6.524  -2.290
  502   1HB   ALA  66          1HB       ALA  66   3.266  -7.836  -3.419
  503   2HB   ALA  66          2HB       ALA  66   2.030  -7.084  -2.351
  504   3HB   ALA  66          3HB       ALA  66   2.937  -6.072  -3.530
  505    H    ILE  67           H        ILE  67   2.134  -6.279  -0.100
  506    HA   ILE  67           HA       ILE  67   1.832  -3.574   0.001
  507    HB   ILE  67           HB       ILE  67   1.849  -5.433   2.333
  508   1HG1  ILE  67          1HG1      ILE  67   0.028  -5.107   0.078
  509   2HG1  ILE  67          2HG1      ILE  67   0.322  -6.495   1.106
  510   1HG2  ILE  67          1HG2      ILE  67   1.865  -3.114   3.052
  511   2HG2  ILE  67          2HG2      ILE  67   0.486  -2.756   1.956
  512   3HG2  ILE  67          3HG2      ILE  67   0.255  -3.853   3.362
  513   1HD1  ILE  67          1HD1      ILE  67  -1.026  -5.493   2.882
  514   2HD1  ILE  67          2HD1      ILE  67  -1.327  -4.068   1.827
  515   3HD1  ILE  67          3HD1      ILE  67  -1.964  -5.684   1.361
  516    H    MET  68           H        MET  68   4.154  -5.396   2.050
  517    HA   MET  68           HA       MET  68   5.367  -3.349   3.392
  518   1HB   MET  68          1HB       MET  68   5.911  -5.976   2.866
  519   2HB   MET  68          2HB       MET  68   7.280  -5.155   2.142
  520   1HG   MET  68          1HG       MET  68   7.247  -3.829   4.428
  521   2HG   MET  68          2HG       MET  68   6.442  -5.280   4.991
  522   1HE   MET  68          1HE       MET  68   9.602  -3.579   4.986
  523   2HE   MET  68          2HE       MET  68   9.016  -4.505   6.411
  524   3HE   MET  68          3HE       MET  68  10.584  -4.935   5.641
  525    H    MET  69           H        MET  69   6.125  -4.298   0.029
  526    HA   MET  69           HA       MET  69   7.906  -2.114  -0.442
  527   1HB   MET  69          1HB       MET  69   6.473  -4.116  -2.132
  528   2HB   MET  69          2HB       MET  69   7.494  -2.872  -2.824
  529   1HG   MET  69          1HG       MET  69   8.445  -4.751  -0.690
  530   2HG   MET  69          2HG       MET  69   8.608  -5.095  -2.399
  531   1HE   MET  69          1HE       MET  69  11.240  -5.359  -1.465
  532   2HE   MET  69          2HE       MET  69  10.914  -4.988  -3.194
  533   3HE   MET  69          3HE       MET  69  12.218  -4.114  -2.317
  534    H    MET  70           H        MET  70   4.428  -2.548  -0.997
  535    HA   MET  70           HA       MET  70   3.925  -0.430  -2.720
  536   1HB   MET  70          1HB       MET  70   1.771  -0.943  -2.301
  537   2HB   MET  70          2HB       MET  70   2.466  -2.320  -1.471
  538   1HG   MET  70          1HG       MET  70   0.965  -1.516   0.080
  539   2HG   MET  70          2HG       MET  70   2.467  -0.775   0.593
  540   1HE   MET  70          1HE       MET  70  -0.823  -0.067   1.011
  541   2HE   MET  70          2HE       MET  70   0.487   0.622   2.031
  542   3HE   MET  70          3HE       MET  70  -0.674   1.714   1.200
  543    H    LEU  71           H        LEU  71   4.548  -0.462   0.782
  544    HA   LEU  71           HA       LEU  71   3.824   2.359   0.992
  545   1HB   LEU  71          1HB       LEU  71   4.830   0.393   3.032
  546   2HB   LEU  71          2HB       LEU  71   4.351   2.043   3.377
  547    HG   LEU  71           HG       LEU  71   2.282   0.635   2.005
  548   1HD1  LEU  71          1HD1      LEU  71   3.199  -1.369   2.995
  549   2HD1  LEU  71          2HD1      LEU  71   3.192  -0.578   4.610
  550   3HD1  LEU  71          3HD1      LEU  71   1.639  -0.929   3.774
  551   1HD2  LEU  71          1HD2      LEU  71   2.401   1.892   4.745
  552   2HD2  LEU  71          2HD2      LEU  71   1.907   2.697   3.215
  553   3HD2  LEU  71          3HD2      LEU  71   0.907   1.366   3.894
  554    H    ASN  72           H        ASN  72   6.313   0.815  -0.350
  555    HA   ASN  72           HA       ASN  72   8.314   2.800   0.528
  556   1HB   ASN  72          1HB       ASN  72   8.588  -0.015  -0.462
  557   2HB   ASN  72          2HB       ASN  72   9.938   1.094  -0.324
  558   1HD2  ASN  72          2HD2      ASN  72   9.275  -1.491   1.018
  559   2HD2  ASN  72          1HD2      ASN  72   9.472  -1.128   2.718
  560    H    GLU  73           H        GLU  73   6.142   2.110  -1.862
  561    HA   GLU  73           HA       GLU  73   7.733   2.375  -4.190
  562   1HB   GLU  73          1HB       GLU  73   4.964   2.051  -3.533
  563   2HB   GLU  73          2HB       GLU  73   5.140   3.300  -4.750
  564   1HG   GLU  73          1HG       GLU  73   6.406   1.805  -6.173
  565   2HG   GLU  73          2HG       GLU  73   6.414   0.571  -4.929
  566    HA   PRO  74           HA       PRO  74   8.154   6.712  -4.641
  567   1HB   PRO  74          1HB       PRO  74   7.297   7.260  -7.206
  568   2HB   PRO  74          2HB       PRO  74   8.858   6.577  -6.803
  569   1HG   PRO  74          1HG       PRO  74   6.525   5.273  -8.002
  570   2HG   PRO  74          2HG       PRO  74   8.199   4.753  -7.992
  571   1HD   PRO  74          1HD       PRO  74   6.094   3.802  -6.356
  572   2HD   PRO  74          2HD       PRO  74   7.788   3.363  -6.271
  573    H    MET  75           H        MET  75   5.785   6.008  -3.296
  574    HA   MET  75           HA       MET  75   4.335   8.446  -3.518
  575   1HB   MET  75          1HB       MET  75   3.502   6.607  -5.325
  576   2HB   MET  75          2HB       MET  75   2.493   6.198  -3.954
  577   1HG   MET  75          1HG       MET  75   2.628   9.055  -4.291
  578   2HG   MET  75          2HG       MET  75   2.097   8.288  -5.774
  579   1HE   MET  75          1HE       MET  75   1.224   9.529  -2.324
  580   2HE   MET  75          2HE       MET  75   0.504  10.346  -3.754
  581   3HE   MET  75          3HE       MET  75  -0.560   9.539  -2.549
  582    H    TRP  76           H        TRP  76   5.772   6.494  -1.593
  583    HA   TRP  76           HA       TRP  76   3.943   6.857   0.599
  584   1HB   TRP  76          1HB       TRP  76   4.566   4.095  -0.357
  585   2HB   TRP  76          2HB       TRP  76   3.863   4.477   1.202
  586    HD1  TRP  76           HD       TRP  76   2.842   3.485  -2.192
  587    HE1  TRP  76           1HE      TRP  76   0.370   3.933  -2.628
  588    HE3  TRP  76           3HE      TRP  76   1.910   6.569   1.713
  589    HZ2  TRP  76           2HZ      TRP  76  -1.725   5.531  -1.508
  590    HZ3  TRP  76           3HZ      TRP  76  -0.322   7.579   1.999
  591    HH2  TRP  76           HH       TRP  76  -2.120   7.062   0.395
  592    H    ILE  77           H        ILE  77   5.539   8.016   1.637
  593    HA   ILE  77           HA       ILE  77   8.015   6.522   2.243
  594    HB   ILE  77           HB       ILE  77   7.895   9.297   1.185
  595   1HG1  ILE  77          1HG1      ILE  77   9.728   8.450  -0.276
  596   2HG1  ILE  77          2HG1      ILE  77   9.427   6.850   0.372
  597   1HG2  ILE  77          1HG2      ILE  77   9.230   9.394   3.230
  598   2HG2  ILE  77          2HG2      ILE  77  10.204   7.992   2.664
  599   3HG2  ILE  77          3HG2      ILE  77  10.284   9.557   1.782
  600   1HD1  ILE  77          1HD1      ILE  77   7.100   6.931  -0.446
  601   2HD1  ILE  77          2HD1      ILE  77   7.408   8.573  -1.111
  602   3HD1  ILE  77          3HD1      ILE  77   8.276   7.151  -1.786
  603    H    ARG  78           H        ARG  78   7.047   9.838   3.057
  604    HA   ARG  78           HA       ARG  78   7.220   9.045   5.904
  605   1HB   ARG  78          1HB       ARG  78   7.367  11.413   6.361
  606   2HB   ARG  78          2HB       ARG  78   8.536  10.994   5.124
  607   1HG   ARG  78          1HG       ARG  78   6.525  11.651   3.513
  608   2HG   ARG  78          2HG       ARG  78   6.044  12.609   4.899
  609   1HD   ARG  78          1HD       ARG  78   8.864  12.757   3.956
  610   2HD   ARG  78          2HD       ARG  78   7.626  13.620   3.065
  611    HE   ARG  78           HE       ARG  78   7.437  14.125   5.885
  612   1HH1  ARG  78          1HH2      ARG  78   9.231  15.012   3.018
  613   2HH1  ARG  78          2HH2      ARG  78   9.666  16.585   3.645
  614   1HH2  ARG  78          1HH1      ARG  78   8.002  16.144   6.662
  615   2HH2  ARG  78          2HH1      ARG  78   8.978  17.217   5.685
  616    H    MET  79           H        MET  79   5.098  10.349   3.435
  617    HA   MET  79           HA       MET  79   2.922  11.023   5.153
  618   1HB   MET  79          1HB       MET  79   1.668  10.637   2.866
  619   2HB   MET  79          2HB       MET  79   2.719  12.022   3.085
  620   1HG   MET  79          1HG       MET  79   4.424  11.095   1.797
  621   2HG   MET  79          2HG       MET  79   3.814   9.463   1.993
  622   1HE   MET  79          1HE       MET  79   2.657   8.234   0.363
  623   2HE   MET  79          2HE       MET  79   1.240   8.958   1.199
  624   3HE   MET  79          3HE       MET  79   1.282   8.885  -0.597
  625    H    ARG  80           H        ARG  80   4.162   8.031   3.923
  626    HA   ARG  80           HA       ARG  80   1.728   6.559   4.249
  627   1HB   ARG  80          1HB       ARG  80   3.121   4.593   4.037
  628   2HB   ARG  80          2HB       ARG  80   3.460   5.748   2.764
  629   1HG   ARG  80          1HG       ARG  80   5.561   5.912   3.381
  630   2HG   ARG  80          2HG       ARG  80   5.096   6.277   5.029
  631   1HD   ARG  80          1HD       ARG  80   4.886   3.849   5.421
  632   2HD   ARG  80          2HD       ARG  80   5.568   3.594   3.827
  633    HE   ARG  80           HE       ARG  80   6.974   4.327   6.246
  634   1HH1  ARG  80          1HH2      ARG  80   7.142   4.389   2.753
  635   2HH1  ARG  80          2HH2      ARG  80   8.882   4.560   2.750
  636   1HH2  ARG  80          1HH1      ARG  80   9.228   4.574   6.154
  637   2HH2  ARG  80          2HH1      ARG  80  10.022   4.662   4.598
  638    H    ASP  81           H        ASP  81   4.261   7.598   6.428
  639    HA   ASP  81           HA       ASP  81   4.308   5.719   8.414
  640   1HB   ASP  81          1HB       ASP  81   5.154   8.225   8.203
  641   2HB   ASP  81          2HB       ASP  81   3.768   8.504   9.238
  642    H    GLN  82           H        GLN  82   1.683   7.986   7.687
  643    HA   GLN  82           HA       GLN  82   0.008   6.931   9.800
  644   1HB   GLN  82          1HB       GLN  82   0.035   9.132   8.017
  645   2HB   GLN  82          2HB       GLN  82  -1.516   8.323   7.931
  646   1HG   GLN  82          1HG       GLN  82  -2.031   9.474   9.796
  647   2HG   GLN  82          2HG       GLN  82  -0.996   8.331  10.628
  648   1HE2  GLN  82          2HE2      GLN  82   1.518   9.049   9.909
  649   2HE2  GLN  82          1HE2      GLN  82   1.869  10.690  10.398
  650    H    VAL  83           H        VAL  83  -0.070   6.706   6.250
  651    HA   VAL  83           HA       VAL  83  -2.247   4.923   6.112
  652    HB   VAL  83           HB       VAL  83  -1.810   4.725   3.901
  653   1HG1  VAL  83          1HG1      VAL  83  -2.162   7.049   4.440
  654   2HG1  VAL  83          2HG1      VAL  83  -0.396   7.269   4.695
  655   3HG1  VAL  83          3HG1      VAL  83  -1.028   6.894   3.054
  656   1HG2  VAL  83          1HG2      VAL  83   1.120   5.154   4.400
  657   2HG2  VAL  83          2HG2      VAL  83   0.311   3.597   4.009
  658   3HG2  VAL  83          3HG2      VAL  83   0.345   4.923   2.795
  659    H    MET  84           H        MET  84   0.751   4.357   7.527
  660    HA   MET  84           HA       MET  84   1.193   1.642   6.688
  661   1HB   MET  84          1HB       MET  84   2.495   3.684   8.220
  662   2HB   MET  84          2HB       MET  84   2.409   2.212   9.169
  663   1HG   MET  84          1HG       MET  84   3.232   1.049   7.028
  664   2HG   MET  84          2HG       MET  84   3.698   2.656   6.512
  665   1HE   MET  84          1HE       MET  84   5.757   3.869   7.141
  666   2HE   MET  84          2HE       MET  84   4.850   4.273   8.640
  667   3HE   MET  84          3HE       MET  84   6.556   3.719   8.745
  668    H    SER  85           H        SER  85   0.165   3.252   9.744
  669    HA   SER  85           HA       SER  85  -0.721   0.782  10.925
  670   1HB   SER  85          1HB       SER  85  -0.051   2.936  12.129
  671   2HB   SER  85          2HB       SER  85  -1.649   3.523  11.718
  672    HG   SER  85           HG       SER  85  -1.593   2.506  13.780
  673    H    MET  86           H        MET  86  -1.970   2.442   8.346
  674    HA   MET  86           HA       MET  86  -4.772   1.757   9.012
  675   1HB   MET  86          1HB       MET  86  -3.576   3.641   7.025
  676   2HB   MET  86          2HB       MET  86  -5.288   3.300   7.171
  677   1HG   MET  86          1HG       MET  86  -3.586   4.445   9.358
  678   2HG   MET  86          2HG       MET  86  -4.613   5.385   8.296
  679   1HE   MET  86          1HE       MET  86  -4.557   5.020  11.609
  680   2HE   MET  86          2HE       MET  86  -5.505   6.286  10.752
  681   3HE   MET  86          3HE       MET  86  -6.316   5.201  11.935
  682    H    ALA  87           H        ALA  87  -2.177   1.385   6.679
  683    HA   ALA  87           HA       ALA  87  -3.775  -0.370   4.975
  684   1HB   ALA  87          1HB       ALA  87  -2.394   1.335   3.871
  685   2HB   ALA  87          2HB       ALA  87  -0.935   0.667   4.684
  686   3HB   ALA  87          3HB       ALA  87  -1.819  -0.321   3.469
  687    H    HIS  88           H        HIS  88  -2.872  -0.958   7.823
  688    HA   HIS  88           HA       HIS  88  -1.299  -3.389   7.252
  689   1HB   HIS  88          1HB       HIS  88  -0.540  -3.336   9.417
  690   2HB   HIS  88          2HB       HIS  88  -0.547  -1.655   8.927
  691    HD1  HIS  88           1HD      HIS  88  -0.825  -3.045  11.961
  692    HD2  HIS  88           2HD      HIS  88  -3.704  -1.076   9.595
  693    HE1  HIS  88           1HE      HIS  88  -2.601  -2.121  13.585
  694    HE2  HIS  88           2HE      HIS  88  -4.372  -0.965  12.122
  695    H    ASN  89           H        ASN  89  -4.355  -2.160   8.347
  696    HA   ASN  89           HA       ASN  89  -5.299  -4.897   8.885
  697   1HB   ASN  89          1HB       ASN  89  -6.102  -2.204   9.862
  698   2HB   ASN  89          2HB       ASN  89  -7.330  -3.446   9.707
  699   1HD2  ASN  89          2HD2      ASN  89  -3.914  -3.914  10.495
  700   2HD2  ASN  89          1HD2      ASN  89  -4.180  -4.505  12.119
  701    H    LEU  90           H        LEU  90  -5.764  -1.966   6.894
  702    HA   LEU  90           HA       LEU  90  -8.127  -2.685   5.594
  703   1HB   LEU  90          1HB       LEU  90  -5.693  -1.151   4.892
  704   2HB   LEU  90          2HB       LEU  90  -6.842  -1.517   3.621
  705    HG   LEU  90           HG       LEU  90  -7.654  -0.212   6.192
  706   1HD1  LEU  90          1HD1      LEU  90  -5.954   1.193   5.105
  707   2HD1  LEU  90          2HD1      LEU  90  -6.879   1.094   3.567
  708   3HD1  LEU  90          3HD1      LEU  90  -7.588   1.935   4.989
  709   1HD2  LEU  90          1HD2      LEU  90  -8.911  -0.294   3.434
  710   2HD2  LEU  90          2HD2      LEU  90  -9.454  -1.238   4.863
  711   3HD2  LEU  90          3HD2      LEU  90  -9.577   0.555   4.872
  712    HA   PRO  91           HA       PRO  91  -5.759  -5.422   2.628
  713   1HB   PRO  91          1HB       PRO  91  -3.245  -6.257   3.280
  714   2HB   PRO  91          2HB       PRO  91  -3.606  -4.921   2.205
  715   1HG   PRO  91          1HG       PRO  91  -2.573  -4.864   4.939
  716   2HG   PRO  91          2HG       PRO  91  -2.535  -3.611   3.715
  717   1HD   PRO  91          1HD       PRO  91  -4.310  -3.824   5.909
  718   2HD   PRO  91          2HD       PRO  91  -4.327  -2.622   4.635
  719    H    ILE  92           H        ILE  92  -5.667  -5.769   6.057
  720    HA   ILE  92           HA       ILE  92  -5.624  -8.686   5.868
  721    HB   ILE  92           HB       ILE  92  -5.533  -6.630   7.978
  722   1HG1  ILE  92          1HG1      ILE  92  -3.833  -8.767   6.947
  723   2HG1  ILE  92          2HG1      ILE  92  -3.418  -7.174   7.548
  724   1HG2  ILE  92          1HG2      ILE  92  -7.326  -8.051   8.780
  725   2HG2  ILE  92          2HG2      ILE  92  -6.303  -9.505   8.515
  726   3HG2  ILE  92          3HG2      ILE  92  -5.842  -8.297   9.764
  727   1HD1  ILE  92          1HD1      ILE  92  -3.695  -7.948   9.861
  728   2HD1  ILE  92          2HD1      ILE  92  -4.121  -9.583   9.245
  729   3HD1  ILE  92          3HD1      ILE  92  -2.471  -8.923   8.975
  730    H    GLU  93           H        GLU  93  -7.892  -6.081   6.659
  731    HA   GLU  93           HA       GLU  93 -10.080  -7.570   7.488
  732   1HB   GLU  93          1HB       GLU  93 -11.434  -5.643   6.830
  733   2HB   GLU  93          2HB       GLU  93 -10.014  -5.174   7.741
  734   1HG   GLU  93          1HG       GLU  93  -8.902  -4.477   5.773
  735   2HG   GLU  93          2HG       GLU  93 -10.182  -5.123   4.766
  736    H    CYS  94           H        CYS  94  -8.987  -6.674   4.240
  737    HA   CYS  94           HA       CYS  94 -11.257  -7.895   2.959
  738   1HB   CYS  94          1HB       CYS  94  -8.765  -6.582   2.116
  739   2HB   CYS  94          2HB       CYS  94  -9.438  -7.761   1.009
  740    H    ASN  95           H        ASN  95  -8.227  -8.943   4.222
  741    HA   ASN  95           HA       ASN  95  -7.685 -11.132   4.788
  742   1HB   ASN  95          1HB       ASN  95 -10.065 -11.757   3.939
  743   2HB   ASN  95          2HB       ASN  95  -9.223 -12.223   2.476
  744   1HD2  ASN  95          2HD2      ASN  95  -6.989 -13.432   3.203
  745   2HD2  ASN  95          1HD2      ASN  95  -7.299 -14.767   4.291
  746    H    LEU  96           H        LEU  96  -6.533  -9.132   3.000
  747    HA   LEU  96           HA       LEU  96  -5.406 -10.600   0.780
  748   1HB   LEU  96          1HB       LEU  96  -4.555  -7.894   1.659
  749   2HB   LEU  96          2HB       LEU  96  -4.503  -8.601   0.057
  750    HG   LEU  96           HG       LEU  96  -7.090  -8.079   1.432
  751   1HD1  LEU  96          1HD1      LEU  96  -5.906  -5.981   1.507
  752   2HD1  LEU  96          2HD1      LEU  96  -5.538  -6.121  -0.248
  753   3HD1  LEU  96          3HD1      LEU  96  -7.238  -5.916   0.302
  754   1HD2  LEU  96          1HD2      LEU  96  -6.322  -8.293  -1.485
  755   2HD2  LEU  96          2HD2      LEU  96  -7.174  -9.538  -0.508
  756   3HD2  LEU  96          3HD2      LEU  96  -7.976  -7.968  -0.859
  757    H    MET  97           H        MET  97  -4.140  -8.994   3.696
  758    HA   MET  97           HA       MET  97  -1.890 -10.888   3.650
  759   1HB   MET  97          1HB       MET  97  -0.438  -9.218   4.410
  760   2HB   MET  97          2HB       MET  97  -1.369  -8.484   3.120
  761   1HG   MET  97          1HG       MET  97  -1.819  -6.849   4.550
  762   2HG   MET  97          2HG       MET  97  -2.884  -7.988   5.349
  763   1HE   MET  97          1HE       MET  97   0.617  -6.304   5.320
  764   2HE   MET  97          2HE       MET  97  -0.682  -5.357   6.125
  765   3HE   MET  97          3HE       MET  97   0.707  -5.974   7.085
  766    H    SER  98           H        SER  98  -4.591 -11.060   4.984
  767    HA   SER  98           HA       SER  98  -4.802 -10.488   7.582
  768   1HB   SER  98          1HB       SER  98  -6.399 -11.885   6.480
  769   2HB   SER  98          2HB       SER  98  -5.246 -13.201   6.397
  770    HG   SER  98           HG       SER  98  -6.688 -13.410   8.172
  771    H    GLN  99           H        GLN  99  -3.490 -13.738   7.033
  772    HA   GLN  99           HA       GLN  99  -1.032 -12.967   8.448
  773   1HB   GLN  99          1HB       GLN  99  -3.214 -14.042   9.753
  774   2HB   GLN  99          2HB       GLN  99  -2.133 -15.404   9.539
  775   1HG   GLN  99          1HG       GLN  99  -0.326 -13.659  10.339
  776   2HG   GLN  99          2HG       GLN  99  -1.721 -12.891  11.070
  777   1HE2  GLN  99          2HE2      GLN  99  -3.247 -14.519  12.236
  778   2HE2  GLN  99          1HE2      GLN  99  -2.439 -15.695  13.250
  779    HA   PRO 100           HA       PRO 100  -0.754 -16.254   5.134
  780   1HB   PRO 100          1HB       PRO 100   0.436 -14.770   3.126
  781   2HB   PRO 100          2HB       PRO 100  -1.274 -15.142   3.205
  782   1HG   PRO 100          1HG       PRO 100   0.070 -12.613   3.686
  783   2HG   PRO 100          2HG       PRO 100  -1.635 -12.925   3.437
  784   1HD   PRO 100          1HD       PRO 100  -0.291 -12.416   5.891
  785   2HD   PRO 100          2HD       PRO 100  -1.994 -12.746   5.644
  786    H    CYS 101           H        CYS 101   1.610 -13.512   5.297
  787    HA   CYS 101           HA       CYS 101   3.937 -14.806   4.821
  788   1HB   CYS 101          1HB       CYS 101   3.967 -13.117   7.200
  789   2HB   CYS 101          2HB       CYS 101   4.953 -13.055   5.752
  790    H    GLN 102           H        GLN 102   4.940 -16.523   5.539
  791    HA   GLN 102           HA       GLN 102   4.397 -17.418   8.313
  792   1HB   GLN 102          1HB       GLN 102   4.733 -19.118   5.863
  793   2HB   GLN 102          2HB       GLN 102   4.608 -19.727   7.501
  794   1HG   GLN 102          1HG       GLN 102   2.433 -18.092   7.322
  795   2HG   GLN 102          2HG       GLN 102   2.534 -18.750   5.702
  796   1HE2  GLN 102          2HE2      GLN 102   0.713 -20.010   5.770
  797   2HE2  GLN 102          1HE2      GLN 102   0.581 -21.413   6.807
  798    H    MET 103           H        MET 103   6.112 -19.254   8.834
  799    HA   MET 103           HA       MET 103   8.702 -17.949   8.701
  800   1HB   MET 103          1HB       MET 103   7.569 -19.197  10.657
  801   2HB   MET 103          2HB       MET 103   8.186 -20.641   9.879
  802   1HG   MET 103          1HG       MET 103  10.433 -19.915  10.094
  803   2HG   MET 103          2HG       MET 103   9.942 -18.285  10.509
  804   1HE   MET 103          1HE       MET 103  10.889 -17.694  12.707
  805   2HE   MET 103          2HE       MET 103   9.106 -17.469  12.772
  806   3HE   MET 103          3HE       MET 103   9.973 -18.187  14.174
  Start of MODEL   12
    1    HA   PRO   1           HA       PRO   1  15.913   8.050  -5.539
    2   1HB   PRO   1          1HB       PRO   1  14.288   7.272  -7.601
    3   2HB   PRO   1          2HB       PRO   1  13.897   7.074  -5.905
    4   1HG   PRO   1          1HG       PRO   1  12.792   8.987  -7.841
    5   2HG   PRO   1          2HG       PRO   1  12.145   8.497  -6.288
    6   1HD   PRO   1          1HD       PRO   1  13.565  10.893  -6.910
    7   2HD   PRO   1          2HD       PRO   1  12.934  10.394  -5.354
    8    H    TYR   2           H        TYR   2  16.472   6.781  -7.680
    9    HA   TYR   2           HA       TYR   2  17.864   8.664  -9.494
   10   1HB   TYR   2          1HB       TYR   2  19.764   7.092  -9.449
   11   2HB   TYR   2          2HB       TYR   2  19.459   7.832  -7.890
   12    HD1  TYR   2           1HD      TYR   2  18.124   6.473  -6.138
   13    HD2  TYR   2           2HD      TYR   2  19.805   4.733  -9.709
   14    HE1  TYR   2           1HE      TYR   2  17.948   4.221  -5.121
   15    HE2  TYR   2           2HE      TYR   2  19.639   2.478  -8.686
   16    HH   TYR   2           HH       TYR   2  19.069   1.321  -6.857
   17    H    GLY   3           H        GLY   3  16.780   5.311  -8.942
   18   1HA   GLY   3          1HA       GLY   3  16.304   3.615 -10.402
   19   2HA   GLY   3          2HA       GLY   3  15.333   4.840 -11.193
   20    H    ARG   4           H        ARG   4  18.340   3.054 -11.227
   21    HA   ARG   4           HA       ARG   4  18.698   3.865 -14.046
   22   1HB   ARG   4          1HB       ARG   4  20.233   5.096 -12.334
   23   2HB   ARG   4          2HB       ARG   4  21.102   3.575 -12.304
   24   1HG   ARG   4          1HG       ARG   4  22.190   4.729 -14.014
   25   2HG   ARG   4          2HG       ARG   4  21.024   3.767 -14.900
   26   1HD   ARG   4          1HD       ARG   4  19.476   5.725 -14.872
   27   2HD   ARG   4          2HD       ARG   4  20.753   6.671 -14.134
   28    HE   ARG   4           HE       ARG   4  21.610   5.392 -16.576
   29   1HH1  ARG   4          1HH2      ARG   4  19.921   8.197 -15.322
   30   2HH1  ARG   4          2HH2      ARG   4  20.261   9.161 -16.742
   31   1HH2  ARG   4          1HH1      ARG   4  22.022   6.656 -18.379
   32   2HH2  ARG   4          2HH1      ARG   4  21.432   8.302 -18.446
   33    H    GLY   5           H        GLY   5  17.854   1.881 -14.701
   34   1HA   GLY   5          1HA       GLY   5  19.177  -0.178 -15.515
   35   2HA   GLY   5          2HA       GLY   5  19.353  -0.517 -13.805
   36    H    ARG   6           H        ARG   6  18.187  -2.322 -15.553
   37    HA   ARG   6           HA       ARG   6  15.377  -2.209 -15.681
   38   1HB   ARG   6          1HB       ARG   6  17.389  -4.396 -15.745
   39   2HB   ARG   6          2HB       ARG   6  15.696  -4.819 -15.573
   40   1HG   ARG   6          1HG       ARG   6  15.127  -3.842 -17.641
   41   2HG   ARG   6          2HG       ARG   6  16.626  -2.939 -17.722
   42   1HD   ARG   6          1HD       ARG   6  17.165  -5.762 -17.520
   43   2HD   ARG   6          2HD       ARG   6  16.096  -5.443 -18.870
   44    HE   ARG   6           HE       ARG   6  18.374  -3.646 -18.740
   45   1HH1  ARG   6          1HH2      ARG   6  17.264  -6.743 -19.933
   46   2HH1  ARG   6          2HH2      ARG   6  18.466  -6.802 -21.202
   47   1HH2  ARG   6          1HH1      ARG   6  19.898  -3.745 -20.382
   48   2HH2  ARG   6          2HH1      ARG   6  19.936  -5.127 -21.453
   49    H    THR   7           H        THR   7  14.087  -4.052 -14.549
   50    HA   THR   7           HA       THR   7  14.118  -3.417 -11.702
   51    HB   THR   7           HB       THR   7  11.945  -4.558 -11.764
   52    HG1  THR   7           1HG      THR   7  11.346  -5.425 -13.837
   53   1HG2  THR   7          1HG2      THR   7  12.032  -2.171 -12.576
   54   2HG2  THR   7          2HG2      THR   7  12.343  -2.799 -14.232
   55   3HG2  THR   7          3HG2      THR   7  10.776  -3.142 -13.421
   56    H    GLU   8           H        GLU   8  13.034  -5.703 -10.614
   57    HA   GLU   8           HA       GLU   8  14.441  -8.086 -11.255
   58   1HB   GLU   8          1HB       GLU   8  16.000  -6.207  -9.858
   59   2HB   GLU   8          2HB       GLU   8  15.549  -7.438  -8.696
   60   1HG   GLU   8          1HG       GLU   8  16.245  -9.109 -10.561
   61   2HG   GLU   8          2HG       GLU   8  17.098  -7.740 -11.243
   62    H    SER   9           H        SER   9  12.847  -6.091  -8.873
   63    HA   SER   9           HA       SER   9  12.064  -7.992  -7.005
   64   1HB   SER   9          1HB       SER   9   9.945  -6.108  -7.555
   65   2HB   SER   9          2HB       SER   9  10.918  -6.308  -6.111
   66    HG   SER   9           HG       SER   9  11.201  -4.248  -7.079
   67    H    GLY  10           H        GLY  10   9.552  -8.478  -6.691
   68   1HA   GLY  10          1HA       GLY  10   8.647  -9.744  -9.231
   69   2HA   GLY  10          2HA       GLY  10   8.577 -10.573  -7.689
   70    H    CYS  11           H        CYS  11   7.041  -9.933  -6.115
   71    HA   CYS  11           HA       CYS  11   4.517  -9.326  -6.984
   72   1HB   CYS  11          1HB       CYS  11   5.625  -8.486  -4.349
   73   2HB   CYS  11          2HB       CYS  11   3.942  -8.771  -4.743
   74    H    TYR  12           H        TYR  12   6.661  -6.959  -5.378
   75    HA   TYR  12           HA       TYR  12   5.401  -4.600  -5.748
   76   1HB   TYR  12          1HB       TYR  12   7.533  -4.721  -4.757
   77   2HB   TYR  12          2HB       TYR  12   8.250  -5.366  -6.220
   78    HD1  TYR  12           1HD      TYR  12   9.632  -3.926  -7.377
   79    HD2  TYR  12           2HD      TYR  12   6.242  -2.333  -5.276
   80    HE1  TYR  12           1HE      TYR  12  10.291  -1.647  -8.079
   81    HE2  TYR  12           2HE      TYR  12   6.902  -0.046  -5.957
   82    HH   TYR  12           HH       TYR  12   8.342   1.193  -7.101
   83    H    GLN  13           H        GLN  13   7.477  -6.082  -8.249
   84    HA   GLN  13           HA       GLN  13   7.024  -4.211 -10.266
   85   1HB   GLN  13          1HB       GLN  13   8.702  -5.999 -10.388
   86   2HB   GLN  13          2HB       GLN  13   7.420  -7.179 -10.569
   87   1HG   GLN  13          1HG       GLN  13   7.014  -6.603 -12.729
   88   2HG   GLN  13          2HG       GLN  13   7.327  -4.904 -12.439
   89   1HE2  GLN  13          2HE2      GLN  13   8.678  -7.881 -13.630
   90   2HE2  GLN  13          1HE2      GLN  13  10.290  -7.253 -13.894
   91    H    GLN  14           H        GLN  14   5.137  -7.173  -9.555
   92    HA   GLN  14           HA       GLN  14   3.166  -6.590 -11.552
   93   1HB   GLN  14          1HB       GLN  14   3.137  -8.425  -9.178
   94   2HB   GLN  14          2HB       GLN  14   1.863  -8.353 -10.378
   95   1HG   GLN  14          1HG       GLN  14   3.066  -9.545 -11.874
   96   2HG   GLN  14          2HG       GLN  14   4.514  -8.605 -11.574
   97   1HE2  GLN  14          2HE2      GLN  14   4.956  -9.050  -8.901
   98   2HE2  GLN  14          1HE2      GLN  14   5.294 -10.745  -8.634
   99    H    MET  15           H        MET  15   3.716  -5.301  -8.460
  100    HA   MET  15           HA       MET  15   1.035  -4.658  -7.726
  101   1HB   MET  15          1HB       MET  15   3.284  -4.740  -6.339
  102   2HB   MET  15          2HB       MET  15   3.354  -3.057  -6.819
  103   1HG   MET  15          1HG       MET  15   0.869  -3.057  -6.036
  104   2HG   MET  15          2HG       MET  15   1.382  -4.452  -5.107
  105   1HE   MET  15          1HE       MET  15   2.839  -4.466  -3.136
  106   2HE   MET  15          2HE       MET  15   4.181  -4.099  -4.275
  107   3HE   MET  15          3HE       MET  15   4.026  -3.175  -2.740
  108    H    GLU  16           H        GLU  16   3.788  -2.570  -8.806
  109    HA   GLU  16           HA       GLU  16   2.321  -0.251  -9.208
  110   1HB   GLU  16          1HB       GLU  16   4.064   0.124 -11.101
  111   2HB   GLU  16          2HB       GLU  16   4.592   0.028  -9.433
  112   1HG   GLU  16          1HG       GLU  16   5.501  -2.082  -9.705
  113   2HG   GLU  16          2HG       GLU  16   4.506  -2.440 -11.102
  114    H    GLU  17           H        GLU  17   2.675  -3.013 -11.393
  115    HA   GLU  17           HA       GLU  17   1.317  -1.830 -13.605
  116   1HB   GLU  17          1HB       GLU  17   2.688  -4.176 -13.163
  117   2HB   GLU  17          2HB       GLU  17   1.036  -4.720 -13.379
  118   1HG   GLU  17          1HG       GLU  17   0.883  -3.535 -15.495
  119   2HG   GLU  17          2HG       GLU  17   2.483  -2.858 -15.265
  120    H    ALA  18           H        ALA  18   0.236  -3.404 -10.696
  121    HA   ALA  18           HA       ALA  18  -2.538  -2.816 -11.464
  122   1HB   ALA  18          1HB       ALA  18  -2.181  -5.201 -11.857
  123   2HB   ALA  18          2HB       ALA  18  -1.532  -5.382 -10.191
  124   3HB   ALA  18          3HB       ALA  18  -3.260  -4.954 -10.439
  125    H    GLU  19           H        GLU  19  -1.448  -0.915 -10.121
  126    HA   GLU  19           HA       GLU  19  -0.747  -0.987  -7.502
  127   1HB   GLU  19          1HB       GLU  19  -2.184   1.263  -7.480
  128   2HB   GLU  19          2HB       GLU  19  -0.628   1.123  -8.275
  129   1HG   GLU  19          1HG       GLU  19  -1.565   1.035 -10.386
  130   2HG   GLU  19          2HG       GLU  19  -3.109   0.463  -9.790
  131    H    MET  20           H        MET  20  -1.675  -2.478  -6.175
  132    HA   MET  20           HA       MET  20  -4.586  -2.747  -6.171
  133   1HB   MET  20          1HB       MET  20  -4.242  -4.763  -5.070
  134   2HB   MET  20          2HB       MET  20  -2.760  -4.631  -5.996
  135   1HG   MET  20          1HG       MET  20  -3.061  -3.706  -3.154
  136   2HG   MET  20          2HG       MET  20  -2.421  -5.271  -3.613
  137   1HE   MET  20          1HE       MET  20  -0.329  -4.608  -2.033
  138   2HE   MET  20          2HE       MET  20  -0.020  -5.662  -3.456
  139   3HE   MET  20          3HE       MET  20   1.110  -4.317  -3.073
  140    H    LEU  21           H        LEU  21  -2.007  -1.189  -4.466
  141    HA   LEU  21           HA       LEU  21  -3.915  -0.248  -2.442
  142   1HB   LEU  21          1HB       LEU  21  -1.179  -1.335  -2.035
  143   2HB   LEU  21          2HB       LEU  21  -1.944  -0.268  -0.876
  144    HG   LEU  21           HG       LEU  21  -3.615  -2.505  -1.580
  145   1HD1  LEU  21          1HD1      LEU  21  -1.526  -3.695  -1.895
  146   2HD1  LEU  21          2HD1      LEU  21  -0.954  -3.124  -0.290
  147   3HD1  LEU  21          3HD1      LEU  21  -2.353  -4.249  -0.397
  148   1HD2  LEU  21          1HD2      LEU  21  -2.518  -1.533   1.064
  149   2HD2  LEU  21          2HD2      LEU  21  -4.089  -1.070   0.323
  150   3HD2  LEU  21          3HD2      LEU  21  -3.810  -2.764   0.854
  151    H    ASN  22           H        ASN  22  -4.025   1.300  -4.279
  152    HA   ASN  22           HA       ASN  22  -2.041   3.451  -3.768
  153   1HB   ASN  22          1HB       ASN  22  -1.550   2.443  -5.953
  154   2HB   ASN  22          2HB       ASN  22  -3.211   2.711  -6.442
  155   1HD2  ASN  22          2HD2      ASN  22  -0.656   4.613  -4.858
  156   2HD2  ASN  22          1HD2      ASN  22  -0.931   6.073  -5.781
  157    H    HIS  23           H        HIS  23  -5.232   2.518  -5.004
  158    HA   HIS  23           HA       HIS  23  -6.269   5.195  -4.996
  159   1HB   HIS  23          1HB       HIS  23  -7.665   2.539  -5.009
  160   2HB   HIS  23          2HB       HIS  23  -8.417   4.085  -5.347
  161    HD1  HIS  23           1HD      HIS  23  -8.636   4.605  -7.817
  162    HD2  HIS  23           2HD      HIS  23  -5.463   1.981  -6.870
  163    HE1  HIS  23           1HE      HIS  23  -7.549   3.927 -10.054
  164    HE2  HIS  23           2HE      HIS  23  -5.692   2.269  -9.457
  165    H    CYS  24           H        CYS  24  -6.756   2.335  -2.875
  166    HA   CYS  24           HA       CYS  24  -8.211   3.648  -0.867
  167   1HB   CYS  24          1HB       CYS  24  -6.506   1.248  -0.977
  168   2HB   CYS  24          2HB       CYS  24  -6.812   1.921   0.611
  169    H    GLY  25           H        GLY  25  -4.887   4.015  -1.754
  170   1HA   GLY  25          1HA       GLY  25  -3.744   4.952   0.583
  171   2HA   GLY  25          2HA       GLY  25  -3.326   5.465  -1.039
  172    H    MET  26           H        MET  26  -5.335   6.980  -1.953
  173    HA   MET  26           HA       MET  26  -5.131   9.445  -0.762
  174   1HB   MET  26          1HB       MET  26  -6.677   8.265  -2.790
  175   2HB   MET  26          2HB       MET  26  -7.809   9.082  -1.730
  176   1HG   MET  26          1HG       MET  26  -7.257  10.835  -3.090
  177   2HG   MET  26          2HG       MET  26  -5.988  11.006  -1.896
  178   1HE   MET  26          1HE       MET  26  -5.226  12.491  -4.260
  179   2HE   MET  26          2HE       MET  26  -4.029  12.018  -3.005
  180   3HE   MET  26          3HE       MET  26  -3.639  11.801  -4.747
  181    H    TYR  27           H        TYR  27  -7.752   7.060  -0.184
  182    HA   TYR  27           HA       TYR  27  -9.279   8.425   1.665
  183   1HB   TYR  27          1HB       TYR  27  -9.725   6.225   0.700
  184   2HB   TYR  27          2HB       TYR  27  -8.436   5.542   1.670
  185    HD1  TYR  27           1HD      TYR  27  -9.119   4.287   3.496
  186    HD2  TYR  27           2HD      TYR  27 -11.466   7.664   2.212
  187    HE1  TYR  27           1HE      TYR  27 -10.750   3.834   5.317
  188    HE2  TYR  27           2HE      TYR  27 -13.093   7.221   4.030
  189    HH   TYR  27           HH       TYR  27 -13.643   5.914   5.716
  190    H    LEU  28           H        LEU  28  -6.196   6.849   2.178
  191    HA   LEU  28           HA       LEU  28  -6.219   7.468   5.039
  192   1HB   LEU  28          1HB       LEU  28  -3.978   6.103   3.671
  193   2HB   LEU  28          2HB       LEU  28  -4.572   5.911   5.308
  194    HG   LEU  28           HG       LEU  28  -6.240   5.042   3.030
  195   1HD1  LEU  28          1HD1      LEU  28  -4.113   4.042   2.487
  196   2HD1  LEU  28          2HD1      LEU  28  -3.975   3.397   4.160
  197   3HD1  LEU  28          3HD1      LEU  28  -5.264   2.789   3.065
  198   1HD2  LEU  28          1HD2      LEU  28  -5.944   4.061   5.855
  199   2HD2  LEU  28          2HD2      LEU  28  -7.268   5.081   5.191
  200   3HD2  LEU  28          3HD2      LEU  28  -7.069   3.386   4.625
  201    H    MET  29           H        MET  29  -4.877   8.563   2.058
  202    HA   MET  29           HA       MET  29  -2.929  10.312   3.309
  203   1HB   MET  29          1HB       MET  29  -3.047   8.955   0.890
  204   2HB   MET  29          2HB       MET  29  -3.241  10.647   0.478
  205   1HG   MET  29          1HG       MET  29  -1.228  11.200   1.725
  206   2HG   MET  29          2HG       MET  29  -1.046   9.525   2.202
  207   1HE   MET  29          1HE       MET  29  -1.156  12.036  -0.784
  208   2HE   MET  29          2HE       MET  29   0.387  12.067   0.138
  209   3HE   MET  29          3HE       MET  29   0.372  11.512  -1.572
  210    H    LYS  30           H        LYS  30  -6.056  10.534   3.287
  211    HA   LYS  30           HA       LYS  30  -6.376  13.139   2.006
  212   1HB   LYS  30          1HB       LYS  30  -8.162  11.026   3.034
  213   2HB   LYS  30          2HB       LYS  30  -8.751  12.669   3.180
  214   1HG   LYS  30          1HG       LYS  30  -7.559  12.140   0.572
  215   2HG   LYS  30          2HG       LYS  30  -8.918  11.088   0.911
  216   1HD   LYS  30          1HD       LYS  30 -10.401  12.763   0.658
  217   2HD   LYS  30          2HD       LYS  30  -9.450  13.855   1.646
  218   1HE   LYS  30          1HE       LYS  30  -8.096  13.446  -0.838
  219   2HE   LYS  30          2HE       LYS  30  -9.759  13.886  -1.167
  220   1HZ   LYS  30          1HZ       LYS  30  -9.489  15.782   0.254
  221   2HZ   LYS  30          2HZ       LYS  30  -7.917  15.367   0.566
  222   3HZ   LYS  30          3HZ       LYS  30  -8.368  15.811  -0.964
  223    H    ASN  31           H        ASN  31  -5.823  11.683   5.102
  224    HA   ASN  31           HA       ASN  31  -6.194  14.285   6.438
  225   1HB   ASN  31          1HB       ASN  31  -6.323  11.494   7.208
  226   2HB   ASN  31          2HB       ASN  31  -5.307  12.423   8.291
  227   1HD2  ASN  31          2HD2      ASN  31  -7.766  11.181   8.959
  228   2HD2  ASN  31          1HD2      ASN  31  -8.891  12.442   9.410
  229    H    LEU  32           H        LEU  32  -3.791  12.425   4.936
  230    HA   LEU  32           HA       LEU  32  -1.609  13.297   6.619
  231   1HB   LEU  32          1HB       LEU  32  -1.748  11.906   3.975
  232   2HB   LEU  32          2HB       LEU  32  -0.235  12.335   4.747
  233    HG   LEU  32           HG       LEU  32  -2.348  10.581   5.946
  234   1HD1  LEU  32          1HD1      LEU  32  -1.306   9.552   4.003
  235   2HD1  LEU  32          2HD1      LEU  32   0.317   9.918   4.684
  236   3HD1  LEU  32          3HD1      LEU  32  -0.765   8.750   5.518
  237   1HD2  LEU  32          1HD2      LEU  32   0.467  11.220   6.866
  238   2HD2  LEU  32          2HD2      LEU  32  -1.052  11.790   7.639
  239   3HD2  LEU  32          3HD2      LEU  32  -0.648  10.039   7.635
  240    H    GLY  33           H        GLY  33  -3.398  14.621   4.010
  241   1HA   GLY  33          1HA       GLY  33  -3.094  17.073   3.769
  242   2HA   GLY  33          2HA       GLY  33  -1.374  16.762   3.653
  243    H    GLU  34           H        GLU  34  -2.902  18.155   1.729
  244    HA   GLU  34           HA       GLU  34  -2.318  16.467  -0.591
  245   1HB   GLU  34          1HB       GLU  34  -4.805  16.259   0.122
  246   2HB   GLU  34          2HB       GLU  34  -4.953  17.861  -0.575
  247   1HG   GLU  34          1HG       GLU  34  -4.593  17.113  -2.713
  248   2HG   GLU  34          2HG       GLU  34  -3.519  15.830  -2.195
  249    H    ARG  35           H        ARG  35  -0.837  17.653  -1.579
  250    HA   ARG  35           HA       ARG  35  -0.986  20.557  -1.525
  251   1HB   ARG  35          1HB       ARG  35   1.072  20.412  -2.902
  252   2HB   ARG  35          2HB       ARG  35   1.185  19.542  -1.386
  253   1HG   ARG  35          1HG       ARG  35   1.270  17.498  -2.407
  254   2HG   ARG  35          2HG       ARG  35   0.225  17.995  -3.722
  255   1HD   ARG  35          1HD       ARG  35   1.956  18.651  -5.016
  256   2HD   ARG  35          2HD       ARG  35   2.829  19.342  -3.663
  257    HE   ARG  35           HE       ARG  35   2.956  16.595  -3.289
  258   1HH1  ARG  35          1HH2      ARG  35   3.962  18.825  -5.789
  259   2HH1  ARG  35          2HH2      ARG  35   5.310  17.826  -6.286
  260   1HH2  ARG  35          1HH1      ARG  35   4.698  15.337  -3.936
  261   2HH2  ARG  35          2HH1      ARG  35   5.722  15.874  -5.248
  262    H    SER  36           H        SER  36  -0.885  21.862  -3.473
  263    HA   SER  36           HA       SER  36  -1.406  20.991  -6.063
  264   1HB   SER  36          1HB       SER  36  -3.664  20.489  -4.558
  265   2HB   SER  36          2HB       SER  36  -4.013  22.038  -5.298
  266    HG   SER  36           HG       SER  36  -4.657  20.272  -6.619
  267    H    GLN  37           H        GLN  37  -2.079  22.751  -7.509
  268    HA   GLN  37           HA       GLN  37  -2.490  25.384  -6.529
  269   1HB   GLN  37          1HB       GLN  37   0.065  24.743  -6.075
  270   2HB   GLN  37          2HB       GLN  37   0.208  25.293  -7.733
  271   1HG   GLN  37          1HG       GLN  37  -1.354  27.245  -6.741
  272   2HG   GLN  37          2HG       GLN  37  -0.469  26.813  -5.292
  273   1HE2  GLN  37          2HE2      GLN  37   1.015  28.369  -5.007
  274   2HE2  GLN  37          1HE2      GLN  37   2.144  28.908  -6.228
  275    H    VAL  38           H        VAL  38  -4.083  24.583  -8.208
  276    HA   VAL  38           HA       VAL  38  -3.597  25.994 -10.649
  277    HB   VAL  38           HB       VAL  38  -2.218  23.947 -11.009
  278   1HG1  VAL  38          1HG1      VAL  38  -3.551  22.285  -9.853
  279   2HG1  VAL  38          2HG1      VAL  38  -4.881  22.519 -11.041
  280   3HG1  VAL  38          3HG1      VAL  38  -3.311  21.823 -11.574
  281   1HG2  VAL  38          1HG2      VAL  38  -4.531  24.394 -12.894
  282   2HG2  VAL  38          2HG2      VAL  38  -2.965  25.278 -12.873
  283   3HG2  VAL  38          3HG2      VAL  38  -3.005  23.532 -13.300
  284    H    SER  39           H        SER  39  -5.511  26.265 -11.816
  285    HA   SER  39           HA       SER  39  -7.894  26.371 -10.566
  286   1HB   SER  39          1HB       SER  39  -7.043  26.516 -13.260
  287   2HB   SER  39          2HB       SER  39  -8.525  25.584 -13.201
  288    HG   SER  39           HG       SER  39  -8.914  27.838 -13.369
  289    HA   PRO  40           HA       PRO  40  -8.462  21.986  -9.972
  290   1HB   PRO  40          1HB       PRO  40 -10.067  22.223  -7.711
  291   2HB   PRO  40          2HB       PRO  40  -8.321  22.079  -7.687
  292   1HG   PRO  40          1HG       PRO  40  -9.980  24.446  -7.183
  293   2HG   PRO  40          2HG       PRO  40  -8.296  24.177  -6.781
  294   1HD   PRO  40          1HD       PRO  40  -9.304  25.751  -8.906
  295   2HD   PRO  40          2HD       PRO  40  -7.628  25.339  -8.607
  296    H    ARG  41           H        ARG  41  -9.642  22.026 -11.967
  297    HA   ARG  41           HA       ARG  41 -12.196  22.991 -12.391
  298   1HB   ARG  41          1HB       ARG  41 -10.428  21.305 -13.752
  299   2HB   ARG  41          2HB       ARG  41 -11.922  20.400 -13.617
  300   1HG   ARG  41          1HG       ARG  41 -12.667  21.579 -15.371
  301   2HG   ARG  41          2HG       ARG  41 -12.734  22.967 -14.305
  302   1HD   ARG  41          1HD       ARG  41 -10.237  23.261 -14.866
  303   2HD   ARG  41          2HD       ARG  41 -10.552  22.174 -16.204
  304    HE   ARG  41           HE       ARG  41 -12.514  24.200 -16.245
  305   1HH1  ARG  41          1HH2      ARG  41  -9.066  23.865 -16.763
  306   2HH1  ARG  41          2HH2      ARG  41  -8.994  25.218 -17.869
  307   1HH2  ARG  41          1HH1      ARG  41 -12.389  25.933 -17.666
  308   2HH2  ARG  41          2HH1      ARG  41 -10.851  26.373 -18.373
  309    H    MET  42           H        MET  42 -11.559  19.559 -11.746
  310    HA   MET  42           HA       MET  42 -13.845  19.479  -9.900
  311   1HB   MET  42          1HB       MET  42 -13.624  17.501 -12.142
  312   2HB   MET  42          2HB       MET  42 -14.964  17.741 -11.039
  313   1HG   MET  42          1HG       MET  42 -15.159  20.076 -12.058
  314   2HG   MET  42          2HG       MET  42 -14.101  19.484 -13.323
  315   1HE   MET  42          1HE       MET  42 -17.540  19.308 -11.578
  316   2HE   MET  42          2HE       MET  42 -17.390  20.512 -12.905
  317   3HE   MET  42          3HE       MET  42 -18.527  19.129 -13.069
  318    H    ARG  43           H        ARG  43 -13.642  18.032  -8.297
  319    HA   ARG  43           HA       ARG  43 -11.720  15.851  -8.494
  320   1HB   ARG  43          1HB       ARG  43 -11.023  18.354  -7.226
  321   2HB   ARG  43          2HB       ARG  43 -10.950  17.019  -6.093
  322   1HG   ARG  43          1HG       ARG  43  -9.073  16.235  -7.028
  323   2HG   ARG  43          2HG       ARG  43  -9.781  16.286  -8.629
  324   1HD   ARG  43          1HD       ARG  43  -8.213  17.879  -9.002
  325   2HD   ARG  43          2HD       ARG  43  -9.361  18.926  -8.192
  326    HE   ARG  43           HE       ARG  43  -7.909  19.117  -6.410
  327   1HH1  ARG  43          1HH2      ARG  43  -6.932  16.387  -8.389
  328   2HH1  ARG  43          2HH2      ARG  43  -5.479  16.097  -7.459
  329   1HH2  ARG  43          1HH1      ARG  43  -6.048  18.690  -5.221
  330   2HH2  ARG  43          2HH1      ARG  43  -4.988  17.381  -5.693
  331    H    GLU  44           H        GLU  44 -13.690  14.684  -8.266
  332    HA   GLU  44           HA       GLU  44 -14.505  14.551  -5.423
  333   1HB   GLU  44          1HB       GLU  44 -16.141  15.684  -7.172
  334   2HB   GLU  44          2HB       GLU  44 -16.576  14.011  -7.456
  335   1HG   GLU  44          1HG       GLU  44 -16.441  14.256  -4.678
  336   2HG   GLU  44          2HG       GLU  44 -17.242  15.717  -5.220
  337    H    GLU  45           H        GLU  45 -12.976  12.838  -5.274
  338    HA   GLU  45           HA       GLU  45 -14.097  10.332  -6.382
  339   1HB   GLU  45          1HB       GLU  45 -11.882   9.463  -6.711
  340   2HB   GLU  45          2HB       GLU  45 -12.024  10.994  -7.550
  341   1HG   GLU  45          1HG       GLU  45 -10.988  11.059  -4.767
  342   2HG   GLU  45          2HG       GLU  45  -9.927  10.420  -6.006
  343    H    ASP  46           H        ASP  46 -13.610   8.385  -5.142
  344    HA   ASP  46           HA       ASP  46 -12.719   8.702  -2.394
  345   1HB   ASP  46          1HB       ASP  46 -15.288   9.385  -2.664
  346   2HB   ASP  46          2HB       ASP  46 -15.478   7.647  -2.553
  347    H    HIS  47           H        HIS  47 -11.250   7.078  -2.862
  348    HA   HIS  47           HA       HIS  47 -12.270   4.556  -3.927
  349   1HB   HIS  47          1HB       HIS  47  -9.519   4.920  -2.884
  350   2HB   HIS  47          2HB       HIS  47 -10.080   3.946  -4.228
  351    HD1  HIS  47           1HD      HIS  47 -11.097   5.605  -6.347
  352    HD2  HIS  47           2HD      HIS  47  -8.256   7.123  -3.619
  353    HE1  HIS  47           1HE      HIS  47 -10.040   7.677  -7.457
  354    HE2  HIS  47           2HE      HIS  47  -8.282   8.564  -5.805
  355    H    LYS  48           H        LYS  48 -11.771   2.517  -2.843
  356    HA   LYS  48           HA       LYS  48 -11.137   2.213  -0.158
  357   1HB   LYS  48          1HB       LYS  48 -13.584   3.515  -0.326
  358   2HB   LYS  48          2HB       LYS  48 -14.001   1.844  -0.002
  359   1HG   LYS  48          1HG       LYS  48 -11.899   2.262   1.717
  360   2HG   LYS  48          2HG       LYS  48 -12.709   3.815   1.740
  361   1HD   LYS  48          1HD       LYS  48 -14.559   1.565   1.892
  362   2HD   LYS  48          2HD       LYS  48 -13.431   1.615   3.233
  363   1HE   LYS  48          1HE       LYS  48 -14.604   3.271   4.174
  364   2HE   LYS  48          2HE       LYS  48 -14.362   4.265   2.751
  365   1HZ   LYS  48          1HZ       LYS  48 -16.269   3.225   1.760
  366   2HZ   LYS  48          2HZ       LYS  48 -16.497   2.287   3.104
  367   3HZ   LYS  48          3HZ       LYS  48 -16.680   3.929   3.201
  368    H    GLN  49           H        GLN  49 -13.176   1.207  -2.815
  369    HA   GLN  49           HA       GLN  49 -12.622  -1.613  -2.099
  370   1HB   GLN  49          1HB       GLN  49 -14.991  -0.281  -3.013
  371   2HB   GLN  49          2HB       GLN  49 -14.518  -1.521  -4.156
  372   1HG   GLN  49          1HG       GLN  49 -14.185  -2.935  -1.947
  373   2HG   GLN  49          2HG       GLN  49 -15.344  -1.785  -1.311
  374   1HE2  GLN  49          2HE2      GLN  49 -15.962  -4.443  -1.376
  375   2HE2  GLN  49          1HE2      GLN  49 -17.185  -4.747  -2.589
  376    H    LEU  50           H        LEU  50 -11.836   0.908  -4.265
  377    HA   LEU  50           HA       LEU  50 -11.229  -0.656  -6.567
  378   1HB   LEU  50          1HB       LEU  50 -10.655   2.069  -5.571
  379   2HB   LEU  50          2HB       LEU  50  -9.622   1.445  -6.842
  380    HG   LEU  50           HG       LEU  50 -12.550   1.194  -7.216
  381   1HD1  LEU  50          1HD1      LEU  50 -12.347   3.474  -6.335
  382   2HD1  LEU  50          2HD1      LEU  50 -11.051   3.817  -7.533
  383   3HD1  LEU  50          3HD1      LEU  50 -12.730   3.501  -8.091
  384   1HD2  LEU  50          1HD2      LEU  50 -10.260   1.907  -9.079
  385   2HD2  LEU  50          2HD2      LEU  50 -11.006   0.281  -8.894
  386   3HD2  LEU  50          3HD2      LEU  50 -11.968   1.640  -9.574
  387    H    CYS  51           H        CYS  51  -9.698  -0.282  -3.486
  388    HA   CYS  51           HA       CYS  51  -7.132  -1.283  -4.437
  389   1HB   CYS  51          1HB       CYS  51  -6.419  -1.060  -2.214
  390   2HB   CYS  51          2HB       CYS  51  -7.348   0.364  -2.635
  391    H    CYS  52           H        CYS  52  -9.811  -2.417  -2.343
  392    HA   CYS  52           HA       CYS  52  -8.804  -5.045  -2.034
  393   1HB   CYS  52          1HB       CYS  52 -10.688  -3.757  -0.791
  394   2HB   CYS  52          2HB       CYS  52 -11.715  -4.493  -2.004
  395    H    MET  53           H        MET  53  -9.995  -3.469  -4.760
  396    HA   MET  53           HA       MET  53 -11.263  -5.642  -6.099
  397   1HB   MET  53          1HB       MET  53 -11.236  -3.017  -6.505
  398   2HB   MET  53          2HB       MET  53  -9.942  -3.458  -7.601
  399   1HG   MET  53          1HG       MET  53 -11.799  -5.325  -8.225
  400   2HG   MET  53          2HG       MET  53 -12.823  -3.970  -7.793
  401   1HE   MET  53          1HE       MET  53  -9.267  -4.328  -9.451
  402   2HE   MET  53          2HE       MET  53 -10.334  -5.540 -10.241
  403   3HE   MET  53          3HE       MET  53  -9.704  -4.145 -11.185
  404    H    GLN  54           H        GLN  54  -8.224  -3.966  -6.951
  405    HA   GLN  54           HA       GLN  54  -7.276  -6.184  -8.482
  406   1HB   GLN  54          1HB       GLN  54  -6.243  -3.555  -7.645
  407   2HB   GLN  54          2HB       GLN  54  -5.034  -4.778  -7.979
  408   1HG   GLN  54          1HG       GLN  54  -5.328  -4.537 -10.173
  409   2HG   GLN  54          2HG       GLN  54  -7.044  -4.849 -10.012
  410   1HE2  GLN  54          2HE2      GLN  54  -6.287  -3.189 -11.977
  411   2HE2  GLN  54          1HE2      GLN  54  -6.754  -1.548 -11.587
  412    H    LEU  55           H        LEU  55  -7.075  -5.314  -5.100
  413    HA   LEU  55           HA       LEU  55  -4.817  -6.825  -4.381
  414   1HB   LEU  55          1HB       LEU  55  -7.191  -5.723  -3.103
  415   2HB   LEU  55          2HB       LEU  55  -6.429  -7.056  -2.259
  416    HG   LEU  55           HG       LEU  55  -4.733  -4.841  -3.143
  417   1HD1  LEU  55          1HD1      LEU  55  -6.576  -3.569  -2.257
  418   2HD1  LEU  55          2HD1      LEU  55  -6.554  -4.559  -0.756
  419   3HD1  LEU  55          3HD1      LEU  55  -5.164  -3.488  -1.146
  420   1HD2  LEU  55          1HD2      LEU  55  -4.747  -6.541  -0.651
  421   2HD2  LEU  55          2HD2      LEU  55  -3.677  -6.727  -2.084
  422   3HD2  LEU  55          3HD2      LEU  55  -3.538  -5.269  -1.041
  423    H    LYS  56           H        LYS  56  -8.140  -7.792  -5.086
  424    HA   LYS  56           HA       LYS  56  -7.620 -10.554  -4.363
  425   1HB   LYS  56          1HB       LYS  56  -9.820  -9.392  -4.130
  426   2HB   LYS  56          2HB       LYS  56  -9.959  -9.453  -5.875
  427   1HG   LYS  56          1HG       LYS  56 -10.525 -11.633  -5.849
  428   2HG   LYS  56          2HG       LYS  56  -9.222 -12.031  -4.745
  429   1HD   LYS  56          1HD       LYS  56 -10.533 -11.648  -2.857
  430   2HD   LYS  56          2HD       LYS  56 -11.664 -10.633  -3.728
  431   1HE   LYS  56          1HE       LYS  56 -11.757 -13.144  -4.991
  432   2HE   LYS  56          2HE       LYS  56 -11.770 -13.473  -3.270
  433   1HZ   LYS  56          1HZ       LYS  56 -13.592 -11.945  -3.040
  434   2HZ   LYS  56          2HZ       LYS  56 -13.580 -11.634  -4.666
  435   3HZ   LYS  56          3HZ       LYS  56 -13.979 -13.143  -4.114
  436    H    ASN  57           H        ASN  57  -6.500  -8.786  -6.812
  437    HA   ASN  57           HA       ASN  57  -6.515 -10.979  -8.780
  438   1HB   ASN  57          1HB       ASN  57  -6.646  -8.103  -8.953
  439   2HB   ASN  57          2HB       ASN  57  -5.292  -8.725  -9.875
  440   1HD2  ASN  57          2HD2      ASN  57  -8.002  -7.529 -10.563
  441   2HD2  ASN  57          1HD2      ASN  57  -8.680  -8.666 -11.706
  442    H    LEU  58           H        LEU  58  -4.578  -9.343  -6.456
  443    HA   LEU  58           HA       LEU  58  -2.053  -9.933  -7.694
  444   1HB   LEU  58          1HB       LEU  58  -3.021  -8.623  -5.279
  445   2HB   LEU  58          2HB       LEU  58  -1.510  -9.483  -5.062
  446    HG   LEU  58           HG       LEU  58  -2.087  -7.263  -7.000
  447   1HD1  LEU  58          1HD1      LEU  58  -1.623  -6.571  -4.694
  448   2HD1  LEU  58          2HD1      LEU  58  -0.118  -7.555  -4.708
  449   3HD1  LEU  58          3HD1      LEU  58  -0.265  -6.121  -5.782
  450   1HD2  LEU  58          1HD2      LEU  58   0.445  -8.927  -6.764
  451   2HD2  LEU  58          2HD2      LEU  58  -0.701  -8.949  -8.150
  452   3HD2  LEU  58          3HD2      LEU  58   0.241  -7.461  -7.786
  453    H    ASP  59           H        ASP  59  -0.382 -11.167  -6.300
  454    HA   ASP  59           HA       ASP  59  -1.288 -13.898  -6.242
  455   1HB   ASP  59          1HB       ASP  59   1.143 -12.607  -6.477
  456   2HB   ASP  59          2HB       ASP  59   1.225 -13.356  -4.894
  457    H    GLU  60           H        GLU  60  -1.916 -15.124  -4.515
  458    HA   GLU  60           HA       GLU  60  -2.669 -13.870  -2.086
  459   1HB   GLU  60          1HB       GLU  60  -3.049 -16.358  -3.301
  460   2HB   GLU  60          2HB       GLU  60  -2.274 -16.695  -1.766
  461   1HG   GLU  60          1HG       GLU  60  -4.161 -14.785  -1.128
  462   2HG   GLU  60          2HG       GLU  60  -4.977 -15.782  -2.315
  463    H    LYS  61           H        LYS  61   0.359 -15.016  -3.176
  464    HA   LYS  61           HA       LYS  61   1.454 -15.079  -0.448
  465   1HB   LYS  61          1HB       LYS  61   3.322 -16.177  -1.383
  466   2HB   LYS  61          2HB       LYS  61   1.897 -16.900  -2.099
  467   1HG   LYS  61          1HG       LYS  61   2.221 -15.345  -4.062
  468   2HG   LYS  61          2HG       LYS  61   3.768 -14.907  -3.366
  469   1HD   LYS  61          1HD       LYS  61   4.730 -16.775  -4.149
  470   2HD   LYS  61          2HD       LYS  61   3.461 -17.778  -3.475
  471   1HE   LYS  61          1HE       LYS  61   2.036 -17.238  -5.432
  472   2HE   LYS  61          2HE       LYS  61   3.358 -16.314  -6.114
  473   1HZ   LYS  61          1HZ       LYS  61   4.673 -18.303  -6.137
  474   2HZ   LYS  61          2HZ       LYS  61   3.423 -19.176  -5.493
  475   3HZ   LYS  61          3HZ       LYS  61   3.280 -18.521  -7.006
  476    H    CYS  62           H        CYS  62   1.041 -12.937  -3.031
  477    HA   CYS  62           HA       CYS  62   3.286 -11.238  -2.268
  478   1HB   CYS  62          1HB       CYS  62   1.187 -11.087  -4.385
  479   2HB   CYS  62          2HB       CYS  62   2.279  -9.759  -4.048
  480    H    MET  63           H        MET  63   0.183 -11.827  -1.151
  481    HA   MET  63           HA       MET  63  -0.503  -9.090  -0.512
  482   1HB   MET  63          1HB       MET  63  -1.687 -11.668   0.443
  483   2HB   MET  63          2HB       MET  63  -2.418 -10.078   0.535
  484   1HG   MET  63          1HG       MET  63  -1.962 -10.219  -2.089
  485   2HG   MET  63          2HG       MET  63  -2.179 -11.920  -1.731
  486   1HE   MET  63          1HE       MET  63  -4.305 -13.072  -1.796
  487   2HE   MET  63          2HE       MET  63  -4.274 -12.665  -0.045
  488   3HE   MET  63          3HE       MET  63  -5.782 -12.434  -0.994
  489    H    CYS  64           H        CYS  64   1.924  -9.257   0.510
  490    HA   CYS  64           HA       CYS  64   1.619  -8.940   3.312
  491   1HB   CYS  64          1HB       CYS  64   3.551 -11.013   3.220
  492   2HB   CYS  64          2HB       CYS  64   2.097 -10.905   4.192
  493    HA   PRO  65           HA       PRO  65   6.103  -8.315   1.952
  494   1HB   PRO  65          1HB       PRO  65   6.934  -9.311  -0.487
  495   2HB   PRO  65          2HB       PRO  65   7.149 -10.135   1.044
  496   1HG   PRO  65          1HG       PRO  65   5.287 -10.756  -1.137
  497   2HG   PRO  65          2HG       PRO  65   5.805 -11.774   0.193
  498   1HD   PRO  65          1HD       PRO  65   3.357 -10.368  -0.050
  499   2HD   PRO  65          2HD       PRO  65   3.916 -11.305   1.321
  500    H    ALA  66           H        ALA  66   3.791  -8.351  -0.740
  501    HA   ALA  66           HA       ALA  66   4.901  -6.135  -2.127
  502   1HB   ALA  66          1HB       ALA  66   3.368  -7.734  -3.180
  503   2HB   ALA  66          2HB       ALA  66   2.068  -7.208  -2.054
  504   3HB   ALA  66          3HB       ALA  66   2.725  -6.057  -3.270
  505    H    ILE  67           H        ILE  67   2.219  -6.408   0.256
  506    HA   ILE  67           HA       ILE  67   1.315  -3.855   0.412
  507    HB   ILE  67           HB       ILE  67   2.035  -5.629   2.712
  508   1HG1  ILE  67          1HG1      ILE  67   0.229  -6.023   0.634
  509   2HG1  ILE  67          2HG1      ILE  67   0.347  -6.935   2.125
  510   1HG2  ILE  67          1HG2      ILE  67   1.716  -3.339   3.483
  511   2HG2  ILE  67          2HG2      ILE  67   0.152  -3.253   2.602
  512   3HG2  ILE  67          3HG2      ILE  67   0.336  -4.369   4.000
  513   1HD1  ILE  67          1HD1      ILE  67  -1.224  -5.400   3.214
  514   2HD1  ILE  67          2HD1      ILE  67  -1.343  -4.464   1.684
  515   3HD1  ILE  67          3HD1      ILE  67  -1.942  -6.158   1.750
  516    H    MET  68           H        MET  68   4.342  -5.013   1.870
  517    HA   MET  68           HA       MET  68   5.207  -2.641   3.053
  518   1HB   MET  68          1HB       MET  68   6.801  -4.757   1.654
  519   2HB   MET  68          2HB       MET  68   7.481  -3.507   2.677
  520   1HG   MET  68          1HG       MET  68   6.675  -4.450   4.598
  521   2HG   MET  68          2HG       MET  68   5.293  -5.164   3.793
  522   1HE   MET  68          1HE       MET  68   6.460  -6.952   5.841
  523   2HE   MET  68          2HE       MET  68   5.277  -7.521   4.612
  524   3HE   MET  68          3HE       MET  68   6.760  -8.482   4.944
  525    H    MET  69           H        MET  69   6.264  -3.797  -0.191
  526    HA   MET  69           HA       MET  69   7.359  -1.384  -1.029
  527   1HB   MET  69          1HB       MET  69   6.141  -3.696  -2.467
  528   2HB   MET  69          2HB       MET  69   6.848  -2.342  -3.326
  529   1HG   MET  69          1HG       MET  69   8.269  -4.045  -1.296
  530   2HG   MET  69          2HG       MET  69   8.445  -4.181  -3.034
  531   1HE   MET  69          1HE       MET  69  11.094  -3.977  -2.610
  532   2HE   MET  69          2HE       MET  69  10.434  -3.292  -4.135
  533   3HE   MET  69          3HE       MET  69  11.681  -2.388  -3.210
  534    H    MET  70           H        MET  70   4.008  -2.294  -0.868
  535    HA   MET  70           HA       MET  70   2.976  -0.493  -2.766
  536   1HB   MET  70          1HB       MET  70   1.219  -1.720  -2.176
  537   2HB   MET  70          2HB       MET  70   1.997  -2.225  -0.689
  538   1HG   MET  70          1HG       MET  70   1.287   0.252  -0.005
  539   2HG   MET  70          2HG       MET  70   0.025  -0.108  -1.166
  540   1HE   MET  70          1HE       MET  70  -0.262   0.567   1.960
  541   2HE   MET  70          2HE       MET  70  -1.643   0.357   0.828
  542   3HE   MET  70          3HE       MET  70  -1.596  -0.566   2.370
  543    H    LEU  71           H        LEU  71   3.979  -0.146   0.581
  544    HA   LEU  71           HA       LEU  71   3.089   2.656   0.557
  545   1HB   LEU  71          1HB       LEU  71   4.051   0.987   2.857
  546   2HB   LEU  71          2HB       LEU  71   3.396   2.609   2.951
  547    HG   LEU  71           HG       LEU  71   1.874   0.222   1.983
  548   1HD1  LEU  71          1HD1      LEU  71   2.456  -0.072   4.332
  549   2HD1  LEU  71          2HD1      LEU  71   1.823   1.572   4.694
  550   3HD1  LEU  71          3HD1      LEU  71   0.702   0.276   4.151
  551   1HD2  LEU  71          1HD2      LEU  71   0.965   3.023   2.706
  552   2HD2  LEU  71          2HD2      LEU  71   1.055   2.329   1.051
  553   3HD2  LEU  71          3HD2      LEU  71  -0.113   1.660   2.243
  554    H    ASN  72           H        ASN  72   5.558   1.190  -0.694
  555    HA   ASN  72           HA       ASN  72   7.566   3.112   0.331
  556   1HB   ASN  72          1HB       ASN  72   8.045   0.441  -0.955
  557   2HB   ASN  72          2HB       ASN  72   9.263   1.524  -0.314
  558   1HD2  ASN  72          2HD2      ASN  72   9.652  -0.769   0.659
  559   2HD2  ASN  72          1HD2      ASN  72   9.016  -0.951   2.279
  560    H    GLU  73           H        GLU  73   5.502   2.375  -2.147
  561    HA   GLU  73           HA       GLU  73   7.029   2.666  -4.451
  562   1HB   GLU  73          1HB       GLU  73   4.277   2.540  -3.749
  563   2HB   GLU  73          2HB       GLU  73   4.500   3.867  -4.869
  564   1HG   GLU  73          1HG       GLU  73   6.014   1.981  -6.072
  565   2HG   GLU  73          2HG       GLU  73   4.815   0.961  -5.302
  566    HA   PRO  74           HA       PRO  74   7.867   6.935  -4.848
  567   1HB   PRO  74          1HB       PRO  74   6.927   7.670  -7.327
  568   2HB   PRO  74          2HB       PRO  74   8.422   6.804  -7.043
  569   1HG   PRO  74          1HG       PRO  74   5.887   5.808  -8.135
  570   2HG   PRO  74          2HG       PRO  74   7.489   5.110  -8.252
  571   1HD   PRO  74          1HD       PRO  74   5.399   4.327  -6.515
  572   2HD   PRO  74          2HD       PRO  74   7.035   3.704  -6.559
  573    H    MET  75           H        MET  75   5.461   6.385  -3.432
  574    HA   MET  75           HA       MET  75   4.267   8.990  -3.458
  575   1HB   MET  75          1HB       MET  75   3.104   6.996  -5.102
  576   2HB   MET  75          2HB       MET  75   2.050   7.208  -3.719
  577   1HG   MET  75          1HG       MET  75   3.140   9.563  -5.217
  578   2HG   MET  75          2HG       MET  75   1.687   8.743  -5.751
  579   1HE   MET  75          1HE       MET  75   3.347  11.145  -3.281
  580   2HE   MET  75          2HE       MET  75   2.374  11.861  -4.613
  581   3HE   MET  75          3HE       MET  75   1.873  12.104  -2.903
  582    H    TRP  76           H        TRP  76   5.679   6.983  -1.679
  583    HA   TRP  76           HA       TRP  76   3.879   7.323   0.580
  584   1HB   TRP  76          1HB       TRP  76   4.789   4.616  -0.286
  585   2HB   TRP  76          2HB       TRP  76   3.962   4.986   1.213
  586    HD1  TRP  76           HD       TRP  76   3.275   3.752  -2.149
  587    HE1  TRP  76           1HE      TRP  76   0.757   3.831  -2.676
  588    HE3  TRP  76           3HE      TRP  76   1.856   6.925   1.535
  589    HZ2  TRP  76           2HZ      TRP  76  -1.544   5.253  -1.724
  590    HZ3  TRP  76           3HZ      TRP  76  -0.504   7.643   1.708
  591    HH2  TRP  76           HH       TRP  76  -2.180   6.873   0.063
  592    H    ILE  77           H        ILE  77   5.407   8.723   1.399
  593    HA   ILE  77           HA       ILE  77   8.071   7.530   1.900
  594    HB   ILE  77           HB       ILE  77   7.603  10.458   1.737
  595   1HG1  ILE  77          1HG1      ILE  77   6.944   9.812  -0.404
  596   2HG1  ILE  77          2HG1      ILE  77   8.620  10.298  -0.563
  597   1HG2  ILE  77          1HG2      ILE  77   9.622   9.777   2.910
  598   2HG2  ILE  77          2HG2      ILE  77  10.101   8.752   1.512
  599   3HG2  ILE  77          3HG2      ILE  77  10.044  10.541   1.339
  600   1HD1  ILE  77          1HD1      ILE  77   9.337   7.931  -0.474
  601   2HD1  ILE  77          2HD1      ILE  77   7.618   7.433  -0.308
  602   3HD1  ILE  77          3HD1      ILE  77   8.185   8.217  -1.824
  603    H    ARG  78           H        ARG  78   8.010  10.397   3.514
  604    HA   ARG  78           HA       ARG  78   7.547   9.121   6.050
  605   1HB   ARG  78          1HB       ARG  78   8.209  11.895   5.163
  606   2HB   ARG  78          2HB       ARG  78   7.857  11.531   6.841
  607   1HG   ARG  78          1HG       ARG  78   9.941  10.770   7.132
  608   2HG   ARG  78          2HG       ARG  78   9.701   9.587   5.863
  609   1HD   ARG  78          1HD       ARG  78  10.766  10.853   4.295
  610   2HD   ARG  78          2HD       ARG  78  10.204  12.363   4.984
  611    HE   ARG  78           HE       ARG  78  12.038  11.181   6.782
  612   1HH1  ARG  78          1HH2      ARG  78  12.034  12.677   3.615
  613   2HH1  ARG  78          2HH2      ARG  78  13.680  13.248   3.767
  614   1HH2  ARG  78          1HH1      ARG  78  14.144  11.937   6.950
  615   2HH2  ARG  78          2HH1      ARG  78  14.857  12.834   5.629
  616    H    MET  79           H        MET  79   5.307   9.502   3.995
  617    HA   MET  79           HA       MET  79   3.382  10.958   5.700
  618   1HB   MET  79          1HB       MET  79   2.073  10.646   3.398
  619   2HB   MET  79          2HB       MET  79   3.121  12.016   3.707
  620   1HG   MET  79          1HG       MET  79   4.959  10.885   2.563
  621   2HG   MET  79          2HG       MET  79   3.938   9.489   2.282
  622   1HE   MET  79          1HE       MET  79   3.642   9.121  -0.047
  623   2HE   MET  79          2HE       MET  79   2.021   9.323   0.704
  624   3HE   MET  79          3HE       MET  79   2.364  10.050  -0.904
  625    H    ARG  80           H        ARG  80   4.101   7.957   3.959
  626    HA   ARG  80           HA       ARG  80   1.647   6.682   4.434
  627   1HB   ARG  80          1HB       ARG  80   2.985   4.565   4.341
  628   2HB   ARG  80          2HB       ARG  80   3.149   5.617   2.950
  629   1HG   ARG  80          1HG       ARG  80   5.323   5.901   3.305
  630   2HG   ARG  80          2HG       ARG  80   5.068   6.259   5.001
  631   1HD   ARG  80          1HD       ARG  80   4.953   3.833   5.442
  632   2HD   ARG  80          2HD       ARG  80   5.358   3.547   3.762
  633    HE   ARG  80           HE       ARG  80   7.154   4.390   5.886
  634   1HH1  ARG  80          1HH2      ARG  80   6.711   4.322   2.418
  635   2HH1  ARG  80          2HH2      ARG  80   8.424   4.496   2.108
  636   1HH2  ARG  80          1HH1      ARG  80   9.370   4.623   5.371
  637   2HH2  ARG  80          2HH1      ARG  80   9.858   4.658   3.691
  638    H    ASP  81           H        ASP  81   4.227   7.421   6.671
  639    HA   ASP  81           HA       ASP  81   4.109   5.568   8.649
  640   1HB   ASP  81          1HB       ASP  81   4.831   8.220   8.449
  641   2HB   ASP  81          2HB       ASP  81   3.593   8.240   9.689
  642    H    GLN  82           H        GLN  82   1.551   7.919   7.870
  643    HA   GLN  82           HA       GLN  82  -0.187   6.893   9.947
  644   1HB   GLN  82          1HB       GLN  82  -0.048   9.240   8.914
  645   2HB   GLN  82          2HB       GLN  82  -1.073   8.558   7.668
  646   1HG   GLN  82          1HG       GLN  82  -2.733   9.209   9.053
  647   2HG   GLN  82          2HG       GLN  82  -2.365   7.703   9.869
  648   1HE2  GLN  82          2HE2      GLN  82  -1.528  11.162   9.789
  649   2HE2  GLN  82          1HE2      GLN  82  -1.163  11.298  11.495
  650    H    VAL  83           H        VAL  83  -0.231   6.787   6.379
  651    HA   VAL  83           HA       VAL  83  -2.440   5.062   6.164
  652    HB   VAL  83           HB       VAL  83  -1.986   4.891   3.939
  653   1HG1  VAL  83          1HG1      VAL  83  -2.315   7.206   4.563
  654   2HG1  VAL  83          2HG1      VAL  83  -0.545   7.388   4.825
  655   3HG1  VAL  83          3HG1      VAL  83  -1.182   7.075   3.173
  656   1HG2  VAL  83          1HG2      VAL  83   0.942   5.351   4.487
  657   2HG2  VAL  83          2HG2      VAL  83   0.171   3.786   4.050
  658   3HG2  VAL  83          3HG2      VAL  83   0.189   5.140   2.867
  659    H    MET  84           H        MET  84   0.529   4.383   7.528
  660    HA   MET  84           HA       MET  84   0.968   1.708   6.634
  661   1HB   MET  84          1HB       MET  84   2.243   3.666   8.301
  662   2HB   MET  84          2HB       MET  84   2.131   2.145   9.166
  663   1HG   MET  84          1HG       MET  84   2.954   1.183   6.847
  664   2HG   MET  84          2HG       MET  84   3.601   2.801   6.676
  665   1HE   MET  84          1HE       MET  84   5.891   3.340   7.274
  666   2HE   MET  84          2HE       MET  84   5.018   3.972   8.713
  667   3HE   MET  84          3HE       MET  84   6.545   3.047   8.923
  668    H    SER  85           H        SER  85  -0.065   3.148   9.752
  669    HA   SER  85           HA       SER  85  -0.987   0.664  10.814
  670   1HB   SER  85          1HB       SER  85  -0.401   2.800  12.085
  671   2HB   SER  85          2HB       SER  85  -1.999   3.363  11.637
  672    HG   SER  85           HG       SER  85  -1.980   2.324  13.689
  673    H    MET  86           H        MET  86  -2.247   2.586   8.349
  674    HA   MET  86           HA       MET  86  -5.025   1.797   8.844
  675   1HB   MET  86          1HB       MET  86  -3.610   3.627   6.965
  676   2HB   MET  86          2HB       MET  86  -5.279   3.163   6.701
  677   1HG   MET  86          1HG       MET  86  -4.204   4.506   9.170
  678   2HG   MET  86          2HG       MET  86  -5.130   5.285   7.903
  679   1HE   MET  86          1HE       MET  86  -6.534   6.051  10.208
  680   2HE   MET  86          2HE       MET  86  -7.362   6.008   8.612
  681   3HE   MET  86          3HE       MET  86  -8.185   5.353  10.070
  682    H    ALA  87           H        ALA  87  -2.383   1.299   6.555
  683    HA   ALA  87           HA       ALA  87  -3.954  -0.618   5.032
  684   1HB   ALA  87          1HB       ALA  87  -2.582   0.984   3.835
  685   2HB   ALA  87          2HB       ALA  87  -1.129   0.401   4.719
  686   3HB   ALA  87          3HB       ALA  87  -1.982  -0.691   3.572
  687    H    HIS  88           H        HIS  88  -3.213  -1.069   7.890
  688    HA   HIS  88           HA       HIS  88  -1.546  -3.479   7.540
  689   1HB   HIS  88          1HB       HIS  88  -0.762  -3.197   9.627
  690   2HB   HIS  88          2HB       HIS  88  -1.118  -1.527   9.233
  691    HD1  HIS  88           1HD      HIS  88  -1.293  -3.516  12.080
  692    HD2  HIS  88           2HD      HIS  88  -4.168  -1.258   9.985
  693    HE1  HIS  88           1HE      HIS  88  -3.144  -2.927  13.772
  694    HE2  HIS  88           2HE      HIS  88  -4.827  -1.436  12.512
  695    H    ASN  89           H        ASN  89  -4.656  -2.254   8.526
  696    HA   ASN  89           HA       ASN  89  -5.605  -5.002   9.040
  697   1HB   ASN  89          1HB       ASN  89  -6.413  -2.316  10.027
  698   2HB   ASN  89          2HB       ASN  89  -7.666  -3.520   9.811
  699   1HD2  ASN  89          2HD2      ASN  89  -4.332  -4.278  10.596
  700   2HD2  ASN  89          1HD2      ASN  89  -4.624  -4.818  12.234
  701    H    LEU  90           H        LEU  90  -5.851  -2.209   6.925
  702    HA   LEU  90           HA       LEU  90  -8.273  -2.859   5.657
  703   1HB   LEU  90          1HB       LEU  90  -5.819  -1.362   4.958
  704   2HB   LEU  90          2HB       LEU  90  -6.940  -1.752   3.669
  705    HG   LEU  90           HG       LEU  90  -7.746  -0.344   6.190
  706   1HD1  LEU  90          1HD1      LEU  90  -6.090   1.016   4.985
  707   2HD1  LEU  90          2HD1      LEU  90  -7.045   0.822   3.474
  708   3HD1  LEU  90          3HD1      LEU  90  -7.732   1.738   4.860
  709   1HD2  LEU  90          1HD2      LEU  90  -9.103  -0.648   3.490
  710   2HD2  LEU  90          2HD2      LEU  90  -9.571  -1.495   5.006
  711   3HD2  LEU  90          3HD2      LEU  90  -9.740   0.291   4.885
  712    HA   PRO  91           HA       PRO  91  -5.856  -5.671   2.751
  713   1HB   PRO  91          1HB       PRO  91  -3.337  -6.459   3.444
  714   2HB   PRO  91          2HB       PRO  91  -3.702  -5.150   2.339
  715   1HG   PRO  91          1HG       PRO  91  -2.707  -5.023   5.087
  716   2HG   PRO  91          2HG       PRO  91  -2.676  -3.790   3.842
  717   1HD   PRO  91          1HD       PRO  91  -4.464  -3.998   6.027
  718   2HD   PRO  91          2HD       PRO  91  -4.479  -2.809   4.740
  719    H    ILE  92           H        ILE  92  -5.770  -5.940   6.186
  720    HA   ILE  92           HA       ILE  92  -5.724  -8.862   6.061
  721    HB   ILE  92           HB       ILE  92  -5.602  -6.770   8.134
  722   1HG1  ILE  92          1HG1      ILE  92  -3.916  -8.896   7.083
  723   2HG1  ILE  92          2HG1      ILE  92  -3.486  -7.340   7.763
  724   1HG2  ILE  92          1HG2      ILE  92  -7.407  -8.162   8.969
  725   2HG2  ILE  92          2HG2      ILE  92  -6.399  -9.630   8.723
  726   3HG2  ILE  92          3HG2      ILE  92  -5.920  -8.407   9.951
  727   1HD1  ILE  92          1HD1      ILE  92  -3.802  -8.223  10.041
  728   2HD1  ILE  92          2HD1      ILE  92  -4.243  -9.820   9.342
  729   3HD1  ILE  92          3HD1      ILE  92  -2.580  -9.172   9.125
  730    H    GLU  93           H        GLU  93  -7.954  -6.232   6.855
  731    HA   GLU  93           HA       GLU  93 -10.166  -7.830   7.581
  732   1HB   GLU  93          1HB       GLU  93  -9.761  -4.994   6.799
  733   2HB   GLU  93          2HB       GLU  93 -11.392  -5.631   6.728
  734   1HG   GLU  93          1HG       GLU  93 -10.189  -6.460   9.185
  735   2HG   GLU  93          2HG       GLU  93  -9.979  -4.729   9.010
  736    H    CYS  94           H        CYS  94  -8.837  -6.834   4.501
  737    HA   CYS  94           HA       CYS  94 -11.153  -7.807   3.046
  738   1HB   CYS  94          1HB       CYS  94  -8.597  -6.518   2.406
  739   2HB   CYS  94          2HB       CYS  94  -9.280  -7.562   1.175
  740    H    ASN  95           H        ASN  95  -8.464  -9.213   4.532
  741    HA   ASN  95           HA       ASN  95  -7.911 -11.427   4.740
  742   1HB   ASN  95          1HB       ASN  95 -10.306 -11.789   3.723
  743   2HB   ASN  95          2HB       ASN  95  -9.405 -12.200   2.278
  744   1HD2  ASN  95          2HD2      ASN  95  -7.308 -13.617   2.996
  745   2HD2  ASN  95          1HD2      ASN  95  -7.759 -15.018   3.941
  746    H    LEU  96           H        LEU  96  -6.662  -9.298   3.100
  747    HA   LEU  96           HA       LEU  96  -5.485 -10.699   0.846
  748   1HB   LEU  96          1HB       LEU  96  -4.649  -8.014   1.819
  749   2HB   LEU  96          2HB       LEU  96  -4.575  -8.671   0.196
  750    HG   LEU  96           HG       LEU  96  -7.155  -8.117   1.589
  751   1HD1  LEU  96          1HD1      LEU  96  -5.927  -6.043   1.567
  752   2HD1  LEU  96          2HD1      LEU  96  -5.594  -6.250  -0.188
  753   3HD1  LEU  96          3HD1      LEU  96  -7.279  -5.989   0.384
  754   1HD2  LEU  96          1HD2      LEU  96  -6.465  -8.456  -1.336
  755   2HD2  LEU  96          2HD2      LEU  96  -7.320  -9.644  -0.291
  756   3HD2  LEU  96          3HD2      LEU  96  -8.094  -8.069  -0.683
  757    H    MET  97           H        MET  97  -4.196  -9.027   3.723
  758    HA   MET  97           HA       MET  97  -1.986 -10.962   3.742
  759   1HB   MET  97          1HB       MET  97  -0.563  -9.320   4.543
  760   2HB   MET  97          2HB       MET  97  -1.517  -8.507   3.319
  761   1HG   MET  97          1HG       MET  97  -2.896  -7.489   4.982
  762   2HG   MET  97          2HG       MET  97  -2.131  -8.425   6.250
  763   1HE   MET  97          1HE       MET  97  -0.657  -7.333   7.827
  764   2HE   MET  97          2HE       MET  97   0.502  -8.241   6.794
  765   3HE   MET  97          3HE       MET  97   0.869  -6.552   7.289
  766    H    SER  98           H        SER  98  -4.751 -11.052   5.038
  767    HA   SER  98           HA       SER  98  -4.951 -10.593   7.652
  768   1HB   SER  98          1HB       SER  98  -6.040 -12.492   5.914
  769   2HB   SER  98          2HB       SER  98  -5.576 -13.353   7.369
  770    HG   SER  98           HG       SER  98  -7.686 -12.476   7.503
  771    H    GLN  99           H        GLN  99  -3.807 -13.859   6.928
  772    HA   GLN  99           HA       GLN  99  -1.348 -13.353   8.429
  773   1HB   GLN  99          1HB       GLN  99  -3.635 -14.433   9.594
  774   2HB   GLN  99          2HB       GLN  99  -2.551 -15.788   9.354
  775   1HG   GLN  99          1HG       GLN  99  -0.873 -14.834  10.661
  776   2HG   GLN  99          2HG       GLN  99  -1.556 -13.225  10.523
  777   1HE2  GLN  99          2HE2      GLN  99  -0.904 -13.896  12.978
  778   2HE2  GLN  99          1HE2      GLN  99  -2.303 -14.325  13.938
  779    HA   PRO 100           HA       PRO 100  -1.210 -16.448   4.917
  780   1HB   PRO 100          1HB       PRO 100  -0.041 -14.902   2.947
  781   2HB   PRO 100          2HB       PRO 100  -1.759 -15.217   3.076
  782   1HG   PRO 100          1HG       PRO 100  -0.291 -12.760   3.661
  783   2HG   PRO 100          2HG       PRO 100  -2.010 -12.985   3.410
  784   1HD   PRO 100          1HD       PRO 100  -0.645 -12.655   5.872
  785   2HD   PRO 100          2HD       PRO 100  -2.356 -12.938   5.622
  786    H    CYS 101           H        CYS 101   1.337 -14.194   4.057
  787    HA   CYS 101           HA       CYS 101   3.383 -16.078   4.490
  788   1HB   CYS 101          1HB       CYS 101   3.802 -13.131   4.469
  789   2HB   CYS 101          2HB       CYS 101   4.868 -14.395   3.888
  790    H    GLN 102           H        GLN 102   5.389 -15.132   5.882
  791    HA   GLN 102           HA       GLN 102   4.308 -14.608   8.594
  792   1HB   GLN 102          1HB       GLN 102   6.556 -16.447   7.830
  793   2HB   GLN 102          2HB       GLN 102   6.106 -16.041   9.474
  794   1HG   GLN 102          1HG       GLN 102   3.862 -16.961   7.858
  795   2HG   GLN 102          2HG       GLN 102   5.129 -18.159   8.024
  796   1HE2  GLN 102          2HE2      GLN 102   2.948 -19.030   9.060
  797   2HE2  GLN 102          1HE2      GLN 102   2.897 -18.869  10.801
  798    H    MET 103           H        MET 103   6.335 -14.083  10.074
  799    HA   MET 103           HA       MET 103   7.916 -11.998   8.688
  800   1HB   MET 103          1HB       MET 103   7.773 -10.695  10.726
  801   2HB   MET 103          2HB       MET 103   6.173 -11.115  10.150
  802   1HG   MET 103          1HG       MET 103   5.792 -12.603  11.880
  803   2HG   MET 103          2HG       MET 103   7.498 -12.929  12.113
  804   1HE   MET 103          1HE       MET 103   5.072 -12.240  14.270
  805   2HE   MET 103          2HE       MET 103   6.705 -12.826  14.743
  806   3HE   MET 103          3HE       MET 103   6.034 -11.333  15.489
  Start of MODEL   13
    1    HA   PRO   1           HA       PRO   1  15.312  14.888   2.213
    2   1HB   PRO   1          1HB       PRO   1  15.660  12.201   2.575
    3   2HB   PRO   1          2HB       PRO   1  16.892  13.411   2.876
    4   1HG   PRO   1          1HG       PRO   1  15.312  11.866   4.822
    5   2HG   PRO   1          2HG       PRO   1  16.795  12.761   5.079
    6   1HD   PRO   1          1HD       PRO   1  14.131  13.571   5.709
    7   2HD   PRO   1          2HD       PRO   1  15.614  14.469   5.961
    8    H    TYR   2           H        TYR   2  14.260  14.304   0.435
    9    HA   TYR   2           HA       TYR   2  11.466  13.704   0.570
   10   1HB   TYR   2          1HB       TYR   2  13.540  13.874  -1.571
   11   2HB   TYR   2          2HB       TYR   2  11.919  13.326  -1.950
   12    HD1  TYR   2           1HD      TYR   2   9.951  14.844  -1.457
   13    HD2  TYR   2           2HD      TYR   2  14.053  16.182  -1.363
   14    HE1  TYR   2           1HE      TYR   2   9.185  17.208  -1.689
   15    HE2  TYR   2           2HE      TYR   2  13.282  18.553  -1.577
   16    HH   TYR   2           HH       TYR   2  11.507  19.902  -1.779
   17    H    GLY   3           H        GLY   3  14.354  11.783  -0.115
   18   1HA   GLY   3          1HA       GLY   3  14.333   9.422   0.517
   19   2HA   GLY   3          2HA       GLY   3  12.689   9.326  -0.082
   20    H    ARG   4           H        ARG   4  15.005   7.718  -0.794
   21    HA   ARG   4           HA       ARG   4  15.787   8.523  -3.463
   22   1HB   ARG   4          1HB       ARG   4  17.000   7.008  -1.683
   23   2HB   ARG   4          2HB       ARG   4  16.099   5.734  -2.481
   24   1HG   ARG   4          1HG       ARG   4  17.265   5.941  -4.429
   25   2HG   ARG   4          2HG       ARG   4  17.485   7.667  -4.235
   26   1HD   ARG   4          1HD       ARG   4  18.902   6.122  -2.213
   27   2HD   ARG   4          2HD       ARG   4  19.422   5.739  -3.842
   28    HE   ARG   4           HE       ARG   4  20.131   8.047  -2.388
   29   1HH1  ARG   4          1HH2      ARG   4  19.001   7.242  -5.620
   30   2HH1  ARG   4          2HH2      ARG   4  19.735   8.663  -6.330
   31   1HH2  ARG   4          1HH1      ARG   4  21.025   9.861  -3.368
   32   2HH2  ARG   4          2HH1      ARG   4  20.847  10.100  -5.091
   33    H    GLY   5           H        GLY   5  15.583   6.748  -5.232
   34   1HA   GLY   5          1HA       GLY   5  12.745   5.884  -5.364
   35   2HA   GLY   5          2HA       GLY   5  13.684   6.404  -6.749
   36    H    ARG   6           H        ARG   6  12.335   3.791  -5.576
   37    HA   ARG   6           HA       ARG   6  14.361   2.030  -6.799
   38   1HB   ARG   6          1HB       ARG   6  13.857   2.151  -3.968
   39   2HB   ARG   6          2HB       ARG   6  13.349   0.596  -4.596
   40   1HG   ARG   6          1HG       ARG   6  16.029   1.838  -5.190
   41   2HG   ARG   6          2HG       ARG   6  15.761   0.699  -3.885
   42   1HD   ARG   6          1HD       ARG   6  14.752  -0.807  -5.758
   43   2HD   ARG   6          2HD       ARG   6  15.657   0.234  -6.838
   44    HE   ARG   6           HE       ARG   6  17.491  -0.504  -4.920
   45   1HH1  ARG   6          1HH2      ARG   6  15.481  -2.240  -7.200
   46   2HH1  ARG   6          2HH2      ARG   6  16.598  -3.583  -7.307
   47   1HH2  ARG   6          1HH1      ARG   6  18.874  -2.242  -5.072
   48   2HH2  ARG   6          2HH1      ARG   6  18.484  -3.585  -6.124
   49    H    THR   7           H        THR   7  13.466   0.001  -7.492
   50    HA   THR   7           HA       THR   7  10.588  -0.358  -7.374
   51    HB   THR   7           HB       THR   7  10.447  -0.307  -9.954
   52    HG1  THR   7           1HG      THR   7  11.960   1.212 -10.812
   53   1HG2  THR   7          1HG2      THR   7   9.329   1.397  -8.476
   54   2HG2  THR   7          2HG2      THR   7  10.870   2.323  -8.456
   55   3HG2  THR   7          3HG2      THR   7   9.964   2.118  -9.995
   56    H    GLU   8           H        GLU   8  10.826  -2.371  -6.608
   57    HA   GLU   8           HA       GLU   8  12.701  -4.208  -7.834
   58   1HB   GLU   8          1HB       GLU   8  10.574  -4.644  -5.765
   59   2HB   GLU   8          2HB       GLU   8  11.729  -5.858  -6.276
   60   1HG   GLU   8          1HG       GLU   8  12.985  -3.334  -5.551
   61   2HG   GLU   8          2HG       GLU   8  12.097  -4.060  -4.227
   62    H    SER   9           H        SER   9  11.634  -6.583  -8.130
   63    HA   SER   9           HA       SER   9   9.566  -6.236 -10.214
   64   1HB   SER   9          1HB       SER   9  12.036  -7.707 -10.081
   65   2HB   SER   9          2HB       SER   9  10.693  -8.756 -10.489
   66    HG   SER   9           HG       SER   9  11.641  -7.788 -12.336
   67    H    GLY  10           H        GLY  10   8.718  -8.803 -10.531
   68   1HA   GLY  10          1HA       GLY  10   7.197 -10.318  -9.735
   69   2HA   GLY  10          2HA       GLY  10   8.076 -10.265  -8.221
   70    H    CYS  11           H        CYS  11   6.559 -10.001  -6.630
   71    HA   CYS  11           HA       CYS  11   4.024  -8.985  -6.851
   72   1HB   CYS  11          1HB       CYS  11   5.727  -8.430  -4.494
   73   2HB   CYS  11          2HB       CYS  11   4.008  -8.765  -4.551
   74    H    TYR  12           H        TYR  12   6.861  -7.101  -5.782
   75    HA   TYR  12           HA       TYR  12   5.870  -4.558  -5.699
   76   1HB   TYR  12          1HB       TYR  12   8.210  -5.463  -5.345
   77   2HB   TYR  12          2HB       TYR  12   8.426  -5.261  -7.072
   78    HD1  TYR  12           1HD      TYR  12   7.524  -2.753  -7.883
   79    HD2  TYR  12           2HD      TYR  12   9.249  -3.878  -4.122
   80    HE1  TYR  12           1HE      TYR  12   8.112  -0.374  -7.439
   81    HE2  TYR  12           2HE      TYR  12   9.915  -1.520  -3.700
   82    HH   TYR  12           HH       TYR  12   9.722   0.525  -4.373
   83    H    GLN  13           H        GLN  13   7.150  -6.118  -8.662
   84    HA   GLN  13           HA       GLN  13   6.533  -4.046 -10.426
   85   1HB   GLN  13          1HB       GLN  13   7.896  -5.763 -11.241
   86   2HB   GLN  13          2HB       GLN  13   6.754  -7.007 -10.773
   87   1HG   GLN  13          1HG       GLN  13   5.742  -5.036 -12.703
   88   2HG   GLN  13          2HG       GLN  13   7.020  -6.079 -13.294
   89   1HE2  GLN  13          2HE2      GLN  13   3.771  -5.771 -13.093
   90   2HE2  GLN  13          1HE2      GLN  13   3.286  -7.452 -13.114
   91    H    GLN  14           H        GLN  14   4.469  -6.772  -9.364
   92    HA   GLN  14           HA       GLN  14   2.294  -6.152 -11.014
   93   1HB   GLN  14          1HB       GLN  14   2.636  -7.610  -8.483
   94   2HB   GLN  14          2HB       GLN  14   1.011  -7.157  -8.957
   95   1HG   GLN  14          1HG       GLN  14   0.921  -8.793 -10.460
   96   2HG   GLN  14          2HG       GLN  14   2.437  -8.290 -11.181
   97   1HE2  GLN  14          2HE2      GLN  14   4.207  -8.680  -9.103
   98   2HE2  GLN  14          1HE2      GLN  14   4.276 -10.382  -8.703
   99    H    MET  15           H        MET  15   3.222  -4.827  -7.889
  100    HA   MET  15           HA       MET  15   0.954  -3.388  -7.255
  101   1HB   MET  15          1HB       MET  15   3.756  -2.413  -6.879
  102   2HB   MET  15          2HB       MET  15   2.336  -1.944  -5.966
  103   1HG   MET  15          1HG       MET  15   2.123  -4.412  -5.368
  104   2HG   MET  15          2HG       MET  15   3.764  -4.571  -5.961
  105   1HE   MET  15          1HE       MET  15   3.483  -5.457  -3.206
  106   2HE   MET  15          2HE       MET  15   5.073  -5.138  -3.983
  107   3HE   MET  15          3HE       MET  15   4.735  -4.505  -2.335
  108    H    GLU  16           H        GLU  16   3.836  -1.882  -8.814
  109    HA   GLU  16           HA       GLU  16   2.494   0.452  -9.577
  110   1HB   GLU  16          1HB       GLU  16   4.412   0.964 -10.727
  111   2HB   GLU  16          2HB       GLU  16   5.008  -0.277  -9.644
  112   1HG   GLU  16          1HG       GLU  16   4.489  -1.920 -11.538
  113   2HG   GLU  16          2HG       GLU  16   4.364  -0.505 -12.563
  114    H    GLU  17           H        GLU  17   2.569  -2.709 -11.109
  115    HA   GLU  17           HA       GLU  17   1.386  -1.827 -13.579
  116   1HB   GLU  17          1HB       GLU  17   2.822  -3.946 -13.075
  117   2HB   GLU  17          2HB       GLU  17   1.280  -4.655 -12.638
  118   1HG   GLU  17          1HG       GLU  17   0.589  -3.504 -14.963
  119   2HG   GLU  17          2HG       GLU  17   2.283  -3.804 -15.289
  120    H    ALA  18           H        ALA  18   0.192  -2.430 -10.471
  121    HA   ALA  18           HA       ALA  18  -2.561  -2.240 -11.364
  122   1HB   ALA  18          1HB       ALA  18  -2.197  -4.665 -11.289
  123   2HB   ALA  18          2HB       ALA  18  -1.560  -4.515  -9.615
  124   3HB   ALA  18          3HB       ALA  18  -3.286  -4.144  -9.955
  125    H    GLU  19           H        GLU  19  -1.346  -0.152 -10.391
  126    HA   GLU  19           HA       GLU  19  -0.792   0.194  -7.722
  127   1HB   GLU  19          1HB       GLU  19  -1.860   2.583  -8.228
  128   2HB   GLU  19          2HB       GLU  19  -0.296   2.093  -8.849
  129   1HG   GLU  19          1HG       GLU  19  -1.110   1.741 -10.995
  130   2HG   GLU  19          2HG       GLU  19  -2.754   1.492 -10.438
  131    H    MET  20           H        MET  20  -2.039  -0.907  -6.286
  132    HA   MET  20           HA       MET  20  -4.972  -0.553  -6.436
  133   1HB   MET  20          1HB       MET  20  -5.100  -2.456  -4.944
  134   2HB   MET  20          2HB       MET  20  -4.052  -2.861  -6.289
  135   1HG   MET  20          1HG       MET  20  -2.451  -1.697  -4.273
  136   2HG   MET  20          2HG       MET  20  -3.467  -2.906  -3.513
  137   1HE   MET  20          1HE       MET  20  -0.742  -2.114  -6.127
  138   2HE   MET  20          2HE       MET  20  -0.155  -2.431  -4.458
  139   3HE   MET  20          3HE       MET  20   0.274  -3.558  -5.791
  140    H    LEU  21           H        LEU  21  -2.108   0.172  -4.639
  141    HA   LEU  21           HA       LEU  21  -3.495   1.112  -2.318
  142   1HB   LEU  21          1HB       LEU  21  -0.937   0.336  -2.853
  143   2HB   LEU  21          2HB       LEU  21  -0.789   2.079  -2.753
  144    HG   LEU  21           HG       LEU  21  -1.265   0.108  -0.698
  145   1HD1  LEU  21          1HD1      LEU  21   0.739   1.391  -0.690
  146   2HD1  LEU  21          2HD1      LEU  21  -0.210   2.916  -0.604
  147   3HD1  LEU  21          3HD1      LEU  21  -0.236   1.761   0.775
  148   1HD2  LEU  21          1HD2      LEU  21  -2.845   2.660  -0.463
  149   2HD2  LEU  21          2HD2      LEU  21  -3.501   0.989  -0.560
  150   3HD2  LEU  21          3HD2      LEU  21  -2.523   1.491   0.864
  151    H    ASN  22           H        ASN  22  -3.328   2.271  -5.422
  152    HA   ASN  22           HA       ASN  22  -3.205   5.087  -4.790
  153   1HB   ASN  22          1HB       ASN  22  -2.560   4.466  -6.967
  154   2HB   ASN  22          2HB       ASN  22  -3.992   3.483  -7.196
  155   1HD2  ASN  22          2HD2      ASN  22  -3.377   6.838  -6.142
  156   2HD2  ASN  22          1HD2      ASN  22  -4.595   7.562  -7.170
  157    H    HIS  23           H        HIS  23  -5.518   2.705  -4.188
  158    HA   HIS  23           HA       HIS  23  -7.717   4.672  -4.367
  159   1HB   HIS  23          1HB       HIS  23  -7.885   1.685  -4.312
  160   2HB   HIS  23          2HB       HIS  23  -9.223   2.800  -4.498
  161    HD1  HIS  23           1HD      HIS  23  -9.978   3.076  -6.908
  162    HD2  HIS  23           2HD      HIS  23  -5.892   2.085  -6.500
  163    HE1  HIS  23           1HE      HIS  23  -9.074   2.718  -9.289
  164    HE2  HIS  23           2HE      HIS  23  -6.559   2.226  -9.025
  165    H    CYS  24           H        CYS  24  -6.813   1.791  -2.452
  166    HA   CYS  24           HA       CYS  24  -8.159   2.712  -0.121
  167   1HB   CYS  24          1HB       CYS  24  -6.131   0.641  -0.723
  168   2HB   CYS  24          2HB       CYS  24  -6.408   1.081   0.951
  169    H    GLY  25           H        GLY  25  -5.038   3.432  -1.477
  170   1HA   GLY  25          1HA       GLY  25  -3.795   4.450   0.854
  171   2HA   GLY  25          2HA       GLY  25  -3.355   4.790  -0.808
  172    H    MET  26           H        MET  26  -5.379   6.170  -1.884
  173    HA   MET  26           HA       MET  26  -5.159   8.758  -0.996
  174   1HB   MET  26          1HB       MET  26  -7.045   7.232  -2.598
  175   2HB   MET  26          2HB       MET  26  -7.743   8.657  -1.853
  176   1HG   MET  26          1HG       MET  26  -5.695   9.879  -2.798
  177   2HG   MET  26          2HG       MET  26  -5.526   8.474  -3.830
  178   1HE   MET  26          1HE       MET  26  -5.811  11.273  -5.101
  179   2HE   MET  26          2HE       MET  26  -5.780   9.746  -6.050
  180   3HE   MET  26          3HE       MET  26  -7.056  10.972  -6.363
  181    H    TYR  27           H        TYR  27  -7.674   6.390   0.028
  182    HA   TYR  27           HA       TYR  27  -9.160   7.955   1.750
  183   1HB   TYR  27          1HB       TYR  27  -9.681   5.696   1.199
  184   2HB   TYR  27          2HB       TYR  27  -8.211   5.124   1.961
  185    HD1  TYR  27           1HD      TYR  27  -8.200   4.439   4.207
  186    HD2  TYR  27           2HD      TYR  27 -11.458   6.774   2.643
  187    HE1  TYR  27           1HE      TYR  27  -9.439   4.109   6.351
  188    HE2  TYR  27           2HE      TYR  27 -12.709   6.441   4.778
  189    HH   TYR  27           HH       TYR  27 -12.679   5.561   6.790
  190    H    LEU  28           H        LEU  28  -6.098   6.330   2.457
  191    HA   LEU  28           HA       LEU  28  -6.038   7.411   5.153
  192   1HB   LEU  28          1HB       LEU  28  -3.774   5.990   3.922
  193   2HB   LEU  28          2HB       LEU  28  -4.358   5.960   5.574
  194    HG   LEU  28           HG       LEU  28  -6.197   4.803   3.675
  195   1HD1  LEU  28          1HD1      LEU  28  -4.186   4.123   2.508
  196   2HD1  LEU  28          2HD1      LEU  28  -3.507   3.473   4.041
  197   3HD1  LEU  28          3HD1      LEU  28  -4.960   2.710   3.305
  198   1HD2  LEU  28          1HD2      LEU  28  -4.956   3.860   6.231
  199   2HD2  LEU  28          2HD2      LEU  28  -6.530   4.704   6.032
  200   3HD2  LEU  28          3HD2      LEU  28  -6.304   3.052   5.359
  201    H    MET  29           H        MET  29  -4.804   8.145   2.025
  202    HA   MET  29           HA       MET  29  -2.896  10.105   2.968
  203   1HB   MET  29          1HB       MET  29  -3.027   8.452   0.742
  204   2HB   MET  29          2HB       MET  29  -3.294  10.073   0.130
  205   1HG   MET  29          1HG       MET  29  -1.222  10.341   1.964
  206   2HG   MET  29          2HG       MET  29  -0.864   8.858   1.103
  207   1HE   MET  29          1HE       MET  29  -1.397  12.688   0.950
  208   2HE   MET  29          2HE       MET  29   0.276  12.146   1.328
  209   3HE   MET  29          3HE       MET  29  -0.057  13.042  -0.196
  210    H    LYS  30           H        LYS  30  -6.037  10.223   3.032
  211    HA   LYS  30           HA       LYS  30  -6.489  12.611   1.416
  212   1HB   LYS  30          1HB       LYS  30  -8.110  10.525   2.089
  213   2HB   LYS  30          2HB       LYS  30  -8.594  11.728   3.267
  214   1HG   LYS  30          1HG       LYS  30  -9.763  12.823   1.703
  215   2HG   LYS  30          2HG       LYS  30  -8.320  13.004   0.727
  216   1HD   LYS  30          1HD       LYS  30  -8.723  10.737  -0.216
  217   2HD   LYS  30          2HD       LYS  30 -10.217  10.655   0.694
  218   1HE   LYS  30          1HE       LYS  30  -9.668  12.929  -1.192
  219   2HE   LYS  30          2HE       LYS  30 -10.358  11.423  -1.764
  220   1HZ   LYS  30          1HZ       LYS  30 -12.140  11.702  -0.202
  221   2HZ   LYS  30          2HZ       LYS  30 -11.488  13.125   0.339
  222   3HZ   LYS  30          3HZ       LYS  30 -12.051  13.009  -1.215
  223    H    ASN  31           H        ASN  31  -5.804  11.632   4.672
  224    HA   ASN  31           HA       ASN  31  -6.121  14.414   5.602
  225   1HB   ASN  31          1HB       ASN  31  -6.598  11.903   6.761
  226   2HB   ASN  31          2HB       ASN  31  -5.215  12.571   7.602
  227   1HD2  ASN  31          2HD2      ASN  31  -6.806  12.453   9.391
  228   2HD2  ASN  31          1HD2      ASN  31  -7.851  13.835   9.637
  229    H    LEU  32           H        LEU  32  -3.780  12.359   4.324
  230    HA   LEU  32           HA       LEU  32  -1.566  13.489   5.850
  231   1HB   LEU  32          1HB       LEU  32  -1.705  11.584   3.543
  232   2HB   LEU  32          2HB       LEU  32  -0.210  12.094   4.301
  233    HG   LEU  32           HG       LEU  32  -2.451  10.783   5.809
  234   1HD1  LEU  32          1HD1      LEU  32  -1.676   9.315   4.023
  235   2HD1  LEU  32          2HD1      LEU  32   0.023   9.574   4.555
  236   3HD1  LEU  32          3HD1      LEU  32  -1.134   8.710   5.627
  237   1HD2  LEU  32          1HD2      LEU  32   0.492  11.155   6.460
  238   2HD2  LEU  32          2HD2      LEU  32  -0.868  12.075   7.193
  239   3HD2  LEU  32          3HD2      LEU  32  -0.716  10.309   7.489
  240    H    GLY  33           H        GLY  33  -3.409  14.354   3.129
  241   1HA   GLY  33          1HA       GLY  33  -2.682  16.800   2.592
  242   2HA   GLY  33          2HA       GLY  33  -1.281  15.985   1.925
  243    H    GLU  34           H        GLU  34  -3.075  17.608   0.436
  244    HA   GLU  34           HA       GLU  34  -4.351  15.555  -1.294
  245   1HB   GLU  34          1HB       GLU  34  -5.931  17.133  -0.135
  246   2HB   GLU  34          2HB       GLU  34  -5.207  18.427  -1.069
  247   1HG   GLU  34          1HG       GLU  34  -7.027  17.808  -2.402
  248   2HG   GLU  34          2HG       GLU  34  -5.709  16.902  -3.118
  249    H    ARG  35           H        ARG  35  -2.119  15.375  -2.154
  250    HA   ARG  35           HA       ARG  35  -1.481  17.619  -3.996
  251   1HB   ARG  35          1HB       ARG  35   0.116  15.889  -2.349
  252   2HB   ARG  35          2HB       ARG  35   0.599  15.747  -4.027
  253   1HG   ARG  35          1HG       ARG  35   1.090  18.045  -4.200
  254   2HG   ARG  35          2HG       ARG  35   0.178  18.434  -2.755
  255   1HD   ARG  35          1HD       ARG  35   2.435  16.552  -2.412
  256   2HD   ARG  35          2HD       ARG  35   2.859  18.214  -2.771
  257    HE   ARG  35           HE       ARG  35   1.666  17.188  -0.314
  258   1HH1  ARG  35          1HH2      ARG  35   2.270  20.046  -2.248
  259   2HH1  ARG  35          2HH2      ARG  35   2.053  21.132  -0.893
  260   1HH2  ARG  35          1HH1      ARG  35   1.378  18.624   1.391
  261   2HH2  ARG  35          2HH1      ARG  35   1.558  20.343   1.123
  262    H    SER  36           H        SER  36  -1.467  17.349  -6.161
  263    HA   SER  36           HA       SER  36  -1.166  14.852  -7.471
  264   1HB   SER  36          1HB       SER  36  -3.592  14.796  -6.417
  265   2HB   SER  36          2HB       SER  36  -3.975  15.807  -7.797
  266    HG   SER  36           HG       SER  36  -4.217  13.566  -8.260
  267    H    GLN  37           H        GLN  37  -0.841  15.153  -9.646
  268    HA   GLN  37           HA       GLN  37  -1.563  17.787 -10.769
  269   1HB   GLN  37          1HB       GLN  37   0.737  17.997  -9.966
  270   2HB   GLN  37          2HB       GLN  37   1.191  16.582 -10.895
  271   1HG   GLN  37          1HG       GLN  37   0.006  18.092 -12.816
  272   2HG   GLN  37          2HG       GLN  37   0.684  19.342 -11.793
  273   1HE2  GLN  37          2HE2      GLN  37   1.729  19.514 -14.110
  274   2HE2  GLN  37          1HE2      GLN  37   3.293  18.744 -14.245
  275    H    VAL  38           H        VAL  38  -2.926  17.217 -12.309
  276    HA   VAL  38           HA       VAL  38  -1.953  15.778 -14.588
  277    HB   VAL  38           HB       VAL  38  -2.524  13.987 -12.889
  278   1HG1  VAL  38          1HG1      VAL  38  -4.590  14.897 -11.989
  279   2HG1  VAL  38          2HG1      VAL  38  -5.359  14.763 -13.609
  280   3HG1  VAL  38          3HG1      VAL  38  -4.873  13.278 -12.719
  281   1HG2  VAL  38          1HG2      VAL  38  -3.835  13.915 -15.611
  282   2HG2  VAL  38          2HG2      VAL  38  -2.134  13.483 -15.221
  283   3HG2  VAL  38          3HG2      VAL  38  -3.484  12.481 -14.584
  284    H    SER  39           H        SER  39  -3.767  15.536 -16.253
  285    HA   SER  39           HA       SER  39  -5.720  17.742 -15.907
  286   1HB   SER  39          1HB       SER  39  -3.896  17.089 -18.125
  287   2HB   SER  39          2HB       SER  39  -5.504  17.633 -18.557
  288    HG   SER  39           HG       SER  39  -4.027  19.376 -18.307
  289    HA   PRO  40           HA       PRO  40  -8.001  13.845 -16.600
  290   1HB   PRO  40          1HB       PRO  40  -9.876  14.234 -14.602
  291   2HB   PRO  40          2HB       PRO  40  -8.405  13.300 -14.416
  292   1HG   PRO  40          1HG       PRO  40  -9.043  15.959 -13.344
  293   2HG   PRO  40          2HG       PRO  40  -7.765  14.860 -12.864
  294   1HD   PRO  40          1HD       PRO  40  -7.526  17.179 -14.496
  295   2HD   PRO  40          2HD       PRO  40  -6.266  16.033 -14.087
  296    H    ARG  41           H        ARG  41  -8.641  14.750 -18.587
  297    HA   ARG  41           HA       ARG  41 -10.197  16.937 -19.112
  298   1HB   ARG  41          1HB       ARG  41  -9.216  15.215 -20.738
  299   2HB   ARG  41          2HB       ARG  41 -10.718  14.341 -20.514
  300   1HG   ARG  41          1HG       ARG  41 -11.769  15.713 -21.946
  301   2HG   ARG  41          2HG       ARG  41 -11.302  17.108 -20.995
  302   1HD   ARG  41          1HD       ARG  41  -9.460  17.547 -22.289
  303   2HD   ARG  41          2HD       ARG  41  -9.236  15.864 -22.724
  304    HE   ARG  41           HE       ARG  41 -11.617  16.605 -23.926
  305   1HH1  ARG  41          1HH2      ARG  41  -8.298  17.690 -24.111
  306   2HH1  ARG  41          2HH2      ARG  41  -8.460  18.223 -25.769
  307   1HH2  ARG  41          1HH1      ARG  41 -11.785  17.300 -26.045
  308   2HH2  ARG  41          2HH1      ARG  41 -10.399  18.005 -26.844
  309    H    MET  42           H        MET  42 -11.516  13.649 -18.732
  310    HA   MET  42           HA       MET  42 -13.803  14.739 -17.253
  311   1HB   MET  42          1HB       MET  42 -14.239  13.083 -19.723
  312   2HB   MET  42          2HB       MET  42 -15.457  13.851 -18.725
  313   1HG   MET  42          1HG       MET  42 -14.306  16.043 -19.351
  314   2HG   MET  42          2HG       MET  42 -13.519  15.116 -20.613
  315   1HE   MET  42          1HE       MET  42 -14.279  15.227 -22.869
  316   2HE   MET  42          2HE       MET  42 -14.897  13.619 -22.355
  317   3HE   MET  42          3HE       MET  42 -15.936  14.709 -23.336
  318    H    ARG  43           H        ARG  43 -13.224  13.510 -15.460
  319    HA   ARG  43           HA       ARG  43 -14.089  10.754 -15.528
  320   1HB   ARG  43          1HB       ARG  43 -11.248  11.388 -15.790
  321   2HB   ARG  43          2HB       ARG  43 -11.592  10.366 -14.409
  322   1HG   ARG  43          1HG       ARG  43 -11.985   8.583 -15.720
  323   2HG   ARG  43          2HG       ARG  43 -13.061   9.502 -16.754
  324   1HD   ARG  43          1HD       ARG  43 -10.261  10.208 -17.139
  325   2HD   ARG  43          2HD       ARG  43 -10.578   8.517 -17.466
  326    HE   ARG  43           HE       ARG  43 -11.251  10.735 -19.125
  327   1HH1  ARG  43          1HH2      ARG  43 -12.275   7.518 -18.247
  328   2HH1  ARG  43          2HH2      ARG  43 -13.292   7.343 -19.660
  329   1HH2  ARG  43          1HH1      ARG  43 -12.662  10.515 -20.879
  330   2HH2  ARG  43          2HH1      ARG  43 -13.507   9.001 -21.117
  331    H    GLU  44           H        GLU  44 -13.997   9.790 -13.383
  332    HA   GLU  44           HA       GLU  44 -13.151  11.195 -11.079
  333   1HB   GLU  44          1HB       GLU  44 -15.173  12.604 -11.955
  334   2HB   GLU  44          2HB       GLU  44 -16.129  11.298 -11.283
  335   1HG   GLU  44          1HG       GLU  44 -14.024  12.300  -9.503
  336   2HG   GLU  44          2HG       GLU  44 -15.277  13.469  -9.873
  337    H    GLU  45           H        GLU  45 -13.778  10.111  -9.117
  338    HA   GLU  45           HA       GLU  45 -15.588   7.984  -8.938
  339   1HB   GLU  45          1HB       GLU  45 -13.224   7.258 -10.344
  340   2HB   GLU  45          2HB       GLU  45 -13.160   6.484  -8.773
  341   1HG   GLU  45          1HG       GLU  45 -15.248   5.391  -9.120
  342   2HG   GLU  45          2HG       GLU  45 -15.616   6.385 -10.515
  343    H    ASP  46           H        ASP  46 -15.225   6.666  -6.939
  344    HA   ASP  46           HA       ASP  46 -13.578   8.155  -4.966
  345   1HB   ASP  46          1HB       ASP  46 -16.227   8.326  -4.943
  346   2HB   ASP  46          2HB       ASP  46 -16.062   6.805  -4.088
  347    H    HIS  47           H        HIS  47 -12.801   6.865  -3.148
  348    HA   HIS  47           HA       HIS  47 -12.437   4.047  -3.916
  349   1HB   HIS  47          1HB       HIS  47 -11.245   5.533  -1.603
  350   2HB   HIS  47          2HB       HIS  47 -10.706   4.008  -2.280
  351    HD1  HIS  47           1HD      HIS  47 -10.757   4.810  -5.361
  352    HD2  HIS  47           2HD      HIS  47  -9.248   7.140  -2.192
  353    HE1  HIS  47           1HE      HIS  47  -9.048   6.429  -6.408
  354    HE2  HIS  47           2HE      HIS  47  -8.054   7.743  -4.437
  355    H    LYS  48           H        LYS  48 -12.401   2.499  -1.946
  356    HA   LYS  48           HA       LYS  48 -13.837   2.661   0.342
  357   1HB   LYS  48          1HB       LYS  48 -15.674   2.814  -1.920
  358   2HB   LYS  48          2HB       LYS  48 -16.070   1.531  -0.795
  359   1HG   LYS  48          1HG       LYS  48 -15.382   4.242   0.277
  360   2HG   LYS  48          2HG       LYS  48 -16.984   3.970  -0.379
  361   1HD   LYS  48          1HD       LYS  48 -17.574   3.070   1.578
  362   2HD   LYS  48          2HD       LYS  48 -16.449   1.764   1.267
  363   1HE   LYS  48          1HE       LYS  48 -15.385   2.452   3.133
  364   2HE   LYS  48          2HE       LYS  48 -14.801   3.786   2.159
  365   1HZ   LYS  48          1HZ       LYS  48 -16.699   5.056   2.843
  366   2HZ   LYS  48          2HZ       LYS  48 -17.252   3.795   3.764
  367   3HZ   LYS  48          3HZ       LYS  48 -15.835   4.554   4.163
  368    H    GLN  49           H        GLN  49 -13.709   0.725  -2.617
  369    HA   GLN  49           HA       GLN  49 -12.468  -1.451  -1.158
  370   1HB   GLN  49          1HB       GLN  49 -15.274  -1.477  -1.473
  371   2HB   GLN  49          2HB       GLN  49 -14.623  -2.682  -2.565
  372   1HG   GLN  49          1HG       GLN  49 -13.217  -3.500  -0.615
  373   2HG   GLN  49          2HG       GLN  49 -14.198  -2.469   0.407
  374   1HE2  GLN  49          2HE2      GLN  49 -13.826  -5.523  -0.041
  375   2HE2  GLN  49          1HE2      GLN  49 -15.471  -6.112  -0.135
  376    H    LEU  50           H        LEU  50 -11.927   0.446  -3.385
  377    HA   LEU  50           HA       LEU  50 -11.940  -1.108  -5.818
  378   1HB   LEU  50          1HB       LEU  50 -10.923   1.508  -4.903
  379   2HB   LEU  50          2HB       LEU  50 -10.149   0.795  -6.303
  380    HG   LEU  50           HG       LEU  50 -13.114   0.911  -6.259
  381   1HD1  LEU  50          1HD1      LEU  50 -12.458   3.131  -5.448
  382   2HD1  LEU  50          2HD1      LEU  50 -11.315   3.292  -6.826
  383   3HD1  LEU  50          3HD1      LEU  50 -13.086   3.228  -7.129
  384   1HD2  LEU  50          1HD2      LEU  50 -11.040   1.334  -8.439
  385   2HD2  LEU  50          2HD2      LEU  50 -11.950  -0.186  -8.133
  386   3HD2  LEU  50          3HD2      LEU  50 -12.821   1.288  -8.680
  387    H    CYS  51           H        CYS  51  -9.384  -0.148  -3.440
  388    HA   CYS  51           HA       CYS  51  -7.291  -1.606  -4.633
  389   1HB   CYS  51          1HB       CYS  51  -6.128  -1.204  -2.752
  390   2HB   CYS  51          2HB       CYS  51  -7.385   0.007  -2.595
  391    H    CYS  52           H        CYS  52  -9.835  -2.640  -2.349
  392    HA   CYS  52           HA       CYS  52  -8.916  -5.260  -1.913
  393   1HB   CYS  52          1HB       CYS  52 -10.969  -3.814  -1.022
  394   2HB   CYS  52          2HB       CYS  52 -11.813  -4.808  -2.191
  395    H    MET  53           H        MET  53 -10.246  -3.803  -4.735
  396    HA   MET  53           HA       MET  53 -10.964  -6.240  -6.094
  397   1HB   MET  53          1HB       MET  53 -11.826  -3.774  -6.400
  398   2HB   MET  53          2HB       MET  53 -10.450  -3.656  -7.476
  399   1HG   MET  53          1HG       MET  53 -11.538  -6.021  -8.241
  400   2HG   MET  53          2HG       MET  53 -12.965  -5.106  -7.801
  401   1HE   MET  53          1HE       MET  53  -9.461  -4.232  -9.385
  402   2HE   MET  53          2HE       MET  53 -10.079  -5.688 -10.238
  403   3HE   MET  53          3HE       MET  53  -9.921  -4.131 -11.121
  404    H    GLN  54           H        GLN  54  -8.423  -3.731  -6.699
  405    HA   GLN  54           HA       GLN  54  -7.070  -5.292  -8.640
  406   1HB   GLN  54          1HB       GLN  54  -6.309  -2.993  -6.899
  407   2HB   GLN  54          2HB       GLN  54  -5.104  -3.776  -7.902
  408   1HG   GLN  54          1HG       GLN  54  -5.896  -2.825  -9.764
  409   2HG   GLN  54          2HG       GLN  54  -7.553  -3.211  -9.348
  410   1HE2  GLN  54          2HE2      GLN  54  -5.677  -0.729 -10.133
  411   2HE2  GLN  54          1HE2      GLN  54  -6.415   0.552  -9.198
  412    H    LEU  55           H        LEU  55  -6.571  -4.977  -5.119
  413    HA   LEU  55           HA       LEU  55  -4.317  -6.659  -4.935
  414   1HB   LEU  55          1HB       LEU  55  -6.464  -5.764  -3.115
  415   2HB   LEU  55          2HB       LEU  55  -5.439  -7.092  -2.608
  416    HG   LEU  55           HG       LEU  55  -3.924  -4.865  -3.607
  417   1HD1  LEU  55          1HD1      LEU  55  -5.745  -3.484  -2.786
  418   2HD1  LEU  55          2HD1      LEU  55  -5.679  -4.327  -1.198
  419   3HD1  LEU  55          3HD1      LEU  55  -4.299  -3.306  -1.733
  420   1HD2  LEU  55          1HD2      LEU  55  -3.907  -6.294  -0.943
  421   2HD2  LEU  55          2HD2      LEU  55  -2.887  -6.677  -2.373
  422   3HD2  LEU  55          3HD2      LEU  55  -2.671  -5.116  -1.505
  423    H    LYS  56           H        LYS  56  -7.813  -7.434  -4.995
  424    HA   LYS  56           HA       LYS  56  -7.499 -10.213  -4.587
  425   1HB   LYS  56          1HB       LYS  56  -9.632  -9.141  -4.435
  426   2HB   LYS  56          2HB       LYS  56  -9.568  -8.685  -6.125
  427   1HG   LYS  56          1HG       LYS  56 -10.331 -10.680  -6.793
  428   2HG   LYS  56          2HG       LYS  56  -9.231 -11.542  -5.736
  429   1HD   LYS  56          1HD       LYS  56 -10.751 -11.678  -4.040
  430   2HD   LYS  56          2HD       LYS  56 -11.532 -10.172  -4.476
  431   1HE   LYS  56          1HE       LYS  56 -12.157 -11.605  -6.650
  432   2HE   LYS  56          2HE       LYS  56 -12.016 -12.915  -5.495
  433   1HZ   LYS  56          1HZ       LYS  56 -13.559 -11.770  -4.080
  434   2HZ   LYS  56          2HZ       LYS  56 -13.693 -10.532  -5.172
  435   3HZ   LYS  56          3HZ       LYS  56 -14.236 -12.045  -5.566
  436    H    ASN  57           H        ASN  57  -6.608  -8.288  -7.302
  437    HA   ASN  57           HA       ASN  57  -6.333 -10.598  -9.061
  438   1HB   ASN  57          1HB       ASN  57  -6.490  -7.773  -9.327
  439   2HB   ASN  57          2HB       ASN  57  -4.969  -8.302 -10.015
  440   1HD2  ASN  57          2HD2      ASN  57  -7.084  -7.150 -11.469
  441   2HD2  ASN  57          1HD2      ASN  57  -7.725  -8.359 -12.558
  442    H    LEU  58           H        LEU  58  -4.399  -8.803  -6.790
  443    HA   LEU  58           HA       LEU  58  -1.847  -9.454  -7.775
  444   1HB   LEU  58          1HB       LEU  58  -2.983  -8.318  -5.372
  445   2HB   LEU  58          2HB       LEU  58  -1.586  -9.319  -5.029
  446    HG   LEU  58           HG       LEU  58  -1.664  -6.998  -6.934
  447   1HD1  LEU  58          1HD1      LEU  58  -1.744  -6.336  -4.560
  448   2HD1  LEU  58          2HD1      LEU  58  -0.311  -7.375  -4.239
  449   3HD1  LEU  58          3HD1      LEU  58  -0.154  -5.929  -5.297
  450   1HD2  LEU  58          1HD2      LEU  58   0.641  -8.768  -6.056
  451   2HD2  LEU  58          2HD2      LEU  58  -0.115  -8.765  -7.687
  452   3HD2  LEU  58          3HD2      LEU  58   0.771  -7.314  -7.105
  453    H    ASP  59           H        ASP  59  -0.299 -10.787  -6.271
  454    HA   ASP  59           HA       ASP  59  -1.215 -13.519  -6.613
  455   1HB   ASP  59          1HB       ASP  59   1.243 -12.227  -6.600
  456   2HB   ASP  59          2HB       ASP  59   1.250 -13.179  -5.128
  457    H    GLU  60           H        GLU  60  -2.082 -14.819  -5.036
  458    HA   GLU  60           HA       GLU  60  -2.837 -13.762  -2.517
  459   1HB   GLU  60          1HB       GLU  60  -3.318 -16.089  -3.976
  460   2HB   GLU  60          2HB       GLU  60  -2.568 -16.637  -2.490
  461   1HG   GLU  60          1HG       GLU  60  -4.267 -14.892  -1.424
  462   2HG   GLU  60          2HG       GLU  60  -5.160 -15.235  -2.891
  463    H    LYS  61           H        LYS  61   0.145 -15.105  -3.604
  464    HA   LYS  61           HA       LYS  61   1.168 -15.333  -0.861
  465   1HB   LYS  61          1HB       LYS  61   1.934 -16.415  -3.499
  466   2HB   LYS  61          2HB       LYS  61   3.209 -16.157  -2.325
  467   1HG   LYS  61          1HG       LYS  61   1.606 -17.373  -0.672
  468   2HG   LYS  61          2HG       LYS  61   0.807 -17.947  -2.122
  469   1HD   LYS  61          1HD       LYS  61   3.569 -18.320  -2.542
  470   2HD   LYS  61          2HD       LYS  61   3.238 -18.890  -0.920
  471   1HE   LYS  61          1HE       LYS  61   1.482 -20.350  -1.758
  472   2HE   LYS  61          2HE       LYS  61   1.707 -19.729  -3.380
  473   1HZ   LYS  61          1HZ       LYS  61   3.929 -20.598  -3.352
  474   2HZ   LYS  61          2HZ       LYS  61   3.715 -21.185  -1.818
  475   3HZ   LYS  61          3HZ       LYS  61   2.833 -21.808  -3.073
  476    H    CYS  62           H        CYS  62   0.781 -12.911  -2.959
  477    HA   CYS  62           HA       CYS  62   3.233 -11.480  -2.170
  478   1HB   CYS  62          1HB       CYS  62   1.355 -11.195  -4.468
  479   2HB   CYS  62          2HB       CYS  62   2.462  -9.918  -4.006
  480    H    MET  63           H        MET  63   0.053 -11.916  -1.281
  481    HA   MET  63           HA       MET  63  -0.471  -9.116  -0.653
  482   1HB   MET  63          1HB       MET  63  -2.019 -11.621  -0.092
  483   2HB   MET  63          2HB       MET  63  -2.592  -9.985   0.158
  484   1HG   MET  63          1HG       MET  63  -1.923  -9.815  -2.404
  485   2HG   MET  63          2HG       MET  63  -2.293 -11.526  -2.322
  486   1HE   MET  63          1HE       MET  63  -4.522 -12.552  -2.386
  487   2HE   MET  63          2HE       MET  63  -4.547 -12.170  -0.629
  488   3HE   MET  63          3HE       MET  63  -5.981 -11.803  -1.650
  489    H    CYS  64           H        CYS  64   1.451  -8.932   0.784
  490    HA   CYS  64           HA       CYS  64   1.171  -8.853   3.409
  491   1HB   CYS  64          1HB       CYS  64   0.627 -10.895   4.151
  492   2HB   CYS  64          2HB       CYS  64   1.350 -11.707   2.777
  493    HA   PRO  65           HA       PRO  65   5.738  -9.560   2.650
  494   1HB   PRO  65          1HB       PRO  65   6.540 -10.812   0.318
  495   2HB   PRO  65          2HB       PRO  65   6.337 -11.618   1.861
  496   1HG   PRO  65          1HG       PRO  65   4.645 -11.769  -0.533
  497   2HG   PRO  65          2HG       PRO  65   4.700 -12.849   0.847
  498   1HD   PRO  65          1HD       PRO  65   2.774 -10.843   0.313
  499   2HD   PRO  65          2HD       PRO  65   2.899 -11.840   1.749
  500    H    ALA  66           H        ALA  66   3.848  -9.024  -0.291
  501    HA   ALA  66           HA       ALA  66   5.715  -7.115  -1.379
  502   1HB   ALA  66          1HB       ALA  66   4.267  -8.485  -2.805
  503   2HB   ALA  66          2HB       ALA  66   2.824  -7.746  -2.029
  504   3HB   ALA  66          3HB       ALA  66   3.925  -6.734  -3.027
  505    H    ILE  67           H        ILE  67   2.707  -7.011   0.547
  506    HA   ILE  67           HA       ILE  67   2.020  -4.373   0.465
  507    HB   ILE  67           HB       ILE  67   2.158  -6.296   2.730
  508   1HG1  ILE  67          1HG1      ILE  67   0.487  -6.167   0.616
  509   2HG1  ILE  67          2HG1      ILE  67   0.066  -6.879   2.161
  510   1HG2  ILE  67          1HG2      ILE  67   2.471  -4.106   3.757
  511   2HG2  ILE  67          2HG2      ILE  67   1.044  -3.476   2.862
  512   3HG2  ILE  67          3HG2      ILE  67   0.828  -4.739   4.123
  513   1HD1  ILE  67          1HD1      ILE  67  -0.944  -4.758   2.890
  514   2HD1  ILE  67          2HD1      ILE  67  -0.511  -4.027   1.306
  515   3HD1  ILE  67          3HD1      ILE  67  -1.705  -5.369   1.380
  516    H    MET  68           H        MET  68   4.800  -5.731   2.202
  517    HA   MET  68           HA       MET  68   5.755  -3.470   3.477
  518   1HB   MET  68          1HB       MET  68   6.706  -6.019   2.827
  519   2HB   MET  68          2HB       MET  68   7.918  -4.886   2.265
  520   1HG   MET  68          1HG       MET  68   7.869  -3.797   4.489
  521   2HG   MET  68          2HG       MET  68   6.751  -5.031   5.035
  522   1HE   MET  68          1HE       MET  68   9.020  -4.868   6.873
  523   2HE   MET  68          2HE       MET  68   7.905  -6.278   6.849
  524   3HE   MET  68          3HE       MET  68   9.684  -6.538   6.910
  525    H    MET  69           H        MET  69   6.889  -4.554   0.267
  526    HA   MET  69           HA       MET  69   8.182  -2.163  -0.416
  527   1HB   MET  69          1HB       MET  69   7.077  -4.478  -1.930
  528   2HB   MET  69          2HB       MET  69   7.771  -3.111  -2.779
  529   1HG   MET  69          1HG       MET  69   9.176  -4.742  -0.674
  530   2HG   MET  69          2HG       MET  69   9.419  -4.900  -2.402
  531   1HE   MET  69          1HE       MET  69  11.773  -4.425  -0.326
  532   2HE   MET  69          2HE       MET  69  12.016  -4.582  -2.101
  533   3HE   MET  69          3HE       MET  69  12.750  -3.203  -1.211
  534    H    MET  70           H        MET  70   4.802  -3.027  -0.616
  535    HA   MET  70           HA       MET  70   3.959  -1.135  -2.518
  536   1HB   MET  70          1HB       MET  70   2.219  -2.462  -2.030
  537   2HB   MET  70          2HB       MET  70   2.767  -2.739  -0.389
  538   1HG   MET  70          1HG       MET  70   1.920  -0.452   0.147
  539   2HG   MET  70          2HG       MET  70   1.161  -0.457  -1.432
  540   1HE   MET  70          1HE       MET  70   0.460  -0.690   2.085
  541   2HE   MET  70          2HE       MET  70  -0.627   0.181   0.947
  542   3HE   MET  70          3HE       MET  70  -1.257  -1.198   1.914
  543    H    LEU  71           H        LEU  71   4.687  -0.809   0.918
  544    HA   LEU  71           HA       LEU  71   3.943   2.036   0.764
  545   1HB   LEU  71          1HB       LEU  71   4.438   0.116   3.004
  546   2HB   LEU  71          2HB       LEU  71   4.425   1.845   3.283
  547    HG   LEU  71           HG       LEU  71   2.160   0.497   1.902
  548   1HD1  LEU  71          1HD1      LEU  71   2.478  -0.741   3.981
  549   2HD1  LEU  71          2HD1      LEU  71   2.508   0.806   4.897
  550   3HD1  LEU  71          3HD1      LEU  71   1.002   0.280   4.069
  551   1HD2  LEU  71          1HD2      LEU  71   2.355   3.017   3.566
  552   2HD2  LEU  71          2HD2      LEU  71   2.247   2.931   1.773
  553   3HD2  LEU  71          3HD2      LEU  71   0.863   2.387   2.784
  554    H    ASN  72           H        ASN  72   6.334   0.844  -0.612
  555    HA   ASN  72           HA       ASN  72   8.346   2.618   0.633
  556   1HB   ASN  72          1HB       ASN  72   8.670  -0.145  -0.482
  557   2HB   ASN  72          2HB       ASN  72  10.022   0.944  -0.240
  558   1HD2  ASN  72          2HD2      ASN  72   9.570   2.125   2.123
  559   2HD2  ASN  72          1HD2      ASN  72   9.536   0.925   3.395
  560    H    GLU  73           H        GLU  73   6.298   2.402  -1.792
  561    HA   GLU  73           HA       GLU  73   8.080   2.736  -4.033
  562   1HB   GLU  73          1HB       GLU  73   6.225   2.555  -5.303
  563   2HB   GLU  73          2HB       GLU  73   5.575   1.876  -3.826
  564   1HG   GLU  73          1HG       GLU  73   4.868   4.312  -3.288
  565   2HG   GLU  73          2HG       GLU  73   5.117   4.596  -4.999
  566    HA   PRO  74           HA       PRO  74   8.405   7.118  -4.102
  567   1HB   PRO  74          1HB       PRO  74   7.774   7.827  -6.678
  568   2HB   PRO  74          2HB       PRO  74   9.314   7.160  -6.174
  569   1HG   PRO  74          1HG       PRO  74   7.151   5.872  -7.697
  570   2HG   PRO  74          2HG       PRO  74   8.836   5.406  -7.568
  571   1HD   PRO  74          1HD       PRO  74   6.621   4.269  -6.201
  572   2HD   PRO  74          2HD       PRO  74   8.315   3.861  -6.011
  573    H    MET  75           H        MET  75   6.044   6.387  -2.923
  574    HA   MET  75           HA       MET  75   4.476   8.740  -3.189
  575   1HB   MET  75          1HB       MET  75   3.812   7.171  -5.181
  576   2HB   MET  75          2HB       MET  75   2.922   6.313  -3.940
  577   1HG   MET  75          1HG       MET  75   1.907   8.551  -3.308
  578   2HG   MET  75          2HG       MET  75   2.599   9.179  -4.789
  579   1HE   MET  75          1HE       MET  75   0.015   9.904  -5.261
  580   2HE   MET  75          2HE       MET  75   1.100   9.561  -6.652
  581   3HE   MET  75          3HE       MET  75  -0.591   8.952  -6.660
  582    H    TRP  76           H        TRP  76   5.848   6.820  -1.250
  583    HA   TRP  76           HA       TRP  76   3.825   7.026   0.806
  584   1HB   TRP  76          1HB       TRP  76   4.825   4.335  -0.076
  585   2HB   TRP  76          2HB       TRP  76   3.896   4.635   1.379
  586    HD1  TRP  76           HD       TRP  76   3.476   3.603  -2.098
  587    HE1  TRP  76           1HE      TRP  76   1.085   3.939  -2.978
  588    HE3  TRP  76           3HE      TRP  76   1.651   6.400   1.702
  589    HZ2  TRP  76           2HZ      TRP  76  -1.391   5.012  -1.977
  590    HZ3  TRP  76           3HZ      TRP  76  -0.750   6.970   1.795
  591    HH2  TRP  76           HH       TRP  76  -2.262   6.297  -0.029
  592    H    ILE  77           H        ILE  77   5.585   8.572   1.321
  593    HA   ILE  77           HA       ILE  77   8.040   7.214   2.261
  594    HB   ILE  77           HB       ILE  77   7.733  10.142   1.798
  595   1HG1  ILE  77          1HG1      ILE  77   7.444   9.382  -0.353
  596   2HG1  ILE  77          2HG1      ILE  77   9.176   9.637  -0.262
  597   1HG2  ILE  77          1HG2      ILE  77   9.521   9.569   3.349
  598   2HG2  ILE  77          2HG2      ILE  77  10.181   8.387   2.166
  599   3HG2  ILE  77          3HG2      ILE  77  10.211  10.145   1.793
  600   1HD1  ILE  77          1HD1      ILE  77   9.532   7.226   0.168
  601   2HD1  ILE  77          2HD1      ILE  77   7.755   6.963   0.074
  602   3HD1  ILE  77          3HD1      ILE  77   8.664   7.496  -1.383
  603    H    ARG  78           H        ARG  78   7.776  10.275   3.603
  604    HA   ARG  78           HA       ARG  78   7.219   9.166   6.213
  605   1HB   ARG  78          1HB       ARG  78   7.607  12.024   5.381
  606   2HB   ARG  78          2HB       ARG  78   7.693  11.388   7.012
  607   1HG   ARG  78          1HG       ARG  78   9.548  10.650   4.750
  608   2HG   ARG  78          2HG       ARG  78   9.934  11.747   6.061
  609   1HD   ARG  78          1HD       ARG  78   9.236   8.831   6.380
  610   2HD   ARG  78          2HD       ARG  78  10.854   9.496   6.451
  611    HE   ARG  78           HE       ARG  78   9.318  10.898   8.322
  612   1HH1  ARG  78          1HH2      ARG  78  10.449   7.634   7.869
  613   2HH1  ARG  78          2HH2      ARG  78  10.484   7.293   9.585
  614   1HH2  ARG  78          1HH1      ARG  78   9.370  10.449  10.511
  615   2HH2  ARG  78          2HH1      ARG  78   9.879   8.869  11.062
  616    H    MET  79           H        MET  79   5.132   9.280   4.028
  617    HA   MET  79           HA       MET  79   3.066  10.903   5.386
  618   1HB   MET  79          1HB       MET  79   2.048  10.196   2.938
  619   2HB   MET  79          2HB       MET  79   2.757  11.751   3.330
  620   1HG   MET  79          1HG       MET  79   4.948  10.907   2.572
  621   2HG   MET  79          2HG       MET  79   4.181   9.401   2.107
  622   1HE   MET  79          1HE       MET  79   3.945   8.933  -0.181
  623   2HE   MET  79          2HE       MET  79   2.259   9.215   0.379
  624   3HE   MET  79          3HE       MET  79   2.801   9.866  -1.208
  625    H    ARG  80           H        ARG  80   3.910   7.795   3.879
  626    HA   ARG  80           HA       ARG  80   1.448   6.536   4.410
  627   1HB   ARG  80          1HB       ARG  80   2.838   4.424   4.506
  628   2HB   ARG  80          2HB       ARG  80   2.899   5.341   3.014
  629   1HG   ARG  80          1HG       ARG  80   5.003   6.177   3.465
  630   2HG   ARG  80          2HG       ARG  80   4.872   5.838   5.179
  631   1HD   ARG  80          1HD       ARG  80   5.079   3.481   4.749
  632   2HD   ARG  80          2HD       ARG  80   5.145   3.787   3.025
  633    HE   ARG  80           HE       ARG  80   7.195   5.305   3.955
  634   1HH1  ARG  80          1HH2      ARG  80   6.382   2.004   4.788
  635   2HH1  ARG  80          2HH2      ARG  80   8.058   1.510   4.883
  636   1HH2  ARG  80          1HH1      ARG  80   9.332   4.590   3.954
  637   2HH2  ARG  80          2HH1      ARG  80   9.691   2.942   4.421
  638    H    ASP  81           H        ASP  81   3.950   7.473   6.640
  639    HA   ASP  81           HA       ASP  81   3.883   5.722   8.707
  640   1HB   ASP  81          1HB       ASP  81   4.461   8.402   8.371
  641   2HB   ASP  81          2HB       ASP  81   3.237   8.399   9.625
  642    H    GLN  82           H        GLN  82   1.224   7.853   7.747
  643    HA   GLN  82           HA       GLN  82  -0.510   6.879   9.863
  644   1HB   GLN  82          1HB       GLN  82  -0.417   9.207   8.664
  645   2HB   GLN  82          2HB       GLN  82  -1.514   8.417   7.550
  646   1HG   GLN  82          1HG       GLN  82  -3.032   9.212   9.074
  647   2HG   GLN  82          2HG       GLN  82  -2.680   7.656   9.801
  648   1HE2  GLN  82          2HE2      GLN  82  -1.061  10.859   9.693
  649   2HE2  GLN  82          1HE2      GLN  82  -0.823  10.981  11.422
  650    H    VAL  83           H        VAL  83  -0.371   6.614   6.337
  651    HA   VAL  83           HA       VAL  83  -2.593   4.876   6.120
  652    HB   VAL  83           HB       VAL  83  -2.141   4.705   3.907
  653   1HG1  VAL  83          1HG1      VAL  83  -2.457   7.020   4.485
  654   2HG1  VAL  83          2HG1      VAL  83  -0.689   7.206   4.754
  655   3HG1  VAL  83          3HG1      VAL  83  -1.317   6.870   3.103
  656   1HG2  VAL  83          1HG2      VAL  83   0.794   5.118   4.406
  657   2HG2  VAL  83          2HG2      VAL  83  -0.018   3.565   4.003
  658   3HG2  VAL  83          3HG2      VAL  83   0.009   4.903   2.802
  659    H    MET  84           H        MET  84   0.338   4.316   7.576
  660    HA   MET  84           HA       MET  84   0.941   1.678   6.673
  661   1HB   MET  84          1HB       MET  84   2.157   3.710   8.285
  662   2HB   MET  84          2HB       MET  84   2.062   2.225   9.211
  663   1HG   MET  84          1HG       MET  84   2.945   1.196   6.938
  664   2HG   MET  84          2HG       MET  84   3.576   2.819   6.738
  665   1HE   MET  84          1HE       MET  84   5.702   3.619   7.579
  666   2HE   MET  84          2HE       MET  84   4.696   4.056   9.004
  667   3HE   MET  84          3HE       MET  84   6.301   3.279   9.240
  668    H    SER  85           H        SER  85   0.151   2.912   9.971
  669    HA   SER  85           HA       SER  85  -0.643   0.512  11.048
  670   1HB   SER  85          1HB       SER  85  -0.411   2.698  12.231
  671   2HB   SER  85          2HB       SER  85  -1.999   3.122  11.621
  672    HG   SER  85           HG       SER  85  -2.091   2.153  13.708
  673    H    MET  86           H        MET  86  -2.352   2.427   8.736
  674    HA   MET  86           HA       MET  86  -4.798   0.866   9.013
  675   1HB   MET  86          1HB       MET  86  -4.033   2.971   7.051
  676   2HB   MET  86          2HB       MET  86  -5.646   2.418   7.454
  677   1HG   MET  86          1HG       MET  86  -3.835   3.755   9.434
  678   2HG   MET  86          2HG       MET  86  -4.988   4.627   8.444
  679   1HE   MET  86          1HE       MET  86  -4.917   4.695  11.598
  680   2HE   MET  86          2HE       MET  86  -6.098   5.603  10.590
  681   3HE   MET  86          3HE       MET  86  -6.674   4.597  11.964
  682    H    ALA  87           H        ALA  87  -2.122   1.259   6.671
  683    HA   ALA  87           HA       ALA  87  -3.116  -0.491   4.701
  684   1HB   ALA  87          1HB       ALA  87  -1.322   1.129   4.274
  685   2HB   ALA  87          2HB       ALA  87  -0.272   0.257   5.445
  686   3HB   ALA  87          3HB       ALA  87  -0.781  -0.548   3.920
  687    H    HIS  88           H        HIS  88  -2.266  -1.195   7.875
  688    HA   HIS  88           HA       HIS  88  -1.407  -3.919   7.159
  689   1HB   HIS  88          1HB       HIS  88  -1.537  -2.905   9.934
  690   2HB   HIS  88          2HB       HIS  88  -0.454  -4.087   9.226
  691    HD1  HIS  88           1HD      HIS  88   0.228  -1.402  10.994
  692    HD2  HIS  88           2HD      HIS  88   0.745  -2.098   6.853
  693    HE1  HIS  88           1HE      HIS  88   2.059   0.217  10.208
  694    HE2  HIS  88           2HE      HIS  88   2.396  -0.230   7.689
  695    H    ASN  89           H        ASN  89  -4.115  -2.080   8.060
  696    HA   ASN  89           HA       ASN  89  -5.565  -4.487   8.994
  697   1HB   ASN  89          1HB       ASN  89  -6.157  -1.583   9.535
  698   2HB   ASN  89          2HB       ASN  89  -7.115  -2.942  10.089
  699   1HD2  ASN  89          2HD2      ASN  89  -3.634  -2.138  10.050
  700   2HD2  ASN  89          1HD2      ASN  89  -3.361  -2.510  11.737
  701    H    LEU  90           H        LEU  90  -5.250  -2.009   6.627
  702    HA   LEU  90           HA       LEU  90  -7.855  -2.080   5.530
  703   1HB   LEU  90          1HB       LEU  90  -5.206  -1.022   4.715
  704   2HB   LEU  90          2HB       LEU  90  -6.426  -1.228   3.475
  705    HG   LEU  90           HG       LEU  90  -6.561   0.507   5.915
  706   1HD1  LEU  90          1HD1      LEU  90  -5.339   1.372   3.989
  707   2HD1  LEU  90          2HD1      LEU  90  -6.752   1.015   2.938
  708   3HD1  LEU  90          3HD1      LEU  90  -6.881   2.268   4.221
  709   1HD2  LEU  90          1HD2      LEU  90  -8.766  -0.067   3.923
  710   2HD2  LEU  90          2HD2      LEU  90  -8.744  -0.590   5.643
  711   3HD2  LEU  90          3HD2      LEU  90  -8.817   1.159   5.236
  712    HA   PRO  91           HA       PRO  91  -6.087  -5.276   2.565
  713   1HB   PRO  91          1HB       PRO  91  -3.642  -6.410   3.109
  714   2HB   PRO  91          2HB       PRO  91  -3.884  -5.075   2.001
  715   1HG   PRO  91          1HG       PRO  91  -2.715  -5.066   4.675
  716   2HG   PRO  91          2HG       PRO  91  -2.591  -3.862   3.409
  717   1HD   PRO  91          1HD       PRO  91  -4.222  -3.784   5.708
  718   2HD   PRO  91          2HD       PRO  91  -4.166  -2.625   4.395
  719    H    ILE  92           H        ILE  92  -4.970  -5.791   5.939
  720    HA   ILE  92           HA       ILE  92  -5.514  -8.552   6.032
  721    HB   ILE  92           HB       ILE  92  -5.340  -6.350   7.991
  722   1HG1  ILE  92          1HG1      ILE  92  -3.735  -8.614   7.079
  723   2HG1  ILE  92          2HG1      ILE  92  -3.239  -7.034   7.651
  724   1HG2  ILE  92          1HG2      ILE  92  -7.214  -7.646   8.861
  725   2HG2  ILE  92          2HG2      ILE  92  -6.245  -9.153   8.710
  726   3HG2  ILE  92          3HG2      ILE  92  -5.753  -7.882   9.882
  727   1HD1  ILE  92          1HD1      ILE  92  -3.585  -7.742   9.979
  728   2HD1  ILE  92          2HD1      ILE  92  -4.094  -9.363   9.392
  729   3HD1  ILE  92          3HD1      ILE  92  -2.407  -8.801   9.129
  730    H    GLU  93           H        GLU  93  -7.647  -5.769   6.731
  731    HA   GLU  93           HA       GLU  93  -9.911  -7.342   7.431
  732   1HB   GLU  93          1HB       GLU  93  -9.482  -4.532   6.556
  733   2HB   GLU  93          2HB       GLU  93 -11.115  -5.168   6.585
  734   1HG   GLU  93          1HG       GLU  93  -9.824  -5.912   9.019
  735   2HG   GLU  93          2HG       GLU  93  -9.571  -4.196   8.769
  736    H    CYS  94           H        CYS  94  -8.488  -6.584   4.365
  737    HA   CYS  94           HA       CYS  94 -10.832  -7.490   2.897
  738   1HB   CYS  94          1HB       CYS  94  -8.235  -6.271   2.268
  739   2HB   CYS  94          2HB       CYS  94  -8.939  -7.311   1.046
  740    H    ASN  95           H        ASN  95  -8.228  -8.945   4.470
  741    HA   ASN  95           HA       ASN  95  -7.667 -11.143   4.689
  742   1HB   ASN  95          1HB       ASN  95 -10.037 -11.487   3.616
  743   2HB   ASN  95          2HB       ASN  95  -9.104 -11.934   2.202
  744   1HD2  ASN  95          2HD2      ASN  95  -7.030 -13.348   3.046
  745   2HD2  ASN  95          1HD2      ASN  95  -7.528 -14.738   3.983
  746    H    LEU  96           H        LEU  96  -6.346  -9.014   3.048
  747    HA   LEU  96           HA       LEU  96  -5.187 -10.463   0.810
  748   1HB   LEU  96          1HB       LEU  96  -4.340  -7.790   1.832
  749   2HB   LEU  96          2HB       LEU  96  -4.152  -8.448   0.219
  750    HG   LEU  96           HG       LEU  96  -6.740  -7.689   1.501
  751   1HD1  LEU  96          1HD1      LEU  96  -5.411  -5.728   1.093
  752   2HD1  LEU  96          2HD1      LEU  96  -5.129  -6.258  -0.603
  753   3HD1  LEU  96          3HD1      LEU  96  -6.784  -5.805  -0.065
  754   1HD2  LEU  96          1HD2      LEU  96  -6.185  -8.566  -1.328
  755   2HD2  LEU  96          2HD2      LEU  96  -7.080  -9.488  -0.071
  756   3HD2  LEU  96          3HD2      LEU  96  -7.755  -7.948  -0.708
  757    H    MET  97           H        MET  97  -4.019  -8.906   3.804
  758    HA   MET  97           HA       MET  97  -1.894 -10.953   3.891
  759   1HB   MET  97          1HB       MET  97  -0.443  -9.287   4.874
  760   2HB   MET  97          2HB       MET  97  -1.003  -8.796   3.288
  761   1HG   MET  97          1HG       MET  97  -1.925  -6.961   4.103
  762   2HG   MET  97          2HG       MET  97  -2.801  -7.875   5.313
  763   1HE   MET  97          1HE       MET  97   1.023  -8.089   5.063
  764   2HE   MET  97          2HE       MET  97   0.733  -6.444   4.397
  765   3HE   MET  97          3HE       MET  97   1.585  -6.641   5.968
  766    H    SER  98           H        SER  98  -4.581 -10.948   5.135
  767    HA   SER  98           HA       SER  98  -4.820 -10.226   7.714
  768   1HB   SER  98          1HB       SER  98  -6.565 -11.456   6.742
  769   2HB   SER  98          2HB       SER  98  -5.538 -12.856   6.499
  770    HG   SER  98           HG       SER  98  -6.891 -13.072   8.347
  771    H    GLN  99           H        GLN  99  -3.658 -13.544   7.158
  772    HA   GLN  99           HA       GLN  99  -1.258 -13.009   8.713
  773   1HB   GLN  99          1HB       GLN  99  -3.661 -14.220   9.817
  774   2HB   GLN  99          2HB       GLN  99  -2.229 -15.201  10.050
  775   1HG   GLN  99          1HG       GLN  99  -1.293 -13.731  11.486
  776   2HG   GLN  99          2HG       GLN  99  -1.886 -12.338  10.603
  777   1HE2  GLN  99          2HE2      GLN  99  -2.013 -11.892  13.109
  778   2HE2  GLN  99          1HE2      GLN  99  -3.602 -12.150  13.792
  779    HA   PRO 100           HA       PRO 100  -1.218 -16.385   5.512
  780   1HB   PRO 100          1HB       PRO 100   0.254 -15.107   3.551
  781   2HB   PRO 100          2HB       PRO 100  -1.492 -15.254   3.553
  782   1HG   PRO 100          1HG       PRO 100   0.153 -12.900   4.090
  783   2HG   PRO 100          2HG       PRO 100  -1.559 -12.987   3.728
  784   1HD   PRO 100          1HD       PRO 100  -0.338 -12.589   6.263
  785   2HD   PRO 100          2HD       PRO 100  -2.048 -12.727   5.908
  786    H    CYS 101           H        CYS 101   1.515 -14.062   5.399
  787    HA   CYS 101           HA       CYS 101   3.452 -16.139   5.730
  788   1HB   CYS 101          1HB       CYS 101   4.098 -13.315   6.306
  789   2HB   CYS 101          2HB       CYS 101   5.015 -14.518   5.420
  790    H    GLN 102           H        GLN 102   5.248 -15.498   7.535
  791    HA   GLN 102           HA       GLN 102   3.793 -15.368  10.119
  792   1HB   GLN 102          1HB       GLN 102   6.119 -17.127   9.391
  793   2HB   GLN 102          2HB       GLN 102   5.437 -16.980  10.998
  794   1HG   GLN 102          1HG       GLN 102   3.694 -17.707   8.679
  795   2HG   GLN 102          2HG       GLN 102   4.665 -18.933   9.470
  796   1HE2  GLN 102          2HE2      GLN 102   2.231 -19.627   9.622
  797   2HE2  GLN 102          1HE2      GLN 102   1.480 -19.237  11.153
  798    H    MET 103           H        MET 103   5.593 -15.117  11.945
  799    HA   MET 103           HA       MET 103   6.576 -12.573  11.941
  800   1HB   MET 103          1HB       MET 103   7.861 -13.187  13.815
  801   2HB   MET 103          2HB       MET 103   6.478 -14.262  13.809
  802   1HG   MET 103          1HG       MET 103   8.003 -15.917  13.999
  803   2HG   MET 103          2HG       MET 103   8.284 -15.654  12.289
  804   1HE   MET 103          1HE       MET 103   9.790 -15.970  15.641
  805   2HE   MET 103          2HE       MET 103  10.371 -16.985  14.276
  806   3HE   MET 103          3HE       MET 103  11.504 -15.865  15.110
  Start of MODEL   14
    1    HA   PRO   1           HA       PRO   1  13.924 -16.751   7.698
    2   1HB   PRO   1          1HB       PRO   1  15.547 -17.625   9.704
    3   2HB   PRO   1          2HB       PRO   1  13.795 -17.638   9.760
    4   1HG   PRO   1          1HG       PRO   1  15.647 -19.901   9.413
    5   2HG   PRO   1          2HG       PRO   1  13.960 -19.927   9.886
    6   1HD   PRO   1          1HD       PRO   1  15.065 -20.474   7.312
    7   2HD   PRO   1          2HD       PRO   1  13.377 -20.492   7.782
    8    H    TYR   2           H        TYR   2  15.065 -16.427   5.555
    9    HA   TYR   2           HA       TYR   2  17.867 -15.756   6.132
   10   1HB   TYR   2          1HB       TYR   2  16.995 -17.981   4.533
   11   2HB   TYR   2          2HB       TYR   2  17.881 -16.832   3.550
   12    HD1  TYR   2           1HD      TYR   2  20.220 -16.138   4.259
   13    HD2  TYR   2           2HD      TYR   2  18.097 -19.487   5.979
   14    HE1  TYR   2           1HE      TYR   2  22.375 -17.075   5.092
   15    HE2  TYR   2           2HE      TYR   2  20.253 -20.422   6.820
   16    HH   TYR   2           HH       TYR   2  22.467 -20.126   6.942
   17    H    GLY   3           H        GLY   3  18.839 -14.568   4.167
   18   1HA   GLY   3          1HA       GLY   3  17.466 -13.421   2.105
   19   2HA   GLY   3          2HA       GLY   3  17.031 -12.417   3.472
   20    H    ARG   4           H        ARG   4  19.502 -13.319   1.224
   21    HA   ARG   4           HA       ARG   4  21.412 -11.460   2.501
   22   1HB   ARG   4          1HB       ARG   4  21.984 -13.918   1.827
   23   2HB   ARG   4          2HB       ARG   4  22.136 -13.239   0.220
   24   1HG   ARG   4          1HG       ARG   4  23.485 -11.857   2.492
   25   2HG   ARG   4          2HG       ARG   4  24.212 -13.314   1.846
   26   1HD   ARG   4          1HD       ARG   4  24.653 -12.341  -0.215
   27   2HD   ARG   4          2HD       ARG   4  23.397 -11.134  -0.027
   28    HE   ARG   4           HE       ARG   4  24.881  -9.752   1.087
   29   1HH1  ARG   4          1HH2      ARG   4  26.276 -12.952   0.835
   30   2HH1  ARG   4          2HH2      ARG   4  27.829 -12.429   1.447
   31   1HH2  ARG   4          1HH1      ARG   4  26.873  -9.136   1.880
   32   2HH2  ARG   4          2HH1      ARG   4  28.159 -10.312   2.027
   33    H    GLY   5           H        GLY   5  20.909  -9.432   1.849
   34   1HA   GLY   5          1HA       GLY   5  20.734  -7.667   0.386
   35   2HA   GLY   5          2HA       GLY   5  21.481  -8.680  -0.833
   36    H    ARG   6           H        ARG   6  19.856  -7.126  -1.983
   37    HA   ARG   6           HA       ARG   6  17.165  -8.311  -2.087
   38   1HB   ARG   6          1HB       ARG   6  18.360  -5.740  -2.737
   39   2HB   ARG   6          2HB       ARG   6  17.262  -6.318  -3.972
   40   1HG   ARG   6          1HG       ARG   6  16.368  -6.537  -1.150
   41   2HG   ARG   6          2HG       ARG   6  16.405  -4.935  -1.857
   42   1HD   ARG   6          1HD       ARG   6  14.284  -5.557  -2.469
   43   2HD   ARG   6          2HD       ARG   6  15.169  -6.179  -3.847
   44    HE   ARG   6           HE       ARG   6  15.153  -8.271  -2.044
   45   1HH1  ARG   6          1HH2      ARG   6  12.677  -6.364  -3.624
   46   2HH1  ARG   6          2HH2      ARG   6  11.502  -7.658  -3.561
   47   1HH2  ARG   6          1HH1      ARG   6  13.620  -9.887  -1.968
   48   2HH2  ARG   6          2HH1      ARG   6  12.028  -9.619  -2.639
   49    H    THR   7           H        THR   7  16.212  -8.401  -4.339
   50    HA   THR   7           HA       THR   7  18.117  -9.555  -6.272
   51    HB   THR   7           HB       THR   7  16.641 -11.536  -6.534
   52    HG1  THR   7           1HG      THR   7  15.084 -11.849  -4.855
   53   1HG2  THR   7          1HG2      THR   7  18.594 -11.681  -4.974
   54   2HG2  THR   7          2HG2      THR   7  17.531 -11.088  -3.651
   55   3HG2  THR   7          3HG2      THR   7  17.205 -12.679  -4.421
   56    H    GLU   8           H        GLU   8  16.241 -10.490  -8.093
   57    HA   GLU   8           HA       GLU   8  15.541  -8.151  -9.483
   58   1HB   GLU   8          1HB       GLU   8  14.432 -10.939  -9.765
   59   2HB   GLU   8          2HB       GLU   8  14.226  -9.653 -10.937
   60   1HG   GLU   8          1HG       GLU   8  16.990 -10.381 -10.087
   61   2HG   GLU   8          2HG       GLU   8  16.153 -11.430 -11.213
   62    H    SER   9           H        SER   9  13.080  -8.074 -10.373
   63    HA   SER   9           HA       SER   9  11.484  -7.473  -7.977
   64   1HB   SER   9          1HB       SER   9  11.807  -6.297 -10.579
   65   2HB   SER   9          2HB       SER   9  10.115  -6.613 -10.244
   66    HG   SER   9           HG       SER   9  10.797  -4.565  -9.448
   67    H    GLY  10           H        GLY  10   8.953  -7.632  -8.657
   68   1HA   GLY  10          1HA       GLY  10   8.070  -9.745 -10.268
   69   2HA   GLY  10          2HA       GLY  10   8.322 -10.403  -8.664
   70    H    CYS  11           H        CYS  11   7.071  -9.698  -6.922
   71    HA   CYS  11           HA       CYS  11   4.397  -9.075  -7.556
   72   1HB   CYS  11          1HB       CYS  11   5.571  -8.471  -4.899
   73   2HB   CYS  11          2HB       CYS  11   3.969  -9.058  -5.294
   74    H    TYR  12           H        TYR  12   6.960  -7.045  -6.091
   75    HA   TYR  12           HA       TYR  12   5.748  -4.615  -5.898
   76   1HB   TYR  12          1HB       TYR  12   8.127  -5.339  -5.479
   77   2HB   TYR  12          2HB       TYR  12   8.415  -5.063  -7.185
   78    HD1  TYR  12           1HD      TYR  12   7.476  -2.604  -7.989
   79    HD2  TYR  12           2HD      TYR  12   8.916  -3.707  -4.093
   80    HE1  TYR  12           1HE      TYR  12   7.902  -0.214  -7.487
   81    HE2  TYR  12           2HE      TYR  12   9.349  -1.309  -3.575
   82    HH   TYR  12           HH       TYR  12   9.273   0.770  -4.327
   83    H    GLN  13           H        GLN  13   6.953  -6.107  -8.898
   84    HA   GLN  13           HA       GLN  13   6.299  -3.893 -10.559
   85   1HB   GLN  13          1HB       GLN  13   7.780  -6.097 -10.890
   86   2HB   GLN  13          2HB       GLN  13   6.314  -6.616 -11.698
   87   1HG   GLN  13          1HG       GLN  13   7.491  -5.577 -13.425
   88   2HG   GLN  13          2HG       GLN  13   6.434  -4.296 -12.868
   89   1HE2  GLN  13          2HE2      GLN  13   7.302  -2.475 -11.853
   90   2HE2  GLN  13          1HE2      GLN  13   9.024  -2.214 -11.692
   91    H    GLN  14           H        GLN  14   4.527  -6.878  -9.733
   92    HA   GLN  14           HA       GLN  14   2.279  -6.235 -11.363
   93   1HB   GLN  14          1HB       GLN  14   1.511  -8.245 -10.731
   94   2HB   GLN  14          2HB       GLN  14   3.158  -8.457 -10.171
   95   1HG   GLN  14          1HG       GLN  14   2.206  -7.394  -7.984
   96   2HG   GLN  14          2HG       GLN  14   0.680  -7.968  -8.625
   97   1HE2  GLN  14          2HE2      GLN  14   2.279  -8.771  -6.199
   98   2HE2  GLN  14          1HE2      GLN  14   2.519 -10.494  -6.380
   99    H    MET  15           H        MET  15   3.337  -5.015  -8.355
  100    HA   MET  15           HA       MET  15   0.784  -4.441  -7.214
  101   1HB   MET  15          1HB       MET  15   3.542  -3.392  -6.624
  102   2HB   MET  15          2HB       MET  15   2.120  -3.032  -5.668
  103   1HG   MET  15          1HG       MET  15   2.093  -5.787  -5.864
  104   2HG   MET  15          2HG       MET  15   3.791  -5.402  -5.667
  105   1HE   MET  15          1HE       MET  15   4.892  -5.113  -3.642
  106   2HE   MET  15          2HE       MET  15   4.509  -3.396  -4.012
  107   3HE   MET  15          3HE       MET  15   4.309  -4.020  -2.338
  108    H    GLU  16           H        GLU  16   3.361  -2.440  -8.646
  109    HA   GLU  16           HA       GLU  16   1.801  -0.056  -8.627
  110   1HB   GLU  16          1HB       GLU  16   4.009  -0.548 -10.578
  111   2HB   GLU  16          2HB       GLU  16   3.574   0.940  -9.760
  112   1HG   GLU  16          1HG       GLU  16   4.197  -0.735  -7.674
  113   2HG   GLU  16          2HG       GLU  16   5.355  -1.203  -8.903
  114    H    GLU  17           H        GLU  17   2.551  -2.474 -11.133
  115    HA   GLU  17           HA       GLU  17   1.096  -1.274 -13.227
  116   1HB   GLU  17          1HB       GLU  17   2.672  -3.357 -13.191
  117   2HB   GLU  17          2HB       GLU  17   1.176  -4.236 -12.947
  118   1HG   GLU  17          1HG       GLU  17   0.797  -2.320 -15.036
  119   2HG   GLU  17          2HG       GLU  17   2.234  -3.262 -15.382
  120    H    ALA  18           H        ALA  18  -0.004  -2.932 -10.410
  121    HA   ALA  18           HA       ALA  18  -2.763  -2.704 -11.409
  122   1HB   ALA  18          1HB       ALA  18  -2.110  -5.048 -11.273
  123   2HB   ALA  18          2HB       ALA  18  -1.586  -4.804  -9.570
  124   3HB   ALA  18          3HB       ALA  18  -3.324  -4.656 -10.006
  125    H    GLU  19           H        GLU  19  -1.316  -0.628 -10.101
  126    HA   GLU  19           HA       GLU  19  -1.266  -0.109  -7.553
  127   1HB   GLU  19          1HB       GLU  19  -2.715   2.065  -8.233
  128   2HB   GLU  19          2HB       GLU  19  -1.007   1.857  -8.564
  129   1HG   GLU  19          1HG       GLU  19  -1.345   1.462 -10.800
  130   2HG   GLU  19          2HG       GLU  19  -2.966   0.842 -10.556
  131    H    MET  20           H        MET  20  -2.391  -1.379  -6.180
  132    HA   MET  20           HA       MET  20  -5.351  -1.243  -6.358
  133   1HB   MET  20          1HB       MET  20  -5.323  -3.343  -5.018
  134   2HB   MET  20          2HB       MET  20  -4.609  -3.525  -6.608
  135   1HG   MET  20          1HG       MET  20  -2.781  -2.796  -4.425
  136   2HG   MET  20          2HG       MET  20  -3.456  -4.413  -4.371
  137   1HE   MET  20          1HE       MET  20  -0.620  -2.390  -5.342
  138   2HE   MET  20          2HE       MET  20  -0.418  -3.940  -4.453
  139   3HE   MET  20          3HE       MET  20   0.331  -3.728  -6.075
  140    H    LEU  21           H        LEU  21  -2.474  -0.834  -4.419
  141    HA   LEU  21           HA       LEU  21  -4.085  -0.083  -2.093
  142   1HB   LEU  21          1HB       LEU  21  -1.309  -0.987  -2.547
  143   2HB   LEU  21          2HB       LEU  21  -1.639   0.031  -1.160
  144    HG   LEU  21           HG       LEU  21  -1.627  -2.338  -0.610
  145   1HD1  LEU  21          1HD1      LEU  21  -2.978  -0.883   0.801
  146   2HD1  LEU  21          2HD1      LEU  21  -4.375  -1.102  -0.310
  147   3HD1  LEU  21          3HD1      LEU  21  -3.744  -2.500   0.629
  148   1HD2  LEU  21          1HD2      LEU  21  -3.981  -2.522  -2.459
  149   2HD2  LEU  21          2HD2      LEU  21  -2.356  -3.256  -2.694
  150   3HD2  LEU  21          3HD2      LEU  21  -3.411  -3.816  -1.350
  151    H    ASN  22           H        ASN  22  -3.437   1.360  -4.784
  152    HA   ASN  22           HA       ASN  22  -2.268   3.838  -3.769
  153   1HB   ASN  22          1HB       ASN  22  -1.659   4.018  -5.899
  154   2HB   ASN  22          2HB       ASN  22  -2.553   2.562  -6.285
  155   1HD2  ASN  22          2HD2      ASN  22  -4.492   2.661  -7.289
  156   2HD2  ASN  22          1HD2      ASN  22  -5.265   4.146  -7.795
  157    H    HIS  23           H        HIS  23  -5.382   2.381  -4.454
  158    HA   HIS  23           HA       HIS  23  -6.788   4.914  -4.480
  159   1HB   HIS  23          1HB       HIS  23  -7.555   2.040  -4.679
  160   2HB   HIS  23          2HB       HIS  23  -8.781   3.244  -4.335
  161    HD1  HIS  23           1HD      HIS  23  -9.555   4.774  -6.335
  162    HD2  HIS  23           2HD      HIS  23  -6.391   2.111  -7.164
  163    HE1  HIS  23           1HE      HIS  23  -9.191   4.847  -8.883
  164    HE2  HIS  23           2HE      HIS  23  -7.196   3.290  -9.376
  165    H    CYS  24           H        CYS  24  -6.839   2.019  -2.350
  166    HA   CYS  24           HA       CYS  24  -8.184   3.280  -0.227
  167   1HB   CYS  24          1HB       CYS  24  -6.543   0.862  -0.550
  168   2HB   CYS  24          2HB       CYS  24  -6.634   1.498   1.080
  169    H    GLY  25           H        GLY  25  -4.884   3.585  -1.302
  170   1HA   GLY  25          1HA       GLY  25  -3.726   4.616   1.053
  171   2HA   GLY  25          2HA       GLY  25  -3.155   4.842  -0.588
  172    H    MET  26           H        MET  26  -5.067   6.320  -1.814
  173    HA   MET  26           HA       MET  26  -4.629   8.941  -1.019
  174   1HB   MET  26          1HB       MET  26  -6.891   7.641  -2.502
  175   2HB   MET  26          2HB       MET  26  -6.811   9.376  -2.276
  176   1HG   MET  26          1HG       MET  26  -4.609   9.389  -3.376
  177   2HG   MET  26          2HG       MET  26  -4.764   7.667  -3.660
  178   1HE   MET  26          1HE       MET  26  -5.493  11.205  -4.760
  179   2HE   MET  26          2HE       MET  26  -4.306  10.235  -5.702
  180   3HE   MET  26          3HE       MET  26  -5.809  10.830  -6.490
  181    H    TYR  27           H        TYR  27  -7.333   6.795  -0.117
  182    HA   TYR  27           HA       TYR  27  -8.879   8.570   1.374
  183   1HB   TYR  27          1HB       TYR  27  -9.440   6.278   0.724
  184   2HB   TYR  27          2HB       TYR  27  -8.266   5.676   1.877
  185    HD1  TYR  27           1HD      TYR  27  -8.681   5.791   4.303
  186    HD2  TYR  27           2HD      TYR  27 -11.595   7.080   1.393
  187    HE1  TYR  27           1HE      TYR  27 -10.437   5.782   6.075
  188    HE2  TYR  27           2HE      TYR  27 -13.361   7.048   3.153
  189    HH   TYR  27           HH       TYR  27 -13.818   6.683   5.270
  190    H    LEU  28           H        LEU  28  -5.975   6.823   2.307
  191    HA   LEU  28           HA       LEU  28  -6.108   7.771   5.053
  192   1HB   LEU  28          1HB       LEU  28  -3.784   6.312   3.953
  193   2HB   LEU  28          2HB       LEU  28  -4.495   6.241   5.552
  194    HG   LEU  28           HG       LEU  28  -6.126   5.206   3.347
  195   1HD1  LEU  28          1HD1      LEU  28  -3.978   4.330   2.648
  196   2HD1  LEU  28          2HD1      LEU  28  -3.691   3.691   4.303
  197   3HD1  LEU  28          3HD1      LEU  28  -5.016   3.012   3.294
  198   1HD2  LEU  28          1HD2      LEU  28  -5.542   4.227   6.125
  199   2HD2  LEU  28          2HD2      LEU  28  -6.972   5.175   5.586
  200   3HD2  LEU  28          3HD2      LEU  28  -6.723   3.500   4.983
  201    H    MET  29           H        MET  29  -4.563   8.531   2.045
  202    HA   MET  29           HA       MET  29  -2.689  10.404   3.206
  203   1HB   MET  29          1HB       MET  29  -2.625   8.827   0.983
  204   2HB   MET  29          2HB       MET  29  -2.971  10.414   0.325
  205   1HG   MET  29          1HG       MET  29  -0.907  10.419   2.384
  206   2HG   MET  29          2HG       MET  29  -0.487   9.477   0.968
  207   1HE   MET  29          1HE       MET  29  -1.087  12.883   2.545
  208   2HE   MET  29          2HE       MET  29   0.614  12.319   2.401
  209   3HE   MET  29          3HE       MET  29   0.077  13.790   1.518
  210    H    LYS  30           H        LYS  30  -5.850  10.588   2.904
  211    HA   LYS  30           HA       LYS  30  -6.096  13.081   1.448
  212   1HB   LYS  30          1HB       LYS  30  -7.836  11.000   2.361
  213   2HB   LYS  30          2HB       LYS  30  -8.430  12.543   2.940
  214   1HG   LYS  30          1HG       LYS  30  -7.541  12.291   0.091
  215   2HG   LYS  30          2HG       LYS  30  -9.124  11.696   0.549
  216   1HD   LYS  30          1HD       LYS  30  -8.850  14.254   1.724
  217   2HD   LYS  30          2HD       LYS  30  -8.299  14.403   0.067
  218   1HE   LYS  30          1HE       LYS  30 -10.382  14.127  -0.768
  219   2HE   LYS  30          2HE       LYS  30 -10.752  12.828   0.348
  220   1HZ   LYS  30          1HZ       LYS  30 -11.152  14.459   2.039
  221   2HZ   LYS  30          2HZ       LYS  30 -10.803  15.687   0.983
  222   3HZ   LYS  30          3HZ       LYS  30 -12.130  14.730   0.730
  223    H    ASN  31           H        ASN  31  -5.693  11.968   4.731
  224    HA   ASN  31           HA       ASN  31  -5.956  14.728   5.737
  225   1HB   ASN  31          1HB       ASN  31  -6.949  12.583   6.829
  226   2HB   ASN  31          2HB       ASN  31  -5.314  12.336   7.407
  227   1HD2  ASN  31          2HD2      ASN  31  -4.769  13.276   9.284
  228   2HD2  ASN  31          1HD2      ASN  31  -5.624  14.615  10.019
  229    H    LEU  32           H        LEU  32  -3.601  12.654   4.503
  230    HA   LEU  32           HA       LEU  32  -1.459  13.653   6.205
  231   1HB   LEU  32          1HB       LEU  32  -1.481  11.840   3.825
  232   2HB   LEU  32          2HB       LEU  32  -0.047  12.249   4.746
  233    HG   LEU  32           HG       LEU  32  -2.442  10.956   5.974
  234   1HD1  LEU  32          1HD1      LEU  32  -1.631   9.502   4.187
  235   2HD1  LEU  32          2HD1      LEU  32   0.036   9.635   4.845
  236   3HD1  LEU  32          3HD1      LEU  32  -1.245   8.815   5.803
  237   1HD2  LEU  32          1HD2      LEU  32   0.450  11.221   6.824
  238   2HD2  LEU  32          2HD2      LEU  32  -0.946  12.128   7.500
  239   3HD2  LEU  32          3HD2      LEU  32  -0.831  10.350   7.735
  240    H    GLY  33           H        GLY  33  -3.150  14.759   3.496
  241   1HA   GLY  33          1HA       GLY  33  -2.707  16.956   2.657
  242   2HA   GLY  33          2HA       GLY  33  -0.990  16.663   2.842
  243    H    GLU  34           H        GLU  34  -3.673  16.530   0.732
  244    HA   GLU  34           HA       GLU  34  -1.939  15.326  -1.349
  245   1HB   GLU  34          1HB       GLU  34  -3.725  13.743  -0.453
  246   2HB   GLU  34          2HB       GLU  34  -4.884  14.792  -1.243
  247   1HG   GLU  34          1HG       GLU  34  -3.658  14.480  -3.383
  248   2HG   GLU  34          2HG       GLU  34  -2.579  13.361  -2.575
  249    H    ARG  35           H        ARG  35  -1.649  17.825  -1.340
  250    HA   ARG  35           HA       ARG  35  -3.756  19.318  -2.617
  251   1HB   ARG  35          1HB       ARG  35  -1.965  21.027  -2.932
  252   2HB   ARG  35          2HB       ARG  35  -2.195  20.511  -1.274
  253   1HG   ARG  35          1HG       ARG  35  -0.185  19.360  -1.209
  254   2HG   ARG  35          2HG       ARG  35  -0.159  19.101  -2.942
  255   1HD   ARG  35          1HD       ARG  35   1.202  20.853  -3.152
  256   2HD   ARG  35          2HD       ARG  35  -0.076  21.887  -2.546
  257    HE   ARG  35           HE       ARG  35   1.115  20.720  -0.308
  258   1HH1  ARG  35          1HH2      ARG  35   2.084  22.883  -2.871
  259   2HH1  ARG  35          2HH2      ARG  35   3.296  23.669  -1.884
  260   1HH2  ARG  35          1HH1      ARG  35   2.675  21.740   0.919
  261   2HH2  ARG  35          2HH1      ARG  35   3.625  23.034   0.222
  262    H    SER  36           H        SER  36  -3.418  20.456  -4.713
  263    HA   SER  36           HA       SER  36  -1.679  19.635  -6.713
  264   1HB   SER  36          1HB       SER  36  -3.129  18.162  -8.099
  265   2HB   SER  36          2HB       SER  36  -2.543  17.402  -6.633
  266    HG   SER  36           HG       SER  36  -4.771  17.008  -6.994
  267    H    GLN  37           H        GLN  37  -1.723  21.428  -7.880
  268    HA   GLN  37           HA       GLN  37  -4.269  22.851  -8.198
  269   1HB   GLN  37          1HB       GLN  37  -2.985  24.705  -8.911
  270   2HB   GLN  37          2HB       GLN  37  -2.174  24.019  -7.519
  271   1HG   GLN  37          1HG       GLN  37  -0.817  22.696  -9.312
  272   2HG   GLN  37          2HG       GLN  37  -1.364  23.964 -10.390
  273   1HE2  GLN  37          2HE2      GLN  37   1.330  23.280  -9.587
  274   2HE2  GLN  37          1HE2      GLN  37   1.982  24.696  -8.794
  275    H    VAL  38           H        VAL  38  -5.557  22.216  -9.795
  276    HA   VAL  38           HA       VAL  38  -4.727  22.392 -12.503
  277    HB   VAL  38           HB       VAL  38  -3.606  20.261 -11.871
  278   1HG1  VAL  38          1HG1      VAL  38  -5.191  19.365 -10.280
  279   2HG1  VAL  38          2HG1      VAL  38  -6.418  19.202 -11.585
  280   3HG1  VAL  38          3HG1      VAL  38  -4.922  18.207 -11.629
  281   1HG2  VAL  38          1HG2      VAL  38  -5.734  20.098 -14.000
  282   2HG2  VAL  38          2HG2      VAL  38  -4.075  20.767 -14.177
  283   3HG2  VAL  38          3HG2      VAL  38  -4.309  19.012 -13.864
  284    H    SER  39           H        SER  39  -6.483  22.332 -13.897
  285    HA   SER  39           HA       SER  39  -8.906  23.193 -13.050
  286   1HB   SER  39          1HB       SER  39  -7.903  22.559 -15.472
  287   2HB   SER  39          2HB       SER  39  -9.128  21.321 -15.289
  288    HG   SER  39           HG       SER  39  -9.970  23.254 -16.217
  289    HA   PRO  40           HA       PRO  40 -10.371  19.654 -10.839
  290   1HB   PRO  40          1HB       PRO  40 -12.550  20.901  -9.681
  291   2HB   PRO  40          2HB       PRO  40 -10.929  20.888  -9.015
  292   1HG   PRO  40          1HG       PRO  40 -12.366  23.090 -10.340
  293   2HG   PRO  40          2HG       PRO  40 -10.958  23.164  -9.300
  294   1HD   PRO  40          1HD       PRO  40 -11.003  23.368 -12.128
  295   2HD   PRO  40          2HD       PRO  40  -9.587  23.292 -11.100
  296    H    ARG  41           H        ARG  41 -10.778  19.360 -13.420
  297    HA   ARG  41           HA       ARG  41 -13.408  18.233 -13.590
  298   1HB   ARG  41          1HB       ARG  41 -13.556  20.786 -14.155
  299   2HB   ARG  41          2HB       ARG  41 -12.886  20.280 -15.693
  300   1HG   ARG  41          1HG       ARG  41 -14.994  18.488 -14.863
  301   2HG   ARG  41          2HG       ARG  41 -15.573  20.140 -14.901
  302   1HD   ARG  41          1HD       ARG  41 -13.960  19.556 -17.225
  303   2HD   ARG  41          2HD       ARG  41 -15.286  18.421 -17.079
  304    HE   ARG  41           HE       ARG  41 -16.526  20.803 -16.669
  305   1HH1  ARG  41          1HH2      ARG  41 -14.394  19.701 -19.212
  306   2HH1  ARG  41          2HH2      ARG  41 -15.118  20.757 -20.405
  307   1HH2  ARG  41          1HH1      ARG  41 -17.418  22.133 -18.224
  308   2HH2  ARG  41          2HH1      ARG  41 -16.793  22.103 -19.857
  309    H    MET  42           H        MET  42 -12.223  16.330 -13.919
  310    HA   MET  42           HA       MET  42 -11.293  16.050 -16.690
  311   1HB   MET  42          1HB       MET  42  -9.503  14.976 -14.568
  312   2HB   MET  42          2HB       MET  42  -9.136  15.371 -16.235
  313   1HG   MET  42          1HG       MET  42  -9.454  17.790 -15.601
  314   2HG   MET  42          2HG       MET  42  -9.482  17.257 -13.932
  315   1HE   MET  42          1HE       MET  42  -7.569  16.233 -12.631
  316   2HE   MET  42          2HE       MET  42  -7.501  14.914 -13.851
  317   3HE   MET  42          3HE       MET  42  -5.994  15.760 -13.356
  318    H    ARG  43           H        ARG  43 -11.050  14.206 -13.653
  319    HA   ARG  43           HA       ARG  43 -13.062  12.307 -14.553
  320   1HB   ARG  43          1HB       ARG  43 -11.647  10.388 -14.562
  321   2HB   ARG  43          2HB       ARG  43 -10.900  11.576 -15.610
  322   1HG   ARG  43          1HG       ARG  43  -9.633  12.244 -13.385
  323   2HG   ARG  43          2HG       ARG  43 -10.021  10.595 -12.936
  324   1HD   ARG  43          1HD       ARG  43  -8.903  10.928 -15.630
  325   2HD   ARG  43          2HD       ARG  43  -7.809  11.309 -14.316
  326    HE   ARG  43           HE       ARG  43  -9.140   8.826 -13.832
  327   1HH1  ARG  43          1HH2      ARG  43  -6.570  10.206 -15.765
  328   2HH1  ARG  43          2HH2      ARG  43  -5.714   8.685 -15.886
  329   1HH2  ARG  43          1HH1      ARG  43  -8.010   6.912 -14.004
  330   2HH2  ARG  43          2HH1      ARG  43  -6.514   6.858 -14.909
  331    H    GLU  44           H        GLU  44 -13.960  11.153 -12.897
  332    HA   GLU  44           HA       GLU  44 -12.790  11.548 -10.216
  333   1HB   GLU  44          1HB       GLU  44 -15.001  11.972  -9.287
  334   2HB   GLU  44          2HB       GLU  44 -14.539  13.199 -10.450
  335   1HG   GLU  44          1HG       GLU  44 -15.994  11.010 -11.693
  336   2HG   GLU  44          2HG       GLU  44 -16.923  11.782 -10.424
  337    H    GLU  45           H        GLU  45 -12.799   9.804  -8.907
  338    HA   GLU  45           HA       GLU  45 -14.618   7.591  -9.512
  339   1HB   GLU  45          1HB       GLU  45 -11.896   7.590 -10.426
  340   2HB   GLU  45          2HB       GLU  45 -12.128   6.323  -9.238
  341   1HG   GLU  45          1HG       GLU  45 -13.943   6.746 -11.604
  342   2HG   GLU  45          2HG       GLU  45 -12.595   5.626 -11.603
  343    H    ASP  46           H        ASP  46 -15.522   8.031  -7.525
  344    HA   ASP  46           HA       ASP  46 -14.315   8.307  -5.087
  345   1HB   ASP  46          1HB       ASP  46 -16.250   6.829  -4.215
  346   2HB   ASP  46          2HB       ASP  46 -16.581   8.401  -4.913
  347    H    HIS  47           H        HIS  47 -13.644   6.962  -3.375
  348    HA   HIS  47           HA       HIS  47 -12.593   4.363  -4.359
  349   1HB   HIS  47          1HB       HIS  47 -11.674   5.868  -1.929
  350   2HB   HIS  47          2HB       HIS  47 -10.873   4.530  -2.728
  351    HD1  HIS  47           1HD      HIS  47 -12.135   7.887  -4.183
  352    HD2  HIS  47           2HD      HIS  47  -8.689   5.532  -3.811
  353    HE1  HIS  47           1HE      HIS  47 -10.332   9.050  -5.574
  354    HE2  HIS  47           2HE      HIS  47  -8.203   7.630  -5.301
  355    H    LYS  48           H        LYS  48 -12.436   2.682  -2.568
  356    HA   LYS  48           HA       LYS  48 -13.858   2.525  -0.266
  357   1HB   LYS  48          1HB       LYS  48 -15.721   2.705  -2.497
  358   2HB   LYS  48          2HB       LYS  48 -15.985   1.285  -1.505
  359   1HG   LYS  48          1HG       LYS  48 -15.474   3.760   0.015
  360   2HG   LYS  48          2HG       LYS  48 -16.962   3.771  -0.909
  361   1HD   LYS  48          1HD       LYS  48 -16.971   1.266   0.236
  362   2HD   LYS  48          2HD       LYS  48 -16.286   2.270   1.498
  363   1HE   LYS  48          1HE       LYS  48 -18.634   3.399   0.119
  364   2HE   LYS  48          2HE       LYS  48 -18.948   1.980   1.096
  365   1HZ   LYS  48          1HZ       LYS  48 -17.911   3.077   2.939
  366   2HZ   LYS  48          2HZ       LYS  48 -17.614   4.419   2.015
  367   3HZ   LYS  48          3HZ       LYS  48 -19.173   3.982   2.363
  368    H    GLN  49           H        GLN  49 -14.375   0.574  -3.183
  369    HA   GLN  49           HA       GLN  49 -12.793  -1.584  -1.917
  370   1HB   GLN  49          1HB       GLN  49 -15.517  -1.611  -2.856
  371   2HB   GLN  49          2HB       GLN  49 -14.546  -2.810  -3.686
  372   1HG   GLN  49          1HG       GLN  49 -13.817  -3.745  -1.566
  373   2HG   GLN  49          2HG       GLN  49 -14.660  -2.486  -0.687
  374   1HE2  GLN  49          2HE2      GLN  49 -15.172  -5.150  -3.001
  375   2HE2  GLN  49          1HE2      GLN  49 -16.794  -5.534  -2.471
  376    H    LEU  50           H        LEU  50 -12.414   0.692  -4.072
  377    HA   LEU  50           HA       LEU  50 -11.731  -0.732  -6.453
  378   1HB   LEU  50          1HB       LEU  50 -11.347   1.995  -5.361
  379   2HB   LEU  50          2HB       LEU  50 -10.303   1.499  -6.677
  380    HG   LEU  50           HG       LEU  50 -13.291   1.219  -6.850
  381   1HD1  LEU  50          1HD1      LEU  50 -12.800   3.558  -6.317
  382   2HD1  LEU  50          2HD1      LEU  50 -11.593   3.602  -7.648
  383   3HD1  LEU  50          3HD1      LEU  50 -13.339   3.391  -8.024
  384   1HD2  LEU  50          1HD2      LEU  50 -11.117   1.468  -8.959
  385   2HD2  LEU  50          2HD2      LEU  50 -11.957  -0.051  -8.487
  386   3HD2  LEU  50          3HD2      LEU  50 -12.875   1.276  -9.281
  387    H    CYS  51           H        CYS  51 -10.206  -0.390  -3.385
  388    HA   CYS  51           HA       CYS  51  -7.580  -1.129  -4.388
  389   1HB   CYS  51          1HB       CYS  51  -6.864  -0.940  -2.136
  390   2HB   CYS  51          2HB       CYS  51  -7.854   0.450  -2.531
  391    H    CYS  52           H        CYS  52 -10.095  -2.544  -2.254
  392    HA   CYS  52           HA       CYS  52  -8.882  -5.087  -2.069
  393   1HB   CYS  52          1HB       CYS  52 -10.797  -4.039  -0.704
  394   2HB   CYS  52          2HB       CYS  52 -11.827  -4.713  -1.952
  395    H    MET  53           H        MET  53 -10.342  -3.531  -4.702
  396    HA   MET  53           HA       MET  53 -11.423  -5.754  -6.095
  397   1HB   MET  53          1HB       MET  53 -12.096  -3.498  -6.629
  398   2HB   MET  53          2HB       MET  53 -10.446  -3.063  -7.022
  399   1HG   MET  53          1HG       MET  53 -11.262  -5.400  -8.494
  400   2HG   MET  53          2HG       MET  53 -12.378  -4.077  -8.768
  401   1HE   MET  53          1HE       MET  53  -9.631  -5.817 -10.269
  402   2HE   MET  53          2HE       MET  53 -10.993  -5.153 -11.238
  403   3HE   MET  53          3HE       MET  53  -9.308  -4.617 -11.568
  404    H    GLN  54           H        GLN  54  -8.643  -3.799  -7.188
  405    HA   GLN  54           HA       GLN  54  -7.546  -5.917  -8.728
  406   1HB   GLN  54          1HB       GLN  54  -6.713  -3.218  -7.886
  407   2HB   GLN  54          2HB       GLN  54  -5.425  -4.316  -8.341
  408   1HG   GLN  54          1HG       GLN  54  -5.945  -4.196 -10.521
  409   2HG   GLN  54          2HG       GLN  54  -7.664  -4.327 -10.208
  410   1HE2  GLN  54          2HE2      GLN  54  -8.215  -2.120  -8.654
  411   2HE2  GLN  54          1HE2      GLN  54  -7.870  -0.666  -9.561
  412    H    LEU  55           H        LEU  55  -7.447  -5.272  -5.347
  413    HA   LEU  55           HA       LEU  55  -5.024  -6.583  -4.708
  414   1HB   LEU  55          1HB       LEU  55  -7.455  -5.704  -3.337
  415   2HB   LEU  55          2HB       LEU  55  -6.598  -7.029  -2.575
  416    HG   LEU  55           HG       LEU  55  -5.224  -4.508  -3.380
  417   1HD1  LEU  55          1HD1      LEU  55  -7.026  -3.806  -1.888
  418   2HD1  LEU  55          2HD1      LEU  55  -6.524  -5.052  -0.692
  419   3HD1  LEU  55          3HD1      LEU  55  -5.434  -3.672  -1.064
  420   1HD2  LEU  55          1HD2      LEU  55  -4.524  -6.689  -1.393
  421   2HD2  LEU  55          2HD2      LEU  55  -3.773  -6.425  -3.004
  422   3HD2  LEU  55          3HD2      LEU  55  -3.548  -5.211  -1.697
  423    H    LYS  56           H        LYS  56  -8.329  -7.806  -5.290
  424    HA   LYS  56           HA       LYS  56  -7.624 -10.518  -4.655
  425   1HB   LYS  56          1HB       LYS  56  -9.894  -9.754  -4.491
  426   2HB   LYS  56          2HB       LYS  56  -9.919  -9.347  -6.196
  427   1HG   LYS  56          1HG       LYS  56 -10.306 -11.482  -6.818
  428   2HG   LYS  56          2HG       LYS  56  -9.151 -12.121  -5.666
  429   1HD   LYS  56          1HD       LYS  56 -10.725 -12.264  -3.972
  430   2HD   LYS  56          2HD       LYS  56 -11.775 -11.073  -4.712
  431   1HE   LYS  56          1HE       LYS  56 -11.863 -12.897  -6.646
  432   2HE   LYS  56          2HE       LYS  56 -11.488 -13.972  -5.315
  433   1HZ   LYS  56          1HZ       LYS  56 -13.373 -13.099  -4.143
  434   2HZ   LYS  56          2HZ       LYS  56 -13.727 -12.083  -5.402
  435   3HZ   LYS  56          3HZ       LYS  56 -13.841 -13.723  -5.604
  436    H    ASN  57           H        ASN  57  -6.696  -8.548  -7.209
  437    HA   ASN  57           HA       ASN  57  -6.355 -10.768  -9.092
  438   1HB   ASN  57          1HB       ASN  57  -6.430  -7.882  -9.189
  439   2HB   ASN  57          2HB       ASN  57  -5.020  -8.508 -10.021
  440   1HD2  ASN  57          2HD2      ASN  57  -8.258  -7.757 -10.284
  441   2HD2  ASN  57          1HD2      ASN  57  -8.635  -8.677 -11.724
  442    H    LEU  58           H        LEU  58  -4.605  -9.190  -6.571
  443    HA   LEU  58           HA       LEU  58  -1.975  -9.669  -7.537
  444   1HB   LEU  58          1HB       LEU  58  -3.255  -8.721  -5.097
  445   2HB   LEU  58          2HB       LEU  58  -1.760  -9.589  -4.813
  446    HG   LEU  58           HG       LEU  58  -1.958  -7.324  -6.775
  447   1HD1  LEU  58          1HD1      LEU  58  -2.578  -6.527  -4.510
  448   2HD1  LEU  58          2HD1      LEU  58  -1.083  -7.287  -3.863
  449   3HD1  LEU  58          3HD1      LEU  58  -0.966  -5.910  -5.014
  450   1HD2  LEU  58          1HD2      LEU  58   0.340  -8.607  -5.276
  451   2HD2  LEU  58          2HD2      LEU  58  -0.057  -8.876  -7.009
  452   3HD2  LEU  58          3HD2      LEU  58   0.468  -7.251  -6.450
  453    H    ASP  59           H        ASP  59  -0.590 -11.007  -5.660
  454    HA   ASP  59           HA       ASP  59  -1.543 -13.773  -6.063
  455   1HB   ASP  59          1HB       ASP  59   1.000 -12.445  -6.095
  456   2HB   ASP  59          2HB       ASP  59   1.012 -13.714  -4.886
  457    H    GLU  60           H        GLU  60  -2.020 -15.123  -4.356
  458    HA   GLU  60           HA       GLU  60  -2.575 -13.955  -1.812
  459   1HB   GLU  60          1HB       GLU  60  -3.124 -16.378  -3.135
  460   2HB   GLU  60          2HB       GLU  60  -2.317 -16.799  -1.639
  461   1HG   GLU  60          1HG       GLU  60  -4.304 -16.537  -0.627
  462   2HG   GLU  60          2HG       GLU  60  -4.111 -14.816  -0.895
  463    H    LYS  61           H        LYS  61   0.307 -15.130  -3.197
  464    HA   LYS  61           HA       LYS  61   1.614 -15.411  -0.582
  465   1HB   LYS  61          1HB       LYS  61   2.291 -16.205  -3.378
  466   2HB   LYS  61          2HB       LYS  61   3.524 -16.151  -2.135
  467   1HG   LYS  61          1HG       LYS  61   1.318 -17.486  -0.987
  468   2HG   LYS  61          2HG       LYS  61   1.511 -18.164  -2.591
  469   1HD   LYS  61          1HD       LYS  61   4.095 -18.102  -1.759
  470   2HD   LYS  61          2HD       LYS  61   3.271 -18.373  -0.236
  471   1HE   LYS  61          1HE       LYS  61   3.049 -20.536  -0.767
  472   2HE   LYS  61          2HE       LYS  61   2.064 -20.080  -2.143
  473   1HZ   LYS  61          1HZ       LYS  61   4.060 -19.840  -3.430
  474   2HZ   LYS  61          2HZ       LYS  61   4.990 -20.271  -2.129
  475   3HZ   LYS  61          3HZ       LYS  61   3.955 -21.371  -2.808
  476    H    CYS  62           H        CYS  62   1.164 -13.118  -3.082
  477    HA   CYS  62           HA       CYS  62   3.430 -11.515  -2.118
  478   1HB   CYS  62          1HB       CYS  62   1.641 -11.282  -4.491
  479   2HB   CYS  62          2HB       CYS  62   2.838 -10.083  -4.046
  480    H    MET  63           H        MET  63   0.231 -12.006  -1.364
  481    HA   MET  63           HA       MET  63  -0.481  -9.215  -0.950
  482   1HB   MET  63          1HB       MET  63  -1.826 -11.855  -0.716
  483   2HB   MET  63          2HB       MET  63  -2.501 -10.465   0.108
  484   1HG   MET  63          1HG       MET  63  -3.156  -9.471  -1.807
  485   2HG   MET  63          2HG       MET  63  -1.799 -10.097  -2.721
  486   1HE   MET  63          1HE       MET  63  -3.894 -12.446  -0.488
  487   2HE   MET  63          2HE       MET  63  -5.118 -11.190  -0.885
  488   3HE   MET  63          3HE       MET  63  -5.298 -12.858  -1.533
  489    H    CYS  64           H        CYS  64   1.557  -9.108   0.476
  490    HA   CYS  64           HA       CYS  64   0.979  -8.811   3.129
  491   1HB   CYS  64          1HB       CYS  64   0.713 -10.884   3.929
  492   2HB   CYS  64          2HB       CYS  64   1.508 -11.625   2.555
  493    HA   PRO  65           HA       PRO  65   5.628  -8.876   2.557
  494   1HB   PRO  65          1HB       PRO  65   6.709 -10.085   0.320
  495   2HB   PRO  65          2HB       PRO  65   6.554 -10.848   1.890
  496   1HG   PRO  65          1HG       PRO  65   5.006 -11.339  -0.561
  497   2HG   PRO  65          2HG       PRO  65   5.157 -12.347   0.864
  498   1HD   PRO  65          1HD       PRO  65   2.987 -10.662   0.177
  499   2HD   PRO  65          2HD       PRO  65   3.194 -11.576   1.659
  500    H    ALA  66           H        ALA  66   3.838  -8.753  -0.478
  501    HA   ALA  66           HA       ALA  66   5.441  -6.725  -1.668
  502   1HB   ALA  66          1HB       ALA  66   4.068  -8.255  -2.994
  503   2HB   ALA  66          2HB       ALA  66   2.592  -7.596  -2.208
  504   3HB   ALA  66          3HB       ALA  66   3.587  -6.545  -3.275
  505    H    ILE  67           H        ILE  67   2.262  -6.666   0.026
  506    HA   ILE  67           HA       ILE  67   1.600  -4.041  -0.067
  507    HB   ILE  67           HB       ILE  67   1.591  -5.862   2.306
  508   1HG1  ILE  67          1HG1      ILE  67   0.044  -5.725  -0.094
  509   2HG1  ILE  67          2HG1      ILE  67  -0.017  -6.913   1.192
  510   1HG2  ILE  67          1HG2      ILE  67   1.506  -3.561   3.119
  511   2HG2  ILE  67          2HG2      ILE  67   0.168  -3.200   1.974
  512   3HG2  ILE  67          3HG2      ILE  67  -0.094  -4.356   3.325
  513   1HD1  ILE  67          1HD1      ILE  67  -1.565  -5.491   2.464
  514   2HD1  ILE  67          2HD1      ILE  67  -1.503  -4.271   1.144
  515   3HD1  ILE  67          3HD1      ILE  67  -2.217  -5.893   0.837
  516    H    MET  68           H        MET  68   4.143  -5.395   2.059
  517    HA   MET  68           HA       MET  68   4.976  -3.122   3.350
  518   1HB   MET  68          1HB       MET  68   5.865  -5.613   3.210
  519   2HB   MET  68          2HB       MET  68   7.069  -4.845   2.195
  520   1HG   MET  68          1HG       MET  68   7.124  -3.089   4.146
  521   2HG   MET  68          2HG       MET  68   6.489  -4.428   5.081
  522   1HE   MET  68          1HE       MET  68   8.581  -4.353   6.683
  523   2HE   MET  68          2HE       MET  68   7.922  -5.984   6.307
  524   3HE   MET  68          3HE       MET  68   9.701  -5.721   6.352
  525    H    MET  69           H        MET  69   6.573  -4.239   0.359
  526    HA   MET  69           HA       MET  69   7.937  -1.907  -0.213
  527   1HB   MET  69          1HB       MET  69   6.867  -4.104  -1.927
  528   2HB   MET  69          2HB       MET  69   7.850  -2.806  -2.573
  529   1HG   MET  69          1HG       MET  69   8.669  -4.682  -0.372
  530   2HG   MET  69          2HG       MET  69   9.190  -4.785  -2.042
  531   1HE   MET  69          1HE       MET  69  10.228  -3.894   1.313
  532   2HE   MET  69          2HE       MET  69  11.301  -4.817   0.204
  533   3HE   MET  69          3HE       MET  69  11.841  -3.235   0.869
  534    H    MET  70           H        MET  70   4.589  -2.696  -0.842
  535    HA   MET  70           HA       MET  70   4.024  -0.790  -2.815
  536   1HB   MET  70          1HB       MET  70   2.132  -1.929  -2.590
  537   2HB   MET  70          2HB       MET  70   2.575  -2.470  -0.984
  538   1HG   MET  70          1HG       MET  70   1.789   0.172  -0.656
  539   2HG   MET  70          2HG       MET  70   0.639  -0.507  -1.789
  540   1HE   MET  70          1HE       MET  70   0.206   0.699   1.204
  541   2HE   MET  70          2HE       MET  70  -1.126   0.246   0.084
  542   3HE   MET  70          3HE       MET  70  -1.097  -0.410   1.758
  543    H    LEU  71           H        LEU  71   4.315  -0.514   0.701
  544    HA   LEU  71           HA       LEU  71   3.597   2.332   0.545
  545   1HB   LEU  71          1HB       LEU  71   4.090   0.528   2.886
  546   2HB   LEU  71          2HB       LEU  71   3.579   2.202   2.983
  547    HG   LEU  71           HG       LEU  71   1.876   0.556   1.331
  548   1HD1  LEU  71          1HD1      LEU  71   2.460  -1.186   2.920
  549   2HD1  LEU  71          2HD1      LEU  71   2.066  -0.083   4.284
  550   3HD1  LEU  71          3HD1      LEU  71   0.765  -0.642   3.176
  551   1HD2  LEU  71          1HD2      LEU  71   1.312   2.342   3.689
  552   2HD2  LEU  71          2HD2      LEU  71   1.248   2.803   1.953
  553   3HD2  LEU  71          3HD2      LEU  71   0.081   1.602   2.607
  554    H    ASN  72           H        ASN  72   6.194   0.799  -0.257
  555    HA   ASN  72           HA       ASN  72   8.071   2.664   1.044
  556   1HB   ASN  72          1HB       ASN  72   8.533  -0.047  -0.164
  557   2HB   ASN  72          2HB       ASN  72   9.789   0.998   0.468
  558   1HD2  ASN  72          2HD2      ASN  72   8.785   1.951   2.762
  559   2HD2  ASN  72          1HD2      ASN  72   8.547   0.630   3.885
  560    H    GLU  73           H        GLU  73   6.356   2.180  -1.728
  561    HA   GLU  73           HA       GLU  73   8.343   2.595  -3.701
  562   1HB   GLU  73          1HB       GLU  73   6.633   2.461  -5.176
  563   2HB   GLU  73          2HB       GLU  73   5.834   1.763  -3.782
  564   1HG   GLU  73          1HG       GLU  73   4.841   3.957  -3.263
  565   2HG   GLU  73          2HG       GLU  73   5.625   4.639  -4.672
  566    HA   PRO  74           HA       PRO  74   8.738   6.980  -3.810
  567   1HB   PRO  74          1HB       PRO  74   8.289   7.695  -6.410
  568   2HB   PRO  74          2HB       PRO  74   9.780   6.997  -5.813
  569   1HG   PRO  74          1HG       PRO  74   7.688   5.751  -7.468
  570   2HG   PRO  74          2HG       PRO  74   9.353   5.255  -7.241
  571   1HD   PRO  74          1HD       PRO  74   7.036   4.174  -5.995
  572   2HD   PRO  74          2HD       PRO  74   8.707   3.716  -5.728
  573    H    MET  75           H        MET  75   6.298   6.280  -2.767
  574    HA   MET  75           HA       MET  75   4.778   8.656  -3.199
  575   1HB   MET  75          1HB       MET  75   4.160   7.001  -5.117
  576   2HB   MET  75          2HB       MET  75   3.283   6.155  -3.858
  577   1HG   MET  75          1HG       MET  75   2.067   8.241  -3.333
  578   2HG   MET  75          2HG       MET  75   2.914   9.046  -4.639
  579   1HE   MET  75          1HE       MET  75   0.930   5.716  -3.905
  580   2HE   MET  75          2HE       MET  75  -0.097   7.141  -3.517
  581   3HE   MET  75          3HE       MET  75  -0.544   6.055  -4.879
  582    H    TRP  76           H        TRP  76   6.104   6.955  -1.074
  583    HA   TRP  76           HA       TRP  76   4.036   7.228   0.891
  584   1HB   TRP  76          1HB       TRP  76   4.948   4.505   0.085
  585   2HB   TRP  76          2HB       TRP  76   4.184   4.849   1.623
  586    HD1  TRP  76           HD       TRP  76   3.351   3.578  -1.654
  587    HE1  TRP  76           1HE      TRP  76   0.843   3.807  -2.206
  588    HE3  TRP  76           3HE      TRP  76   2.070   6.921   1.951
  589    HZ2  TRP  76           2HZ      TRP  76  -1.385   5.358  -1.291
  590    HZ3  TRP  76           3HZ      TRP  76  -0.216   7.866   2.009
  591    HH2  TRP  76           HH       TRP  76  -1.966   7.004   0.487
  592    H    ILE  77           H        ILE  77   5.402   8.620   1.959
  593    HA   ILE  77           HA       ILE  77   7.921   7.405   2.913
  594    HB   ILE  77           HB       ILE  77   7.799  10.313   2.359
  595   1HG1  ILE  77          1HG1      ILE  77   7.201   9.373   0.242
  596   2HG1  ILE  77          2HG1      ILE  77   8.863   9.924   0.177
  597   1HG2  ILE  77          1HG2      ILE  77   9.606   9.506   3.782
  598   2HG2  ILE  77          2HG2      ILE  77  10.064   8.298   2.533
  599   3HG2  ILE  77          3HG2      ILE  77  10.261  10.054   2.199
  600   1HD1  ILE  77          1HD1      ILE  77   9.668   7.611   0.534
  601   2HD1  ILE  77          2HD1      ILE  77   7.962   7.044   0.601
  602   3HD1  ILE  77          3HD1      ILE  77   8.625   7.724  -0.927
  603    H    ARG  78           H        ARG  78   8.120  10.284   4.230
  604    HA   ARG  78           HA       ARG  78   7.270   9.664   6.797
  605   1HB   ARG  78          1HB       ARG  78   7.285  12.115   7.180
  606   2HB   ARG  78          2HB       ARG  78   8.731  11.516   6.393
  607   1HG   ARG  78          1HG       ARG  78   7.194  12.122   4.231
  608   2HG   ARG  78          2HG       ARG  78   6.652  13.339   5.369
  609   1HD   ARG  78          1HD       ARG  78   9.580  12.909   5.095
  610   2HD   ARG  78          2HD       ARG  78   8.754  13.744   3.796
  611    HE   ARG  78           HE       ARG  78   9.389  14.796   6.387
  612   1HH1  ARG  78          1HH2      ARG  78   6.984  14.971   3.851
  613   2HH1  ARG  78          2HH2      ARG  78   6.448  16.565   4.332
  614   1HH2  ARG  78          1HH1      ARG  78   8.652  16.828   6.979
  615   2HH2  ARG  78          2HH1      ARG  78   7.372  17.592   6.064
  616    H    MET  79           H        MET  79   5.373  10.680   4.085
  617    HA   MET  79           HA       MET  79   3.051  11.436   5.602
  618   1HB   MET  79          1HB       MET  79   1.981  11.155   3.308
  619   2HB   MET  79          2HB       MET  79   3.219  12.385   3.468
  620   1HG   MET  79          1HG       MET  79   4.827  11.057   2.349
  621   2HG   MET  79          2HG       MET  79   3.851   9.610   2.502
  622   1HE   MET  79          1HE       MET  79   3.943   8.912   0.106
  623   2HE   MET  79          2HE       MET  79   2.320   8.758   0.863
  624   3HE   MET  79          3HE       MET  79   2.471   9.353  -0.827
  625    H    ARG  80           H        ARG  80   4.255   8.436   4.123
  626    HA   ARG  80           HA       ARG  80   1.916   6.948   4.360
  627   1HB   ARG  80          1HB       ARG  80   3.929   6.236   3.170
  628   2HB   ARG  80          2HB       ARG  80   4.701   5.958   4.719
  629   1HG   ARG  80          1HG       ARG  80   2.191   4.612   4.677
  630   2HG   ARG  80          2HG       ARG  80   3.092   4.188   3.236
  631   1HD   ARG  80          1HD       ARG  80   3.949   3.846   6.095
  632   2HD   ARG  80          2HD       ARG  80   3.652   2.590   4.911
  633    HE   ARG  80           HE       ARG  80   5.666   4.402   4.013
  634   1HH1  ARG  80          1HH2      ARG  80   5.223   1.690   6.136
  635   2HH1  ARG  80          2HH2      ARG  80   6.911   1.239   6.066
  636   1HH2  ARG  80          1HH1      ARG  80   7.801   3.824   3.951
  637   2HH2  ARG  80          2HH1      ARG  80   8.347   2.426   4.850
  638    H    ASP  81           H        ASP  81   3.783   8.283   6.898
  639    HA   ASP  81           HA       ASP  81   3.828   6.594   8.980
  640   1HB   ASP  81          1HB       ASP  81   3.688   9.344   8.642
  641   2HB   ASP  81          2HB       ASP  81   2.390   8.967   9.757
  642    H    GLN  82           H        GLN  82   0.839   8.367   8.050
  643    HA   GLN  82           HA       GLN  82  -0.749   7.064  10.019
  644   1HB   GLN  82          1HB       GLN  82  -1.225   8.916   7.801
  645   2HB   GLN  82          2HB       GLN  82  -2.574   7.882   8.228
  646   1HG   GLN  82          1HG       GLN  82  -2.867   9.757   9.569
  647   2HG   GLN  82          2HG       GLN  82  -2.114   8.587  10.634
  648   1HE2  GLN  82          2HE2      GLN  82  -2.176  11.742  10.149
  649   2HE2  GLN  82          1HE2      GLN  82  -0.501  12.166  10.424
  650    H    VAL  83           H        VAL  83  -1.243   6.942   6.527
  651    HA   VAL  83           HA       VAL  83  -2.607   4.712   6.103
  652    HB   VAL  83           HB       VAL  83  -2.071   5.276   4.074
  653   1HG1  VAL  83          1HG1      VAL  83  -1.028   7.290   4.814
  654   2HG1  VAL  83          2HG1      VAL  83   0.518   6.408   5.068
  655   3HG1  VAL  83          3HG1      VAL  83  -0.145   6.597   3.408
  656   1HG2  VAL  83          1HG2      VAL  83   0.532   3.867   4.552
  657   2HG2  VAL  83          2HG2      VAL  83  -1.014   3.133   3.999
  658   3HG2  VAL  83          3HG2      VAL  83  -0.152   4.311   2.950
  659    H    MET  84           H        MET  84   0.825   4.634   7.018
  660    HA   MET  84           HA       MET  84   1.525   2.045   6.879
  661   1HB   MET  84          1HB       MET  84   2.629   4.148   8.021
  662   2HB   MET  84          2HB       MET  84   1.986   3.403   9.469
  663   1HG   MET  84          1HG       MET  84   3.098   1.269   8.505
  664   2HG   MET  84          2HG       MET  84   4.063   2.423   7.607
  665   1HE   MET  84          1HE       MET  84   5.405   4.450   8.766
  666   2HE   MET  84          2HE       MET  84   3.956   4.870   9.744
  667   3HE   MET  84          3HE       MET  84   5.545   4.628  10.550
  668    H    SER  85           H        SER  85  -0.036   3.415   9.802
  669    HA   SER  85           HA       SER  85  -0.857   0.779  10.672
  670   1HB   SER  85          1HB       SER  85  -0.123   2.857  12.099
  671   2HB   SER  85          2HB       SER  85  -1.826   3.256  11.984
  672    HG   SER  85           HG       SER  85  -1.363   1.901  13.800
  673    H    MET  86           H        MET  86  -1.942   1.464   8.150
  674    HA   MET  86           HA       MET  86  -4.790   1.238   8.790
  675   1HB   MET  86          1HB       MET  86  -3.481   3.438   7.327
  676   2HB   MET  86          2HB       MET  86  -5.000   2.837   6.693
  677   1HG   MET  86          1HG       MET  86  -4.550   3.837   9.490
  678   2HG   MET  86          2HG       MET  86  -5.342   4.724   8.204
  679   1HE   MET  86          1HE       MET  86  -6.822   4.462  10.858
  680   2HE   MET  86          2HE       MET  86  -7.564   5.149   9.372
  681   3HE   MET  86          3HE       MET  86  -8.452   3.916  10.333
  682    H    ALA  87           H        ALA  87  -2.323   1.256   6.228
  683    HA   ALA  87           HA       ALA  87  -3.833  -0.505   4.529
  684   1HB   ALA  87          1HB       ALA  87  -2.368   1.216   3.604
  685   2HB   ALA  87          2HB       ALA  87  -0.968   0.465   4.445
  686   3HB   ALA  87          3HB       ALA  87  -1.811  -0.427   3.131
  687    H    HIS  88           H        HIS  88  -2.485  -1.090   7.422
  688    HA   HIS  88           HA       HIS  88  -1.360  -3.694   6.669
  689   1HB   HIS  88          1HB       HIS  88  -0.338  -3.711   8.741
  690   2HB   HIS  88          2HB       HIS  88  -0.232  -2.039   8.228
  691    HD1  HIS  88           1HD      HIS  88  -0.733  -3.787  11.243
  692    HD2  HIS  88           2HD      HIS  88  -2.789  -0.684   9.272
  693    HE1  HIS  88           1HE      HIS  88  -2.049  -2.517  13.057
  694    HE2  HIS  88           2HE      HIS  88  -3.324  -0.632  11.844
  695    H    ASN  89           H        ASN  89  -4.181  -2.188   8.028
  696    HA   ASN  89           HA       ASN  89  -5.290  -4.840   8.727
  697   1HB   ASN  89          1HB       ASN  89  -5.751  -2.063   9.671
  698   2HB   ASN  89          2HB       ASN  89  -7.100  -3.180   9.696
  699   1HD2  ASN  89          2HD2      ASN  89  -3.641  -3.753  10.225
  700   2HD2  ASN  89          1HD2      ASN  89  -3.811  -4.351  11.860
  701    H    LEU  90           H        LEU  90  -5.544  -2.138   6.555
  702    HA   LEU  90           HA       LEU  90  -8.142  -2.566   5.575
  703   1HB   LEU  90          1HB       LEU  90  -5.667  -1.293   4.560
  704   2HB   LEU  90          2HB       LEU  90  -6.963  -1.605   3.423
  705    HG   LEU  90           HG       LEU  90  -7.334  -0.076   5.981
  706   1HD1  LEU  90          1HD1      LEU  90  -5.718   1.088   4.536
  707   2HD1  LEU  90          2HD1      LEU  90  -6.865   0.947   3.158
  708   3HD1  LEU  90          3HD1      LEU  90  -7.289   1.964   4.579
  709   1HD2  LEU  90          1HD2      LEU  90  -9.034  -0.338   3.484
  710   2HD2  LEU  90          2HD2      LEU  90  -9.371  -1.107   5.073
  711   3HD2  LEU  90          3HD2      LEU  90  -9.419   0.683   4.913
  712    HA   PRO  91           HA       PRO  91  -6.303  -5.617   2.473
  713   1HB   PRO  91          1HB       PRO  91  -3.772  -6.602   2.913
  714   2HB   PRO  91          2HB       PRO  91  -4.152  -5.288   1.816
  715   1HG   PRO  91          1HG       PRO  91  -2.866  -5.188   4.438
  716   2HG   PRO  91          2HG       PRO  91  -2.878  -3.984   3.167
  717   1HD   PRO  91          1HD       PRO  91  -4.410  -4.004   5.534
  718   2HD   PRO  91          2HD       PRO  91  -4.493  -2.853   4.216
  719    H    ILE  92           H        ILE  92  -5.189  -6.016   5.805
  720    HA   ILE  92           HA       ILE  92  -5.465  -8.833   5.915
  721    HB   ILE  92           HB       ILE  92  -5.383  -6.617   7.865
  722   1HG1  ILE  92          1HG1      ILE  92  -3.681  -8.801   6.951
  723   2HG1  ILE  92          2HG1      ILE  92  -3.265  -7.182   7.476
  724   1HG2  ILE  92          1HG2      ILE  92  -7.158  -8.008   8.790
  725   2HG2  ILE  92          2HG2      ILE  92  -6.109  -9.459   8.628
  726   3HG2  ILE  92          3HG2      ILE  92  -5.662  -8.150   9.777
  727   1HD1  ILE  92          1HD1      ILE  92  -3.497  -7.860   9.824
  728   2HD1  ILE  92          2HD1      ILE  92  -3.924  -9.520   9.286
  729   3HD1  ILE  92          3HD1      ILE  92  -2.284  -8.864   8.957
  730    H    GLU  93           H        GLU  93  -7.771  -6.208   6.681
  731    HA   GLU  93           HA       GLU  93  -9.907  -7.904   7.451
  732   1HB   GLU  93          1HB       GLU  93  -9.627  -5.086   6.586
  733   2HB   GLU  93          2HB       GLU  93 -11.229  -5.790   6.496
  734   1HG   GLU  93          1HG       GLU  93 -10.084  -6.532   8.994
  735   2HG   GLU  93          2HG       GLU  93  -9.873  -4.804   8.795
  736    H    CYS  94           H        CYS  94  -8.573  -7.193   4.334
  737    HA   CYS  94           HA       CYS  94 -10.901  -8.265   2.955
  738   1HB   CYS  94          1HB       CYS  94  -8.353  -6.988   2.198
  739   2HB   CYS  94          2HB       CYS  94  -9.124  -8.042   1.031
  740    H    ASN  95           H        ASN  95  -8.175  -9.519   4.508
  741    HA   ASN  95           HA       ASN  95  -7.514 -11.668   4.814
  742   1HB   ASN  95          1HB       ASN  95  -9.892 -12.188   3.841
  743   2HB   ASN  95          2HB       ASN  95  -8.983 -12.652   2.418
  744   1HD2  ASN  95          2HD2      ASN  95  -6.788 -13.900   3.310
  745   2HD2  ASN  95          1HD2      ASN  95  -7.204 -15.269   4.316
  746    H    LEU  96           H        LEU  96  -6.368  -9.552   3.027
  747    HA   LEU  96           HA       LEU  96  -5.204 -11.062   0.840
  748   1HB   LEU  96          1HB       LEU  96  -4.537  -8.261   1.640
  749   2HB   LEU  96          2HB       LEU  96  -4.299  -9.027   0.082
  750    HG   LEU  96           HG       LEU  96  -7.036  -8.691   1.228
  751   1HD1  LEU  96          1HD1      LEU  96  -6.013  -6.498   1.302
  752   2HD1  LEU  96          2HD1      LEU  96  -5.503  -6.679  -0.414
  753   3HD1  LEU  96          3HD1      LEU  96  -7.251  -6.582   0.001
  754   1HD2  LEU  96          1HD2      LEU  96  -6.024  -8.861  -1.619
  755   2HD2  LEU  96          2HD2      LEU  96  -6.827 -10.181  -0.698
  756   3HD2  LEU  96          3HD2      LEU  96  -7.744  -8.693  -1.119
  757    H    MET  97           H        MET  97  -4.035  -9.216   3.631
  758    HA   MET  97           HA       MET  97  -1.724 -11.040   3.764
  759   1HB   MET  97          1HB       MET  97  -0.407  -9.233   4.575
  760   2HB   MET  97          2HB       MET  97  -1.178  -8.753   3.076
  761   1HG   MET  97          1HG       MET  97  -2.048  -7.000   4.083
  762   2HG   MET  97          2HG       MET  97  -2.909  -8.060   5.181
  763   1HE   MET  97          1HE       MET  97   0.955  -7.833   4.854
  764   2HE   MET  97          2HE       MET  97   0.429  -6.152   4.492
  765   3HE   MET  97          3HE       MET  97   1.357  -6.500   5.993
  766    H    SER  98           H        SER  98  -4.427 -11.150   5.087
  767    HA   SER  98           HA       SER  98  -4.621 -10.453   7.655
  768   1HB   SER  98          1HB       SER  98  -5.707 -12.649   8.126
  769   2HB   SER  98          2HB       SER  98  -6.312 -11.807   6.713
  770    HG   SER  98           HG       SER  98  -5.882 -14.034   6.288
  771    H    GLN  99           H        GLN  99  -3.284 -13.691   7.117
  772    HA   GLN  99           HA       GLN  99  -0.878 -12.994   8.573
  773   1HB   GLN  99          1HB       GLN  99  -3.081 -13.859   9.986
  774   2HB   GLN  99          2HB       GLN  99  -2.126 -15.315   9.800
  775   1HG   GLN  99          1HG       GLN  99  -0.238 -14.329  10.836
  776   2HG   GLN  99          2HG       GLN  99  -0.913 -12.718  10.703
  777   1HE2  GLN  99          2HE2      GLN  99  -0.914 -15.715  12.481
  778   2HE2  GLN  99          1HE2      GLN  99  -1.921 -15.171  13.803
  779    HA   PRO 100           HA       PRO 100  -0.724 -16.413   5.423
  780   1HB   PRO 100          1HB       PRO 100   0.586 -15.088   3.386
  781   2HB   PRO 100          2HB       PRO 100  -1.147 -15.338   3.462
  782   1HG   PRO 100          1HG       PRO 100   0.378 -12.881   3.901
  783   2HG   PRO 100          2HG       PRO 100  -1.337 -13.074   3.598
  784   1HD   PRO 100          1HD       PRO 100  -0.060 -12.565   6.086
  785   2HD   PRO 100          2HD       PRO 100  -1.770 -12.811   5.791
  786    H    CYS 101           H        CYS 101   1.834 -13.902   5.322
  787    HA   CYS 101           HA       CYS 101   3.917 -15.867   5.489
  788   1HB   CYS 101          1HB       CYS 101   4.378 -13.010   6.101
  789   2HB   CYS 101          2HB       CYS 101   5.370 -14.133   5.193
  790    H    GLN 102           H        GLN 102   4.373 -16.973   7.255
  791    HA   GLN 102           HA       GLN 102   4.202 -15.576   9.858
  792   1HB   GLN 102          1HB       GLN 102   3.481 -18.436   9.273
  793   2HB   GLN 102          2HB       GLN 102   3.528 -17.712  10.868
  794   1HG   GLN 102          1HG       GLN 102   1.839 -16.031  10.045
  795   2HG   GLN 102          2HG       GLN 102   1.688 -16.999   8.592
  796   1HE2  GLN 102          2HE2      GLN 102   1.235 -16.951  12.095
  797   2HE2  GLN 102          1HE2      GLN 102   0.095 -18.277  12.157
  798    H    MET 103           H        MET 103   5.382 -17.121  11.540
  799    HA   MET 103           HA       MET 103   7.940 -18.052  10.412
  800   1HB   MET 103          1HB       MET 103   7.444 -15.787  12.188
  801   2HB   MET 103          2HB       MET 103   8.708 -16.869  12.737
  802   1HG   MET 103          1HG       MET 103   8.892 -16.247   9.897
  803   2HG   MET 103          2HG       MET 103   9.021 -14.830  10.919
  804   1HE   MET 103          1HE       MET 103  10.293 -18.507  10.416
  805   2HE   MET 103          2HE       MET 103  10.845 -17.407   9.105
  806   3HE   MET 103          3HE       MET 103  12.043 -18.145  10.225
  Start of MODEL   15
    1    HA   PRO   1           HA       PRO   1   3.846 -12.985 -30.525
    2   1HB   PRO   1          1HB       PRO   1   2.431 -11.340 -28.865
    3   2HB   PRO   1          2HB       PRO   1   1.710 -12.365 -30.090
    4   1HG   PRO   1          1HG       PRO   1   1.694 -12.682 -27.165
    5   2HG   PRO   1          2HG       PRO   1   0.622 -13.388 -28.359
    6   1HD   PRO   1          1HD       PRO   1   2.880 -14.591 -27.102
    7   2HD   PRO   1          2HD       PRO   1   1.807 -15.297 -28.293
    8    H    TYR   2           H        TYR   2   6.004 -13.855 -28.764
    9    HA   TYR   2           HA       TYR   2   7.305 -11.360 -28.150
   10   1HB   TYR   2          1HB       TYR   2   7.423 -11.580 -25.777
   11   2HB   TYR   2          2HB       TYR   2   5.734 -11.614 -26.241
   12    HD1  TYR   2           1HD      TYR   2   4.810 -14.184 -26.653
   13    HD2  TYR   2           2HD      TYR   2   8.012 -12.954 -24.047
   14    HE1  TYR   2           1HE      TYR   2   4.687 -16.377 -25.483
   15    HE2  TYR   2           2HE      TYR   2   7.885 -15.132 -22.856
   16    HH   TYR   2           HH       TYR   2   6.834 -17.118 -22.730
   17    H    GLY   3           H        GLY   3   9.451 -11.908 -26.961
   18   1HA   GLY   3          1HA       GLY   3  10.698 -14.265 -28.187
   19   2HA   GLY   3          2HA       GLY   3  11.508 -12.952 -27.355
   20    H    ARG   4           H        ARG   4  12.465 -15.359 -26.730
   21    HA   ARG   4           HA       ARG   4  11.275 -15.918 -24.056
   22   1HB   ARG   4          1HB       ARG   4  11.518 -17.672 -26.177
   23   2HB   ARG   4          2HB       ARG   4  12.863 -18.079 -25.130
   24   1HG   ARG   4          1HG       ARG   4  10.651 -17.792 -23.429
   25   2HG   ARG   4          2HG       ARG   4  10.065 -18.691 -24.813
   26   1HD   ARG   4          1HD       ARG   4  10.853 -20.390 -23.462
   27   2HD   ARG   4          2HD       ARG   4  12.243 -20.083 -24.483
   28    HE   ARG   4           HE       ARG   4  12.263 -18.501 -22.063
   29   1HH1  ARG   4          1HH2      ARG   4  13.205 -21.602 -23.362
   30   2HH1  ARG   4          2HH2      ARG   4  14.374 -21.875 -22.089
   31   1HH2  ARG   4          1HH1      ARG   4  13.747 -18.929 -20.453
   32   2HH2  ARG   4          2HH1      ARG   4  14.671 -20.413 -20.500
   33    H    GLY   5           H        GLY   5  12.675 -16.294 -22.317
   34   1HA   GLY   5          1HA       GLY   5  15.320 -16.721 -22.174
   35   2HA   GLY   5          2HA       GLY   5  15.316 -15.044 -22.682
   36    H    ARG   6           H        ARG   6  14.268 -13.460 -21.312
   37    HA   ARG   6           HA       ARG   6  14.624 -13.584 -18.552
   38   1HB   ARG   6          1HB       ARG   6  12.902 -11.889 -20.282
   39   2HB   ARG   6          2HB       ARG   6  12.709 -11.805 -18.542
   40   1HG   ARG   6          1HG       ARG   6  14.423 -10.374 -18.472
   41   2HG   ARG   6          2HG       ARG   6  15.475 -11.663 -19.020
   42   1HD   ARG   6          1HD       ARG   6  14.647 -11.044 -21.380
   43   2HD   ARG   6          2HD       ARG   6  14.105  -9.552 -20.637
   44    HE   ARG   6           HE       ARG   6  16.862 -10.201 -20.041
   45   1HH1  ARG   6          1HH2      ARG   6  14.820  -8.524 -22.351
   46   2HH1  ARG   6          2HH2      ARG   6  16.154  -7.559 -22.941
   47   1HH2  ARG   6          1HH1      ARG   6  18.498  -8.958 -20.868
   48   2HH2  ARG   6          2HH1      ARG   6  18.160  -7.795 -22.131
   49    H    THR   7           H        THR   7  13.136 -13.428 -16.888
   50    HA   THR   7           HA       THR   7  11.215 -15.648 -16.899
   51    HB   THR   7           HB       THR   7  11.508 -15.632 -14.493
   52    HG1  THR   7           1HG      THR   7  13.012 -14.150 -13.594
   53   1HG2  THR   7          1HG2      THR   7  13.136 -16.906 -15.851
   54   2HG2  THR   7          2HG2      THR   7  14.164 -15.435 -15.973
   55   3HG2  THR   7          3HG2      THR   7  13.911 -16.227 -14.378
   56    H    GLU   8           H        GLU   8   9.614 -15.081 -14.861
   57    HA   GLU   8           HA       GLU   8   7.866 -13.053 -15.960
   58   1HB   GLU   8          1HB       GLU   8   7.275 -14.427 -13.401
   59   2HB   GLU   8          2HB       GLU   8   6.198 -13.992 -14.712
   60   1HG   GLU   8          1HG       GLU   8   7.702 -15.802 -15.987
   61   2HG   GLU   8          2HG       GLU   8   7.862 -16.413 -14.353
   62    H    SER   9           H        SER   9   6.923 -11.328 -14.704
   63    HA   SER   9           HA       SER   9   8.804  -9.761 -13.267
   64   1HB   SER   9          1HB       SER   9   6.328  -8.726 -12.684
   65   2HB   SER   9          2HB       SER   9   7.384  -8.263 -14.002
   66    HG   SER   9           HG       SER   9   5.262  -8.711 -14.696
   67    H    GLY  10           H        GLY  10   8.669  -8.951 -11.072
   68   1HA   GLY  10          1HA       GLY  10   8.046 -11.094  -9.159
   69   2HA   GLY  10          2HA       GLY  10   8.898  -9.600  -8.822
   70    H    CYS  11           H        CYS  11   6.718 -10.685  -7.162
   71    HA   CYS  11           HA       CYS  11   4.186  -9.646  -7.550
   72   1HB   CYS  11          1HB       CYS  11   5.787  -9.571  -5.039
   73   2HB   CYS  11          2HB       CYS  11   4.045  -9.425  -5.142
   74    H    TYR  12           H        TYR  12   6.946  -7.887  -6.205
   75    HA   TYR  12           HA       TYR  12   5.969  -5.322  -5.775
   76   1HB   TYR  12          1HB       TYR  12   8.146  -6.136  -5.106
   77   2HB   TYR  12          2HB       TYR  12   8.644  -6.233  -6.783
   78    HD1  TYR  12           1HD      TYR  12  10.064  -4.505  -7.541
   79    HD2  TYR  12           2HD      TYR  12   7.038  -3.664  -4.597
   80    HE1  TYR  12           1HE      TYR  12  10.835  -2.135  -7.417
   81    HE2  TYR  12           2HE      TYR  12   7.728  -1.278  -4.543
   82    HH   TYR  12           HH       TYR  12   9.309   0.147  -5.069
   83    H    GLN  13           H        GLN  13   6.935  -6.742  -8.809
   84    HA   GLN  13           HA       GLN  13   6.542  -4.279 -10.320
   85   1HB   GLN  13          1HB       GLN  13   7.785  -6.773 -10.683
   86   2HB   GLN  13          2HB       GLN  13   6.509  -6.683 -11.880
   87   1HG   GLN  13          1HG       GLN  13   7.501  -4.244 -12.206
   88   2HG   GLN  13          2HG       GLN  13   8.947  -5.019 -11.588
   89   1HE2  GLN  13          2HE2      GLN  13   6.430  -5.229 -14.077
   90   2HE2  GLN  13          1HE2      GLN  13   7.380  -6.145 -15.226
   91    H    GLN  14           H        GLN  14   4.560  -7.159  -9.526
   92    HA   GLN  14           HA       GLN  14   2.479  -6.510 -11.455
   93   1HB   GLN  14          1HB       GLN  14   2.653  -8.338  -9.123
   94   2HB   GLN  14          2HB       GLN  14   1.075  -7.927  -9.764
   95   1HG   GLN  14          1HG       GLN  14   1.297  -9.402 -11.401
   96   2HG   GLN  14          2HG       GLN  14   2.810  -8.677 -11.907
   97   1HE2  GLN  14          2HE2      GLN  14   4.526  -9.224  -9.871
   98   2HE2  GLN  14          1HE2      GLN  14   4.691 -10.956  -9.683
   99    H    MET  15           H        MET  15   2.868  -5.964  -7.972
  100    HA   MET  15           HA       MET  15   0.497  -4.554  -7.479
  101   1HB   MET  15          1HB       MET  15   1.888  -3.250  -5.785
  102   2HB   MET  15          2HB       MET  15   1.712  -4.981  -5.576
  103   1HG   MET  15          1HG       MET  15   3.880  -5.308  -5.778
  104   2HG   MET  15          2HG       MET  15   3.955  -4.346  -7.241
  105   1HE   MET  15          1HE       MET  15   3.364  -4.219  -3.561
  106   2HE   MET  15          2HE       MET  15   4.952  -4.955  -3.973
  107   3HE   MET  15          3HE       MET  15   4.887  -3.428  -3.026
  108    H    GLU  16           H        GLU  16   3.661  -2.944  -8.172
  109    HA   GLU  16           HA       GLU  16   2.583  -0.373  -8.411
  110   1HB   GLU  16          1HB       GLU  16   4.593   0.312  -9.314
  111   2HB   GLU  16          2HB       GLU  16   5.032  -1.121  -8.405
  112   1HG   GLU  16          1HG       GLU  16   4.985  -2.430 -10.478
  113   2HG   GLU  16          2HG       GLU  16   4.591  -0.978 -11.375
  114    H    GLU  17           H        GLU  17   2.860  -2.849 -10.889
  115    HA   GLU  17           HA       GLU  17   1.944  -1.364 -13.101
  116   1HB   GLU  17          1HB       GLU  17   3.141  -3.463 -13.313
  117   2HB   GLU  17          2HB       GLU  17   1.780  -4.322 -12.620
  118   1HG   GLU  17          1HG       GLU  17   1.317  -2.657 -15.031
  119   2HG   GLU  17          2HG       GLU  17   2.151  -4.186 -15.226
  120    H    ALA  18           H        ALA  18   0.249  -3.018 -10.582
  121    HA   ALA  18           HA       ALA  18  -2.357  -2.241 -11.692
  122   1HB   ALA  18          1HB       ALA  18  -2.089  -4.638 -11.921
  123   2HB   ALA  18          2HB       ALA  18  -1.663  -4.779 -10.180
  124   3HB   ALA  18          3HB       ALA  18  -3.324  -4.285 -10.662
  125    H    GLU  19           H        GLU  19  -0.877  -0.491 -10.148
  126    HA   GLU  19           HA       GLU  19  -0.849  -0.195  -7.561
  127   1HB   GLU  19          1HB       GLU  19  -1.692   2.246  -7.891
  128   2HB   GLU  19          2HB       GLU  19  -0.143   1.695  -8.496
  129   1HG   GLU  19          1HG       GLU  19  -0.773   1.847 -10.660
  130   2HG   GLU  19          2HG       GLU  19  -2.443   1.449 -10.317
  131    H    MET  20           H        MET  20  -2.193  -1.542  -6.513
  132    HA   MET  20           HA       MET  20  -5.082  -1.024  -6.614
  133   1HB   MET  20          1HB       MET  20  -5.336  -3.146  -5.451
  134   2HB   MET  20          2HB       MET  20  -4.452  -3.289  -6.958
  135   1HG   MET  20          1HG       MET  20  -2.916  -3.005  -4.451
  136   2HG   MET  20          2HG       MET  20  -3.692  -4.539  -4.787
  137   1HE   MET  20          1HE       MET  20  -1.009  -2.010  -5.534
  138   2HE   MET  20          2HE       MET  20  -0.591  -3.374  -4.442
  139   3HE   MET  20          3HE       MET  20   0.263  -3.188  -6.013
  140    H    LEU  21           H        LEU  21  -2.403  -0.978  -4.464
  141    HA   LEU  21           HA       LEU  21  -3.962  -0.141  -2.170
  142   1HB   LEU  21          1HB       LEU  21  -1.314  -1.182  -2.759
  143   2HB   LEU  21          2HB       LEU  21  -1.451  -0.144  -1.353
  144    HG   LEU  21           HG       LEU  21  -1.565  -2.534  -0.857
  145   1HD1  LEU  21          1HD1      LEU  21  -2.569  -1.077   0.796
  146   2HD1  LEU  21          2HD1      LEU  21  -4.122  -1.106  -0.108
  147   3HD1  LEU  21          3HD1      LEU  21  -3.496  -2.609   0.653
  148   1HD2  LEU  21          1HD2      LEU  21  -4.142  -2.494  -2.355
  149   2HD2  LEU  21          2HD2      LEU  21  -2.635  -3.377  -2.781
  150   3HD2  LEU  21          3HD2      LEU  21  -3.555  -3.828  -1.303
  151    H    ASN  22           H        ASN  22  -3.146   1.462  -4.748
  152    HA   ASN  22           HA       ASN  22  -2.221   3.994  -3.673
  153   1HB   ASN  22          1HB       ASN  22  -2.907   2.774  -6.265
  154   2HB   ASN  22          2HB       ASN  22  -3.240   4.490  -6.147
  155   1HD2  ASN  22          2HD2      ASN  22  -1.567   5.884  -6.376
  156   2HD2  ASN  22          1HD2      ASN  22   0.122   5.446  -6.249
  157    H    HIS  23           H        HIS  23  -5.259   2.634  -4.878
  158    HA   HIS  23           HA       HIS  23  -6.857   4.958  -4.617
  159   1HB   HIS  23          1HB       HIS  23  -7.596   2.046  -4.695
  160   2HB   HIS  23          2HB       HIS  23  -8.772   3.345  -4.705
  161    HD1  HIS  23           1HD      HIS  23  -9.382   4.253  -7.161
  162    HD2  HIS  23           2HD      HIS  23  -5.793   2.061  -6.821
  163    HE1  HIS  23           1HE      HIS  23  -8.479   3.946  -9.551
  164    HE2  HIS  23           2HE      HIS  23  -6.269   2.644  -9.321
  165    H    CYS  24           H        CYS  24  -7.018   2.001  -2.548
  166    HA   CYS  24           HA       CYS  24  -8.233   3.246  -0.360
  167   1HB   CYS  24          1HB       CYS  24  -6.526   0.880  -0.698
  168   2HB   CYS  24          2HB       CYS  24  -6.682   1.505   0.932
  169    H    GLY  25           H        GLY  25  -4.815   3.319  -1.260
  170   1HA   GLY  25          1HA       GLY  25  -3.770   4.573   1.021
  171   2HA   GLY  25          2HA       GLY  25  -3.148   4.730  -0.609
  172    H    MET  26           H        MET  26  -5.044   6.186  -1.957
  173    HA   MET  26           HA       MET  26  -4.681   8.861  -1.222
  174   1HB   MET  26          1HB       MET  26  -6.319   7.370  -3.109
  175   2HB   MET  26          2HB       MET  26  -7.050   8.878  -2.599
  176   1HG   MET  26          1HG       MET  26  -5.002  10.053  -3.274
  177   2HG   MET  26          2HG       MET  26  -4.362   8.535  -3.871
  178   1HE   MET  26          1HE       MET  26  -3.969   9.046  -6.299
  179   2HE   MET  26          2HE       MET  26  -4.831   7.485  -6.074
  180   3HE   MET  26          3HE       MET  26  -5.313   8.593  -7.405
  181    H    TYR  27           H        TYR  27  -7.447   6.748  -0.463
  182    HA   TYR  27           HA       TYR  27  -9.133   8.568   0.851
  183   1HB   TYR  27          1HB       TYR  27  -9.597   6.206   0.242
  184   2HB   TYR  27          2HB       TYR  27  -8.612   5.712   1.605
  185    HD1  TYR  27           1HD      TYR  27  -9.566   5.364   3.689
  186    HD2  TYR  27           2HD      TYR  27 -11.593   7.794   0.752
  187    HE1  TYR  27           1HE      TYR  27 -11.549   5.513   5.188
  188    HE2  TYR  27           2HE      TYR  27 -13.588   7.940   2.243
  189    HH   TYR  27           HH       TYR  27 -14.462   7.298   4.242
  190    H    LEU  28           H        LEU  28  -6.278   6.888   2.074
  191    HA   LEU  28           HA       LEU  28  -6.539   7.918   4.784
  192   1HB   LEU  28          1HB       LEU  28  -4.119   6.580   3.629
  193   2HB   LEU  28          2HB       LEU  28  -4.673   6.587   5.291
  194    HG   LEU  28           HG       LEU  28  -6.306   5.289   3.189
  195   1HD1  LEU  28          1HD1      LEU  28  -4.177   4.333   2.694
  196   2HD1  LEU  28          2HD1      LEU  28  -3.923   3.925   4.427
  197   3HD1  LEU  28          3HD1      LEU  28  -5.218   3.102   3.490
  198   1HD2  LEU  28          1HD2      LEU  28  -6.034   4.684   6.116
  199   2HD2  LEU  28          2HD2      LEU  28  -7.402   5.502   5.284
  200   3HD2  LEU  28          3HD2      LEU  28  -7.055   3.769   4.952
  201    H    MET  29           H        MET  29  -4.696   8.615   1.861
  202    HA   MET  29           HA       MET  29  -3.062  10.710   2.918
  203   1HB   MET  29          1HB       MET  29  -2.779   9.277   0.777
  204   2HB   MET  29          2HB       MET  29  -3.724  10.551   0.035
  205   1HG   MET  29          1HG       MET  29  -1.445  11.135  -0.276
  206   2HG   MET  29          2HG       MET  29  -2.053  12.186   0.986
  207   1HE   MET  29          1HE       MET  29   0.059  12.855   2.165
  208   2HE   MET  29          2HE       MET  29  -1.211  12.322   3.320
  209   3HE   MET  29          3HE       MET  29   0.502  11.839   3.580
  210    H    LYS  30           H        LYS  30  -6.329  10.731   2.647
  211    HA   LYS  30           HA       LYS  30  -6.641  13.433   1.633
  212   1HB   LYS  30          1HB       LYS  30  -8.254  11.280   1.743
  213   2HB   LYS  30          2HB       LYS  30  -8.864  12.220   3.091
  214   1HG   LYS  30          1HG       LYS  30  -9.606  13.916   1.750
  215   2HG   LYS  30          2HG       LYS  30  -8.314  13.700   0.586
  216   1HD   LYS  30          1HD       LYS  30  -9.602  11.424   0.123
  217   2HD   LYS  30          2HD       LYS  30 -10.956  12.344   0.746
  218   1HE   LYS  30          1HE       LYS  30 -10.932  12.656  -1.623
  219   2HE   LYS  30          2HE       LYS  30 -10.363  14.149  -0.904
  220   1HZ   LYS  30          1HZ       LYS  30  -8.118  13.441  -1.325
  221   2HZ   LYS  30          2HZ       LYS  30  -8.657  12.029  -2.005
  222   3HZ   LYS  30          3HZ       LYS  30  -8.984  13.478  -2.737
  223    H    ASN  31           H        ASN  31  -5.973  12.054   4.651
  224    HA   ASN  31           HA       ASN  31  -6.276  14.688   5.980
  225   1HB   ASN  31          1HB       ASN  31  -7.727  12.485   6.592
  226   2HB   ASN  31          2HB       ASN  31  -6.384  12.331   7.706
  227   1HD2  ASN  31          2HD2      ASN  31  -6.436  13.530   9.565
  228   2HD2  ASN  31          1HD2      ASN  31  -7.549  14.851   9.843
  229    H    LEU  32           H        LEU  32  -4.058  12.601   4.834
  230    HA   LEU  32           HA       LEU  32  -2.095  13.082   6.993
  231   1HB   LEU  32          1HB       LEU  32  -2.148  11.032   4.798
  232   2HB   LEU  32          2HB       LEU  32  -0.868  11.195   5.984
  233    HG   LEU  32           HG       LEU  32  -3.742  10.744   6.776
  234   1HD1  LEU  32          1HD1      LEU  32  -3.064   8.825   5.387
  235   2HD1  LEU  32          2HD1      LEU  32  -1.593   8.629   6.402
  236   3HD1  LEU  32          3HD1      LEU  32  -3.220   8.358   7.115
  237   1HD2  LEU  32          1HD2      LEU  32  -1.113  10.314   8.220
  238   2HD2  LEU  32          2HD2      LEU  32  -2.270  11.660   8.503
  239   3HD2  LEU  32          3HD2      LEU  32  -2.746   9.971   8.891
  240    H    GLY  33           H        GLY  33  -3.087  14.400   4.092
  241   1HA   GLY  33          1HA       GLY  33  -0.999  16.196   3.663
  242   2HA   GLY  33          2HA       GLY  33  -0.662  14.800   2.658
  243    H    GLU  34           H        GLU  34  -2.747  17.499   3.234
  244    HA   GLU  34           HA       GLU  34  -3.975  17.181   0.562
  245   1HB   GLU  34          1HB       GLU  34  -5.480  16.682   2.599
  246   2HB   GLU  34          2HB       GLU  34  -5.490  18.419   2.820
  247   1HG   GLU  34          1HG       GLU  34  -6.314  18.746   0.565
  248   2HG   GLU  34          2HG       GLU  34  -6.185  17.030   0.236
  249    H    ARG  35           H        ARG  35  -1.687  18.386   0.499
  250    HA   ARG  35           HA       ARG  35  -1.857  21.194   1.107
  251   1HB   ARG  35          1HB       ARG  35   0.232  19.811   0.767
  252   2HB   ARG  35          2HB       ARG  35  -0.043  20.020  -0.951
  253   1HG   ARG  35          1HG       ARG  35   0.513  22.237  -0.906
  254   2HG   ARG  35          2HG       ARG  35  -0.146  22.475   0.699
  255   1HD   ARG  35          1HD       ARG  35   1.773  21.685   1.744
  256   2HD   ARG  35          2HD       ARG  35   2.304  20.812   0.321
  257    HE   ARG  35           HE       ARG  35   2.231  23.626  -0.190
  258   1HH1  ARG  35          1HH2      ARG  35   4.178  21.236   1.485
  259   2HH1  ARG  35          2HH2      ARG  35   5.642  22.173   1.289
  260   1HH2  ARG  35          1HH1      ARG  35   4.152  24.739  -0.423
  261   2HH2  ARG  35          2HH1      ARG  35   5.628  24.082   0.249
  262    H    SER  36           H        SER  36  -1.992  22.988  -0.367
  263    HA   SER  36           HA       SER  36  -4.048  23.083  -2.227
  264   1HB   SER  36          1HB       SER  36  -1.482  24.635  -2.083
  265   2HB   SER  36          2HB       SER  36  -2.704  24.973  -3.293
  266    HG   SER  36           HG       SER  36  -2.996  26.216  -1.382
  267    H    GLN  37           H        GLN  37  -4.296  22.883  -4.377
  268    HA   GLN  37           HA       GLN  37  -2.106  21.719  -5.964
  269   1HB   GLN  37          1HB       GLN  37  -3.561  20.032  -6.875
  270   2HB   GLN  37          2HB       GLN  37  -3.488  19.883  -5.131
  271   1HG   GLN  37          1HG       GLN  37  -5.665  20.703  -4.854
  272   2HG   GLN  37          2HG       GLN  37  -5.707  21.390  -6.465
  273   1HE2  GLN  37          2HE2      GLN  37  -7.086  19.042  -4.707
  274   2HE2  GLN  37          1HE2      GLN  37  -7.344  17.833  -5.946
  275    H    VAL  38           H        VAL  38  -2.612  21.713  -8.301
  276    HA   VAL  38           HA       VAL  38  -3.572  24.275  -9.171
  277    HB   VAL  38           HB       VAL  38  -3.131  23.437 -11.405
  278   1HG1  VAL  38          1HG1      VAL  38  -1.322  24.428 -10.105
  279   2HG1  VAL  38          2HG1      VAL  38  -0.964  22.829  -9.364
  280   3HG1  VAL  38          3HG1      VAL  38  -0.689  23.087 -11.122
  281   1HG2  VAL  38          1HG2      VAL  38  -2.518  20.771 -10.080
  282   2HG2  VAL  38          2HG2      VAL  38  -3.878  21.111 -11.206
  283   3HG2  VAL  38          3HG2      VAL  38  -2.181  21.189 -11.796
  284    H    SER  39           H        SER  39  -5.158  24.412 -11.093
  285    HA   SER  39           HA       SER  39  -7.719  23.613 -10.233
  286   1HB   SER  39          1HB       SER  39  -8.559  24.429 -12.341
  287   2HB   SER  39          2HB       SER  39  -7.424  25.544 -11.607
  288    HG   SER  39           HG       SER  39  -7.103  25.319 -13.852
  289    HA   PRO  40           HA       PRO  40  -7.464  19.366 -11.670
  290   1HB   PRO  40          1HB       PRO  40  -9.800  18.482 -10.512
  291   2HB   PRO  40          2HB       PRO  40  -8.253  18.514  -9.688
  292   1HG   PRO  40          1HG       PRO  40 -10.580  20.275  -9.320
  293   2HG   PRO  40          2HG       PRO  40  -9.227  19.998  -8.242
  294   1HD   PRO  40          1HD       PRO  40  -9.626  22.225  -9.954
  295   2HD   PRO  40          2HD       PRO  40  -8.219  21.887  -8.968
  296    H    ARG  41           H        ARG  41  -7.754  19.966 -13.831
  297    HA   ARG  41           HA       ARG  41  -9.861  21.057 -15.155
  298   1HB   ARG  41          1HB       ARG  41  -7.578  19.896 -15.997
  299   2HB   ARG  41          2HB       ARG  41  -8.758  18.751 -16.599
  300   1HG   ARG  41          1HG       ARG  41  -9.971  20.965 -17.405
  301   2HG   ARG  41          2HG       ARG  41  -8.340  21.602 -17.344
  302   1HD   ARG  41          1HD       ARG  41  -7.737  20.506 -19.209
  303   2HD   ARG  41          2HD       ARG  41  -8.463  19.010 -18.655
  304    HE   ARG  41           HE       ARG  41 -10.525  20.784 -19.434
  305   1HH1  ARG  41          1HH2      ARG  41  -8.001  18.885 -20.957
  306   2HH1  ARG  41          2HH2      ARG  41  -8.904  18.736 -22.447
  307   1HH2  ARG  41          1HH1      ARG  41 -11.607  20.539 -21.363
  308   2HH2  ARG  41          2HH1      ARG  41 -10.869  19.638 -22.668
  309    H    MET  42           H        MET  42  -9.527  17.566 -14.868
  310    HA   MET  42           HA       MET  42 -12.364  17.099 -14.377
  311   1HB   MET  42          1HB       MET  42 -11.049  15.862 -16.794
  312   2HB   MET  42          2HB       MET  42 -12.714  15.678 -16.284
  313   1HG   MET  42          1HG       MET  42 -13.029  18.098 -16.674
  314   2HG   MET  42          2HG       MET  42 -11.410  18.152 -17.340
  315   1HE   MET  42          1HE       MET  42 -10.665  17.334 -19.598
  316   2HE   MET  42          2HE       MET  42 -11.155  15.676 -19.105
  317   3HE   MET  42          3HE       MET  42 -11.682  16.335 -20.693
  318    H    ARG  43           H        ARG  43 -12.247  15.688 -12.776
  319    HA   ARG  43           HA       ARG  43 -11.155  13.100 -12.883
  320   1HB   ARG  43          1HB       ARG  43  -9.414  13.268 -11.160
  321   2HB   ARG  43          2HB       ARG  43  -8.971  14.180 -12.589
  322   1HG   ARG  43          1HG       ARG  43  -8.664  15.995 -11.291
  323   2HG   ARG  43          2HG       ARG  43 -10.371  15.973 -10.895
  324   1HD   ARG  43          1HD       ARG  43  -9.310  15.857  -8.806
  325   2HD   ARG  43          2HD       ARG  43  -9.735  14.192  -9.150
  326    HE   ARG  43           HE       ARG  43  -7.248  14.402 -10.232
  327   1HH1  ARG  43          1HH2      ARG  43  -8.422  15.141  -7.026
  328   2HH1  ARG  43          2HH2      ARG  43  -6.867  14.819  -6.294
  329   1HH2  ARG  43          1HH1      ARG  43  -5.309  14.014  -9.250
  330   2HH2  ARG  43          2HH1      ARG  43  -5.155  14.198  -7.517
  331    H    GLU  44           H        GLU  44 -11.906  11.880 -11.206
  332    HA   GLU  44           HA       GLU  44 -12.853  12.758  -8.691
  333   1HB   GLU  44          1HB       GLU  44 -15.312  12.425  -9.164
  334   2HB   GLU  44          2HB       GLU  44 -14.644  13.935  -9.751
  335   1HG   GLU  44          1HG       GLU  44 -14.842  11.641 -11.640
  336   2HG   GLU  44          2HG       GLU  44 -16.302  12.516 -11.223
  337    H    GLU  45           H        GLU  45 -13.657  10.986  -7.574
  338    HA   GLU  45           HA       GLU  45 -14.596   8.563  -8.161
  339   1HB   GLU  45          1HB       GLU  45 -11.830   8.682  -9.124
  340   2HB   GLU  45          2HB       GLU  45 -12.181   7.308  -8.094
  341   1HG   GLU  45          1HG       GLU  45 -14.175   7.949 -10.215
  342   2HG   GLU  45          2HG       GLU  45 -12.652   7.262 -10.743
  343    H    ASP  46           H        ASP  46 -14.405   7.005  -6.527
  344    HA   ASP  46           HA       ASP  46 -13.318   8.005  -3.961
  345   1HB   ASP  46          1HB       ASP  46 -15.904   7.467  -4.404
  346   2HB   ASP  46          2HB       ASP  46 -15.360   5.868  -3.938
  347    H    HIS  47           H        HIS  47 -12.810   6.202  -2.353
  348    HA   HIS  47           HA       HIS  47 -11.698   3.833  -3.739
  349   1HB   HIS  47          1HB       HIS  47 -10.177   5.510  -1.789
  350   2HB   HIS  47          2HB       HIS  47  -9.609   4.056  -2.585
  351    HD1  HIS  47           1HD      HIS  47 -10.493   4.925  -5.607
  352    HD2  HIS  47           2HD      HIS  47  -8.630   7.334  -2.702
  353    HE1  HIS  47           1HE      HIS  47  -9.209   6.743  -6.899
  354    HE2  HIS  47           2HE      HIS  47  -8.007   8.161  -5.116
  355    H    LYS  48           H        LYS  48 -12.171   2.059  -2.812
  356    HA   LYS  48           HA       LYS  48 -12.241   1.546  -0.014
  357   1HB   LYS  48          1HB       LYS  48 -14.502   2.870  -0.760
  358   2HB   LYS  48          2HB       LYS  48 -15.004   1.203  -0.958
  359   1HG   LYS  48          1HG       LYS  48 -15.202   0.953   1.266
  360   2HG   LYS  48          2HG       LYS  48 -13.548   1.474   1.505
  361   1HD   LYS  48          1HD       LYS  48 -14.765   3.048   2.730
  362   2HD   LYS  48          2HD       LYS  48 -14.507   3.868   1.203
  363   1HE   LYS  48          1HE       LYS  48 -16.770   2.721   0.545
  364   2HE   LYS  48          2HE       LYS  48 -16.998   2.626   2.280
  365   1HZ   LYS  48          1HZ       LYS  48 -16.720   4.998   2.398
  366   2HZ   LYS  48          2HZ       LYS  48 -16.505   5.087   0.758
  367   3HZ   LYS  48          3HZ       LYS  48 -17.965   4.611   1.376
  368    H    GLN  49           H        GLN  49 -13.840   0.607  -3.008
  369    HA   GLN  49           HA       GLN  49 -13.027  -2.200  -2.568
  370   1HB   GLN  49          1HB       GLN  49 -15.445  -1.034  -3.472
  371   2HB   GLN  49          2HB       GLN  49 -14.769  -1.982  -4.781
  372   1HG   GLN  49          1HG       GLN  49 -14.518  -3.899  -3.282
  373   2HG   GLN  49          2HG       GLN  49 -15.149  -2.953  -1.950
  374   1HE2  GLN  49          2HE2      GLN  49 -16.062  -5.404  -3.790
  375   2HE2  GLN  49          1HE2      GLN  49 -17.754  -5.032  -4.029
  376    H    LEU  50           H        LEU  50 -12.537   0.541  -4.783
  377    HA   LEU  50           HA       LEU  50 -11.350  -0.918  -6.907
  378   1HB   LEU  50          1HB       LEU  50 -11.061   1.828  -5.775
  379   2HB   LEU  50          2HB       LEU  50 -10.069   1.313  -7.124
  380    HG   LEU  50           HG       LEU  50 -13.053   0.975  -7.198
  381   1HD1  LEU  50          1HD1      LEU  50 -12.549   3.319  -6.644
  382   2HD1  LEU  50          2HD1      LEU  50 -11.398   3.376  -8.024
  383   3HD1  LEU  50          3HD1      LEU  50 -13.156   3.160  -8.329
  384   1HD2  LEU  50          1HD2      LEU  50 -10.954   1.424  -9.367
  385   2HD2  LEU  50          2HD2      LEU  50 -11.673  -0.169  -8.947
  386   3HD2  LEU  50          3HD2      LEU  50 -12.706   1.129  -9.640
  387    H    CYS  51           H        CYS  51 -10.083  -0.102  -3.742
  388    HA   CYS  51           HA       CYS  51  -7.431  -1.026  -4.420
  389   1HB   CYS  51          1HB       CYS  51  -6.817  -0.373  -2.396
  390   2HB   CYS  51          2HB       CYS  51  -8.257   0.604  -2.597
  391    H    CYS  52           H        CYS  52 -10.054  -2.397  -2.432
  392    HA   CYS  52           HA       CYS  52  -8.840  -4.953  -2.203
  393   1HB   CYS  52          1HB       CYS  52 -11.335  -3.716  -1.344
  394   2HB   CYS  52          2HB       CYS  52 -11.375  -5.458  -1.528
  395    H    MET  53           H        MET  53  -9.986  -3.619  -4.913
  396    HA   MET  53           HA       MET  53 -11.402  -5.804  -6.159
  397   1HB   MET  53          1HB       MET  53 -12.043  -3.614  -6.850
  398   2HB   MET  53          2HB       MET  53 -10.380  -3.150  -7.148
  399   1HG   MET  53          1HG       MET  53 -11.744  -3.601  -9.206
  400   2HG   MET  53          2HG       MET  53 -10.255  -4.516  -9.088
  401   1HE   MET  53          1HE       MET  53 -10.678  -6.490 -10.672
  402   2HE   MET  53          2HE       MET  53 -10.046  -7.059  -9.088
  403   3HE   MET  53          3HE       MET  53 -11.377  -7.955  -9.899
  404    H    GLN  54           H        GLN  54  -8.575  -4.058  -7.381
  405    HA   GLN  54           HA       GLN  54  -7.548  -6.415  -8.648
  406   1HB   GLN  54          1HB       GLN  54  -7.030  -3.664  -8.741
  407   2HB   GLN  54          2HB       GLN  54  -5.522  -4.456  -8.333
  408   1HG   GLN  54          1HG       GLN  54  -5.263  -4.767 -10.535
  409   2HG   GLN  54          2HG       GLN  54  -6.498  -6.001 -10.396
  410   1HE2  GLN  54          2HE2      GLN  54  -6.256  -2.433 -10.619
  411   2HE2  GLN  54          1HE2      GLN  54  -7.618  -2.247 -11.700
  412    H    LEU  55           H        LEU  55  -7.238  -5.244  -5.425
  413    HA   LEU  55           HA       LEU  55  -4.859  -6.477  -4.621
  414   1HB   LEU  55          1HB       LEU  55  -7.392  -5.668  -3.435
  415   2HB   LEU  55          2HB       LEU  55  -6.615  -6.991  -2.589
  416    HG   LEU  55           HG       LEU  55  -5.229  -4.450  -3.330
  417   1HD1  LEU  55          1HD1      LEU  55  -7.020  -3.802  -1.825
  418   2HD1  LEU  55          2HD1      LEU  55  -6.520  -5.074  -0.657
  419   3HD1  LEU  55          3HD1      LEU  55  -5.435  -3.678  -0.985
  420   1HD2  LEU  55          1HD2      LEU  55  -4.416  -6.765  -1.539
  421   2HD2  LEU  55          2HD2      LEU  55  -3.732  -6.343  -3.147
  422   3HD2  LEU  55          3HD2      LEU  55  -3.470  -5.250  -1.744
  423    H    LYS  56           H        LYS  56  -8.010  -8.016  -5.313
  424    HA   LYS  56           HA       LYS  56  -7.037 -10.666  -4.592
  425   1HB   LYS  56          1HB       LYS  56  -9.427  -9.861  -4.456
  426   2HB   LYS  56          2HB       LYS  56  -9.481 -10.016  -6.200
  427   1HG   LYS  56          1HG       LYS  56  -9.235 -12.344  -6.127
  428   2HG   LYS  56          2HG       LYS  56  -8.566 -12.317  -4.507
  429   1HD   LYS  56          1HD       LYS  56 -10.754 -11.637  -3.621
  430   2HD   LYS  56          2HD       LYS  56 -11.420 -11.684  -5.241
  431   1HE   LYS  56          1HE       LYS  56 -11.663 -13.915  -5.168
  432   2HE   LYS  56          2HE       LYS  56 -10.022 -14.139  -4.597
  433   1HZ   LYS  56          1HZ       LYS  56 -10.782 -13.672  -2.379
  434   2HZ   LYS  56          2HZ       LYS  56 -12.333 -13.462  -2.919
  435   3HZ   LYS  56          3HZ       LYS  56 -11.617 -14.951  -3.019
  436    H    ASN  57           H        ASN  57  -6.873  -8.751  -7.478
  437    HA   ASN  57           HA       ASN  57  -6.304 -10.862  -9.351
  438   1HB   ASN  57          1HB       ASN  57  -6.273  -7.969  -9.276
  439   2HB   ASN  57          2HB       ASN  57  -4.899  -8.606 -10.157
  440   1HD2  ASN  57          2HD2      ASN  57  -8.109  -7.701 -10.378
  441   2HD2  ASN  57          1HD2      ASN  57  -8.502  -8.505 -11.880
  442    H    LEU  58           H        LEU  58  -4.389  -9.321  -6.856
  443    HA   LEU  58           HA       LEU  58  -1.859 -10.324  -7.854
  444   1HB   LEU  58          1HB       LEU  58  -2.838  -8.755  -5.551
  445   2HB   LEU  58          2HB       LEU  58  -1.363  -9.667  -5.298
  446    HG   LEU  58           HG       LEU  58  -1.821  -7.691  -7.536
  447   1HD1  LEU  58          1HD1      LEU  58  -1.618  -6.645  -5.299
  448   2HD1  LEU  58          2HD1      LEU  58  -0.104  -7.576  -5.030
  449   3HD1  LEU  58          3HD1      LEU  58  -0.170  -6.321  -6.315
  450   1HD2  LEU  58          1HD2      LEU  58   0.692  -9.165  -6.633
  451   2HD2  LEU  58          2HD2      LEU  58  -0.235  -9.530  -8.129
  452   3HD2  LEU  58          3HD2      LEU  58   0.601  -7.949  -7.954
  453    H    ASP  59           H        ASP  59  -0.483 -11.755  -6.555
  454    HA   ASP  59           HA       ASP  59  -1.886 -14.230  -5.976
  455   1HB   ASP  59          1HB       ASP  59   0.689 -13.455  -6.660
  456   2HB   ASP  59          2HB       ASP  59   0.845 -14.038  -5.015
  457    H    GLU  60           H        GLU  60  -2.310 -15.178  -3.908
  458    HA   GLU  60           HA       GLU  60  -2.668 -13.532  -1.656
  459   1HB   GLU  60          1HB       GLU  60  -3.629 -15.815  -2.104
  460   2HB   GLU  60          2HB       GLU  60  -2.124 -16.463  -1.481
  461   1HG   GLU  60          1HG       GLU  60  -2.760 -16.109   0.648
  462   2HG   GLU  60          2HG       GLU  60  -3.232 -14.458   0.301
  463    H    LYS  61           H        LYS  61   0.093 -15.628  -2.402
  464    HA   LYS  61           HA       LYS  61   1.577 -14.958  -0.071
  465   1HB   LYS  61          1HB       LYS  61   3.354 -16.041  -1.015
  466   2HB   LYS  61          2HB       LYS  61   1.984 -16.788  -1.812
  467   1HG   LYS  61          1HG       LYS  61   2.419 -14.860  -3.587
  468   2HG   LYS  61          2HG       LYS  61   4.039 -14.943  -2.924
  469   1HD   LYS  61          1HD       LYS  61   4.087 -17.358  -3.381
  470   2HD   LYS  61          2HD       LYS  61   2.485 -17.246  -4.081
  471   1HE   LYS  61          1HE       LYS  61   3.446 -15.454  -5.629
  472   2HE   LYS  61          2HE       LYS  61   5.027 -15.962  -5.071
  473   1HZ   LYS  61          1HZ       LYS  61   4.534 -18.167  -5.831
  474   2HZ   LYS  61          2HZ       LYS  61   3.040 -17.687  -6.359
  475   3HZ   LYS  61          3HZ       LYS  61   4.404 -17.085  -7.078
  476    H    CYS  62           H        CYS  62   1.202 -13.144  -3.071
  477    HA   CYS  62           HA       CYS  62   3.175 -11.121  -2.437
  478   1HB   CYS  62          1HB       CYS  62   0.874 -11.040  -4.357
  479   2HB   CYS  62          2HB       CYS  62   2.219  -9.918  -4.301
  480    H    MET  63           H        MET  63  -0.083 -11.765  -1.359
  481    HA   MET  63           HA       MET  63  -0.709  -9.001  -0.676
  482   1HB   MET  63          1HB       MET  63  -2.087 -11.563   0.033
  483   2HB   MET  63          2HB       MET  63  -2.724  -9.949   0.279
  484   1HG   MET  63          1HG       MET  63  -2.441  -9.689  -2.261
  485   2HG   MET  63          2HG       MET  63  -2.318 -11.437  -2.277
  486   1HE   MET  63          1HE       MET  63  -4.301 -13.113  -1.579
  487   2HE   MET  63          2HE       MET  63  -4.414 -12.290   0.016
  488   3HE   MET  63          3HE       MET  63  -5.892 -12.526  -0.980
  489    H    CYS  64           H        CYS  64   1.352  -8.827   0.544
  490    HA   CYS  64           HA       CYS  64   1.243  -8.505   3.232
  491   1HB   CYS  64          1HB       CYS  64   1.004 -10.573   4.075
  492   2HB   CYS  64          2HB       CYS  64   1.763 -11.345   2.697
  493    HA   PRO  65           HA       PRO  65   5.838  -8.606   2.117
  494   1HB   PRO  65          1HB       PRO  65   6.663  -9.872  -0.170
  495   2HB   PRO  65          2HB       PRO  65   6.645 -10.637   1.406
  496   1HG   PRO  65          1HG       PRO  65   4.854 -11.057  -0.880
  497   2HG   PRO  65          2HG       PRO  65   5.172 -12.108   0.486
  498   1HD   PRO  65          1HD       PRO  65   2.928 -10.421   0.118
  499   2HD   PRO  65          2HD       PRO  65   3.323 -11.357   1.545
  500    H    ALA  66           H        ALA  66   3.686  -8.626  -0.772
  501    HA   ALA  66           HA       ALA  66   5.108  -6.528  -2.103
  502   1HB   ALA  66          1HB       ALA  66   3.636  -8.003  -3.372
  503   2HB   ALA  66          2HB       ALA  66   2.224  -7.410  -2.429
  504   3HB   ALA  66          3HB       ALA  66   3.103  -6.294  -3.529
  505    H    ILE  67           H        ILE  67   2.119  -6.442  -0.064
  506    HA   ILE  67           HA       ILE  67   1.562  -3.774  -0.005
  507    HB   ILE  67           HB       ILE  67   1.671  -5.622   2.322
  508   1HG1  ILE  67          1HG1      ILE  67  -0.065  -5.225   0.083
  509   2HG1  ILE  67          2HG1      ILE  67  -0.006  -6.541   1.238
  510   1HG2  ILE  67          1HG2      ILE  67   1.856  -3.381   3.271
  511   2HG2  ILE  67          2HG2      ILE  67   0.444  -2.840   2.299
  512   3HG2  ILE  67          3HG2      ILE  67   0.226  -4.061   3.601
  513   1HD1  ILE  67          1HD1      ILE  67  -1.479  -5.308   2.752
  514   2HD1  ILE  67          2HD1      ILE  67  -1.539  -3.958   1.567
  515   3HD1  ILE  67          3HD1      ILE  67  -2.230  -5.562   1.138
  516    H    MET  68           H        MET  68   4.035  -5.178   2.204
  517    HA   MET  68           HA       MET  68   5.161  -2.971   3.331
  518   1HB   MET  68          1HB       MET  68   6.488  -5.327   2.052
  519   2HB   MET  68          2HB       MET  68   7.418  -4.093   2.878
  520   1HG   MET  68          1HG       MET  68   6.301  -4.508   4.929
  521   2HG   MET  68          2HG       MET  68   5.115  -5.532   4.145
  522   1HE   MET  68          1HE       MET  68   7.757  -5.599   6.517
  523   2HE   MET  68          2HE       MET  68   6.297  -6.636   6.665
  524   3HE   MET  68          3HE       MET  68   7.929  -7.387   6.604
  525    H    MET  69           H        MET  69   6.317  -4.113   0.129
  526    HA   MET  69           HA       MET  69   7.743  -1.772  -0.484
  527   1HB   MET  69          1HB       MET  69   6.510  -3.933  -2.095
  528   2HB   MET  69          2HB       MET  69   7.346  -2.596  -2.858
  529   1HG   MET  69          1HG       MET  69   8.513  -4.488  -0.857
  530   2HG   MET  69          2HG       MET  69   8.799  -4.509  -2.586
  531   1HE   MET  69          1HE       MET  69  11.194  -4.613  -0.763
  532   2HE   MET  69          2HE       MET  69  11.299  -4.414  -2.546
  533   3HE   MET  69          3HE       MET  69  12.261  -3.349  -1.464
  534    H    MET  70           H        MET  70   4.321  -2.519  -1.249
  535    HA   MET  70           HA       MET  70   3.703  -0.377  -2.940
  536   1HB   MET  70          1HB       MET  70   1.825  -1.562  -2.783
  537   2HB   MET  70          2HB       MET  70   2.272  -2.201  -1.215
  538   1HG   MET  70          1HG       MET  70   1.491   0.455  -0.782
  539   2HG   MET  70          2HG       MET  70   0.311  -0.227  -1.882
  540   1HE   MET  70          1HE       MET  70   0.032   0.996   1.241
  541   2HE   MET  70          2HE       MET  70  -1.374   0.639   0.179
  542   3HE   MET  70          3HE       MET  70  -1.286  -0.080   1.825
  543    H    LEU  71           H        LEU  71   4.216  -0.392   0.563
  544    HA   LEU  71           HA       LEU  71   3.453   2.452   0.670
  545   1HB   LEU  71          1HB       LEU  71   4.126   0.587   2.895
  546   2HB   LEU  71          2HB       LEU  71   3.599   2.249   3.073
  547    HG   LEU  71           HG       LEU  71   1.784   0.760   1.447
  548   1HD1  LEU  71          1HD1      LEU  71   2.477  -1.207   2.651
  549   2HD1  LEU  71          2HD1      LEU  71   2.211  -0.358   4.213
  550   3HD1  LEU  71          3HD1      LEU  71   0.815  -0.723   3.139
  551   1HD2  LEU  71          1HD2      LEU  71   1.360   2.113   4.103
  552   2HD2  LEU  71          2HD2      LEU  71   1.126   2.839   2.475
  553   3HD2  LEU  71          3HD2      LEU  71   0.068   1.490   3.018
  554    H    ASN  72           H        ASN  72   5.980   1.372  -0.538
  555    HA   ASN  72           HA       ASN  72   7.992   3.023   0.864
  556   1HB   ASN  72          1HB       ASN  72   8.198   0.217  -0.142
  557   2HB   ASN  72          2HB       ASN  72   9.611   1.214   0.141
  558   1HD2  ASN  72          2HD2      ASN  72  10.622   0.308   1.835
  559   2HD2  ASN  72          1HD2      ASN  72   9.858  -0.045   3.368
  560    H    GLU  73           H        GLU  73   6.202   2.927  -1.763
  561    HA   GLU  73           HA       GLU  73   8.170   3.153  -3.897
  562   1HB   GLU  73          1HB       GLU  73   5.436   4.006  -4.458
  563   2HB   GLU  73          2HB       GLU  73   6.456   2.862  -5.308
  564   1HG   GLU  73          1HG       GLU  73   5.897   1.259  -3.423
  565   2HG   GLU  73          2HG       GLU  73   4.612   2.384  -3.032
  566    HA   PRO  74           HA       PRO  74   8.442   7.599  -4.080
  567   1HB   PRO  74          1HB       PRO  74   7.684   8.355  -6.599
  568   2HB   PRO  74          2HB       PRO  74   9.248   7.690  -6.176
  569   1HG   PRO  74          1HG       PRO  74   7.028   6.420  -7.628
  570   2HG   PRO  74          2HG       PRO  74   8.721   5.971  -7.589
  571   1HD   PRO  74          1HD       PRO  74   6.586   4.789  -6.135
  572   2HD   PRO  74          2HD       PRO  74   8.290   4.391  -6.043
  573    H    MET  75           H        MET  75   5.679   6.390  -3.425
  574    HA   MET  75           HA       MET  75   4.203   8.929  -3.318
  575   1HB   MET  75          1HB       MET  75   3.506   7.431  -5.267
  576   2HB   MET  75          2HB       MET  75   2.828   6.376  -4.044
  577   1HG   MET  75          1HG       MET  75   0.996   7.655  -4.151
  578   2HG   MET  75          2HG       MET  75   1.927   8.855  -3.279
  579   1HE   MET  75          1HE       MET  75   0.659   7.580  -6.700
  580   2HE   MET  75          2HE       MET  75  -0.546   8.508  -5.742
  581   3HE   MET  75          3HE       MET  75   0.042   9.154  -7.313
  582    H    TRP  76           H        TRP  76   5.672   6.813  -1.468
  583    HA   TRP  76           HA       TRP  76   3.842   7.070   0.764
  584   1HB   TRP  76          1HB       TRP  76   4.529   4.360  -0.338
  585   2HB   TRP  76          2HB       TRP  76   3.825   4.637   1.243
  586    HD1  TRP  76           HD       TRP  76   2.897   3.841  -2.193
  587    HE1  TRP  76           1HE      TRP  76   0.373   4.124  -2.594
  588    HE3  TRP  76           3HE      TRP  76   1.778   6.863   1.766
  589    HZ2  TRP  76           2HZ      TRP  76  -1.723   5.856  -1.608
  590    HZ3  TRP  76           3HZ      TRP  76  -0.449   7.920   1.935
  591    HH2  TRP  76           HH       TRP  76  -2.242   7.352   0.323
  592    H    ILE  77           H        ILE  77   5.628   8.425   1.419
  593    HA   ILE  77           HA       ILE  77   8.101   6.907   2.078
  594    HB   ILE  77           HB       ILE  77   7.829   9.762   1.324
  595   1HG1  ILE  77          1HG1      ILE  77   9.470   9.433  -0.322
  596   2HG1  ILE  77          2HG1      ILE  77   9.818   7.816   0.255
  597   1HG2  ILE  77          1HG2      ILE  77   9.315   9.835   3.256
  598   2HG2  ILE  77          2HG2      ILE  77  10.327   8.536   2.534
  599   3HG2  ILE  77          3HG2      ILE  77  10.233  10.145   1.741
  600   1HD1  ILE  77          1HD1      ILE  77   7.596   7.067  -0.436
  601   2HD1  ILE  77          2HD1      ILE  77   7.239   8.727  -1.027
  602   3HD1  ILE  77          3HD1      ILE  77   8.529   7.751  -1.812
  603    H    ARG  78           H        ARG  78   7.166  10.047   3.301
  604    HA   ARG  78           HA       ARG  78   7.286   9.015   6.062
  605   1HB   ARG  78          1HB       ARG  78   7.276  11.824   5.051
  606   2HB   ARG  78          2HB       ARG  78   7.349  11.357   6.738
  607   1HG   ARG  78          1HG       ARG  78   9.433  11.143   4.632
  608   2HG   ARG  78          2HG       ARG  78   9.544  11.824   6.242
  609   1HD   ARG  78          1HD       ARG  78   9.456   8.906   5.513
  610   2HD   ARG  78          2HD       ARG  78  10.816   9.789   6.177
  611    HE   ARG  78           HE       ARG  78   8.506   9.928   7.885
  612   1HH1  ARG  78          1HH2      ARG  78  11.153   7.819   7.078
  613   2HH1  ARG  78          2HH2      ARG  78  11.100   7.008   8.628
  614   1HH2  ARG  78          1HH1      ARG  78   8.484   8.868   9.854
  615   2HH2  ARG  78          2HH1      ARG  78   9.635   7.585  10.152
  616    H    MET  79           H        MET  79   5.201  11.044   4.059
  617    HA   MET  79           HA       MET  79   2.929  11.079   5.651
  618   1HB   MET  79          1HB       MET  79   1.766  10.882   3.380
  619   2HB   MET  79          2HB       MET  79   2.804  12.254   3.711
  620   1HG   MET  79          1HG       MET  79   4.474  11.491   2.289
  621   2HG   MET  79          2HG       MET  79   3.844   9.856   2.273
  622   1HE   MET  79          1HE       MET  79   3.008   8.875   0.500
  623   2HE   MET  79          2HE       MET  79   1.525   9.281   1.431
  624   3HE   MET  79          3HE       MET  79   1.539   9.456  -0.359
  625    H    ARG  80           H        ARG  80   4.247   8.258   3.900
  626    HA   ARG  80           HA       ARG  80   1.928   6.630   4.396
  627   1HB   ARG  80          1HB       ARG  80   3.151   4.889   3.536
  628   2HB   ARG  80          2HB       ARG  80   3.804   6.300   2.727
  629   1HG   ARG  80          1HG       ARG  80   5.803   5.428   3.335
  630   2HG   ARG  80          2HG       ARG  80   5.444   6.166   4.883
  631   1HD   ARG  80          1HD       ARG  80   4.771   4.129   5.821
  632   2HD   ARG  80          2HD       ARG  80   4.623   3.361   4.253
  633    HE   ARG  80           HE       ARG  80   7.299   4.295   5.032
  634   1HH1  ARG  80          1HH2      ARG  80   5.115   1.517   4.766
  635   2HH1  ARG  80          2HH2      ARG  80   6.456   0.395   4.709
  636   1HH2  ARG  80          1HH1      ARG  80   8.896   2.743   4.876
  637   2HH2  ARG  80          2HH1      ARG  80   8.466   1.051   4.767
  638    H    ASP  81           H        ASP  81   4.461   7.607   6.547
  639    HA   ASP  81           HA       ASP  81   4.662   5.357   8.198
  640   1HB   ASP  81          1HB       ASP  81   5.754   7.727   8.162
  641   2HB   ASP  81          2HB       ASP  81   4.541   8.066   9.380
  642    H    GLN  82           H        GLN  82   2.094   7.562   7.849
  643    HA   GLN  82           HA       GLN  82   0.561   6.618  10.154
  644   1HB   GLN  82          1HB       GLN  82   0.018   8.670   8.038
  645   2HB   GLN  82          2HB       GLN  82  -0.924   8.419   9.494
  646   1HG   GLN  82          1HG       GLN  82   0.323   9.961  10.499
  647   2HG   GLN  82          2HG       GLN  82   1.695   8.878  10.371
  648   1HE2  GLN  82          2HE2      GLN  82   3.107   9.097   8.432
  649   2HE2  GLN  82          1HE2      GLN  82   3.200  10.654   7.641
  650    H    VAL  83           H        VAL  83   0.478   6.602   6.592
  651    HA   VAL  83           HA       VAL  83  -2.033   5.225   6.373
  652    HB   VAL  83           HB       VAL  83  -1.810   5.226   4.150
  653   1HG1  VAL  83          1HG1      VAL  83  -1.765   7.543   4.752
  654   2HG1  VAL  83          2HG1      VAL  83   0.028   7.502   4.868
  655   3HG1  VAL  83          3HG1      VAL  83  -0.775   7.270   3.277
  656   1HG2  VAL  83          1HG2      VAL  83   1.176   5.055   4.338
  657   2HG2  VAL  83          2HG2      VAL  83   0.023   3.751   3.886
  658   3HG2  VAL  83          3HG2      VAL  83   0.231   5.180   2.814
  659    H    MET  84           H        MET  84   1.108   4.212   7.136
  660    HA   MET  84           HA       MET  84   1.172   1.503   6.302
  661   1HB   MET  84          1HB       MET  84   2.755   3.297   7.888
  662   2HB   MET  84          2HB       MET  84   2.582   1.768   8.724
  663   1HG   MET  84          1HG       MET  84   3.186   0.718   6.456
  664   2HG   MET  84          2HG       MET  84   3.779   2.315   6.048
  665   1HE   MET  84          1HE       MET  84   5.687   3.631   7.584
  666   2HE   MET  84          2HE       MET  84   4.752   3.261   9.076
  667   3HE   MET  84          3HE       MET  84   6.498   2.840   8.980
  668    H    SER  85           H        SER  85   0.312   3.024   9.411
  669    HA   SER  85           HA       SER  85  -0.848   0.602  10.487
  670   1HB   SER  85          1HB       SER  85   0.018   2.986  11.567
  671   2HB   SER  85          2HB       SER  85  -1.720   3.030  11.779
  672    HG   SER  85           HG       SER  85  -0.660   1.866  13.469
  673    H    MET  86           H        MET  86  -1.969   2.350   8.019
  674    HA   MET  86           HA       MET  86  -4.818   1.988   8.758
  675   1HB   MET  86          1HB       MET  86  -3.364   3.815   6.926
  676   2HB   MET  86          2HB       MET  86  -5.066   3.481   6.677
  677   1HG   MET  86          1HG       MET  86  -3.867   4.590   9.203
  678   2HG   MET  86          2HG       MET  86  -4.710   5.526   7.987
  679   1HE   MET  86          1HE       MET  86  -6.197   6.377  10.234
  680   2HE   MET  86          2HE       MET  86  -7.005   6.364   8.628
  681   3HE   MET  86          3HE       MET  86  -7.868   5.729  10.072
  682    H    ALA  87           H        ALA  87  -2.662   1.681   5.968
  683    HA   ALA  87           HA       ALA  87  -4.213  -0.368   4.687
  684   1HB   ALA  87          1HB       ALA  87  -3.004   1.247   3.366
  685   2HB   ALA  87          2HB       ALA  87  -1.457   0.726   4.121
  686   3HB   ALA  87          3HB       ALA  87  -2.364  -0.406   3.059
  687    H    HIS  88           H        HIS  88  -2.998  -0.806   7.498
  688    HA   HIS  88           HA       HIS  88  -1.822  -3.456   6.930
  689   1HB   HIS  88          1HB       HIS  88  -0.990  -3.485   9.058
  690   2HB   HIS  88          2HB       HIS  88  -0.835  -1.807   8.575
  691    HD1  HIS  88           1HD      HIS  88  -1.135  -3.121  11.626
  692    HD2  HIS  88           2HD      HIS  88  -3.883  -0.866   9.361
  693    HE1  HIS  88           1HE      HIS  88  -2.765  -2.051  13.307
  694    HE2  HIS  88           2HE      HIS  88  -4.448  -0.701  11.910
  695    H    ASN  89           H        ASN  89  -4.753  -2.018   8.026
  696    HA   ASN  89           HA       ASN  89  -5.921  -4.626   8.743
  697   1HB   ASN  89          1HB       ASN  89  -6.428  -1.878   9.702
  698   2HB   ASN  89          2HB       ASN  89  -7.767  -3.007   9.651
  699   1HD2  ASN  89          2HD2      ASN  89  -4.382  -3.848  10.324
  700   2HD2  ASN  89          1HD2      ASN  89  -4.664  -4.326  11.984
  701    H    LEU  90           H        LEU  90  -6.237  -1.813   6.609
  702    HA   LEU  90           HA       LEU  90  -8.650  -2.497   5.344
  703   1HB   LEU  90          1HB       LEU  90  -6.126  -1.155   4.539
  704   2HB   LEU  90          2HB       LEU  90  -7.323  -1.509   3.310
  705    HG   LEU  90           HG       LEU  90  -8.072  -0.049   5.805
  706   1HD1  LEU  90          1HD1      LEU  90  -6.160   1.156   4.827
  707   2HD1  LEU  90          2HD1      LEU  90  -6.984   1.144   3.229
  708   3HD1  LEU  90          3HD1      LEU  90  -7.687   2.076   4.595
  709   1HD2  LEU  90          1HD2      LEU  90  -9.181  -0.125   2.981
  710   2HD2  LEU  90          2HD2      LEU  90  -9.863  -0.982   4.408
  711   3HD2  LEU  90          3HD2      LEU  90  -9.869   0.815   4.350
  712    HA   PRO  91           HA       PRO  91  -6.473  -5.529   2.480
  713   1HB   PRO  91          1HB       PRO  91  -3.947  -6.419   3.034
  714   2HB   PRO  91          2HB       PRO  91  -4.301  -5.109   1.925
  715   1HG   PRO  91          1HG       PRO  91  -3.173  -4.998   4.629
  716   2HG   PRO  91          2HG       PRO  91  -3.082  -3.814   3.340
  717   1HD   PRO  91          1HD       PRO  91  -4.782  -3.769   5.589
  718   2HD   PRO  91          2HD       PRO  91  -4.780  -2.658   4.234
  719    H    ILE  92           H        ILE  92  -5.395  -5.852   5.904
  720    HA   ILE  92           HA       ILE  92  -5.727  -8.666   6.056
  721    HB   ILE  92           HB       ILE  92  -5.800  -6.474   8.019
  722   1HG1  ILE  92          1HG1      ILE  92  -4.014  -8.645   7.164
  723   2HG1  ILE  92          2HG1      ILE  92  -3.671  -6.959   7.499
  724   1HG2  ILE  92          1HG2      ILE  92  -7.576  -7.885   8.901
  725   2HG2  ILE  92          2HG2      ILE  92  -6.507  -9.325   8.779
  726   3HG2  ILE  92          3HG2      ILE  92  -6.110  -8.006   9.934
  727   1HD1  ILE  92          1HD1      ILE  92  -3.718  -7.407   9.917
  728   2HD1  ILE  92          2HD1      ILE  92  -4.069  -9.136   9.574
  729   3HD1  ILE  92          3HD1      ILE  92  -2.497  -8.422   9.071
  730    H    GLU  93           H        GLU  93  -8.129  -6.118   6.590
  731    HA   GLU  93           HA       GLU  93 -10.334  -7.718   7.338
  732   1HB   GLU  93          1HB       GLU  93 -10.004  -4.979   6.216
  733   2HB   GLU  93          2HB       GLU  93 -11.609  -5.674   6.325
  734   1HG   GLU  93          1HG       GLU  93 -10.318  -6.074   8.826
  735   2HG   GLU  93          2HG       GLU  93 -10.098  -4.396   8.369
  736    H    CYS  94           H        CYS  94  -8.950  -7.096   4.194
  737    HA   CYS  94           HA       CYS  94 -11.170  -8.459   2.847
  738   1HB   CYS  94          1HB       CYS  94  -8.806  -6.891   2.077
  739   2HB   CYS  94          2HB       CYS  94  -9.385  -8.081   0.928
  740    H    ASN  95           H        ASN  95  -8.530  -9.504   4.562
  741    HA   ASN  95           HA       ASN  95  -7.568 -11.490   4.916
  742   1HB   ASN  95          1HB       ASN  95  -9.821 -12.366   4.018
  743   2HB   ASN  95          2HB       ASN  95  -8.860 -12.858   2.639
  744   1HD2  ASN  95          2HD2      ASN  95  -6.559 -13.866   3.646
  745   2HD2  ASN  95          1HD2      ASN  95  -6.904 -15.194   4.731
  746    H    LEU  96           H        LEU  96  -6.578  -9.430   3.030
  747    HA   LEU  96           HA       LEU  96  -5.157 -10.872   0.980
  748   1HB   LEU  96          1HB       LEU  96  -4.613  -8.049   1.844
  749   2HB   LEU  96          2HB       LEU  96  -4.336  -8.772   0.272
  750    HG   LEU  96           HG       LEU  96  -7.065  -8.418   1.527
  751   1HD1  LEU  96          1HD1      LEU  96  -5.946  -6.310   1.124
  752   2HD1  LEU  96          2HD1      LEU  96  -5.575  -6.827  -0.557
  753   3HD1  LEU  96          3HD1      LEU  96  -7.280  -6.551  -0.056
  754   1HD2  LEU  96          1HD2      LEU  96  -6.365  -8.985  -1.379
  755   2HD2  LEU  96          2HD2      LEU  96  -7.066 -10.186  -0.239
  756   3HD2  LEU  96          3HD2      LEU  96  -8.013  -8.730  -0.706
  757    H    MET  97           H        MET  97  -4.114  -9.024   3.773
  758    HA   MET  97           HA       MET  97  -1.765 -10.762   4.030
  759   1HB   MET  97          1HB       MET  97  -0.457  -8.981   4.750
  760   2HB   MET  97          2HB       MET  97  -1.329  -8.456   3.324
  761   1HG   MET  97          1HG       MET  97  -2.861  -7.206   4.652
  762   2HG   MET  97          2HG       MET  97  -2.162  -7.839   6.128
  763   1HE   MET  97          1HE       MET  97  -0.984  -6.373   7.577
  764   2HE   MET  97          2HE       MET  97   0.323  -7.394   6.884
  765   3HE   MET  97          3HE       MET  97   0.574  -5.625   7.085
  766    H    SER  98           H        SER  98  -4.388 -11.228   5.291
  767    HA   SER  98           HA       SER  98  -4.811 -10.422   7.829
  768   1HB   SER  98          1HB       SER  98  -6.049 -12.198   6.340
  769   2HB   SER  98          2HB       SER  98  -5.211 -13.325   7.388
  770    HG   SER  98           HG       SER  98  -7.213 -12.616   8.287
  771    H    GLN  99           H        GLN  99  -3.247 -13.515   7.336
  772    HA   GLN  99           HA       GLN  99  -0.977 -12.718   8.881
  773   1HB   GLN  99          1HB       GLN  99  -3.136 -13.698  10.343
  774   2HB   GLN  99          2HB       GLN  99  -2.005 -15.035  10.269
  775   1HG   GLN  99          1HG       GLN  99  -1.326 -12.248  11.175
  776   2HG   GLN  99          2HG       GLN  99  -1.664 -13.596  12.243
  777   1HE2  GLN  99          2HE2      GLN  99   0.351 -13.786  13.253
  778   2HE2  GLN  99          1HE2      GLN  99   1.815 -14.153  12.368
  779    HA   PRO 100           HA       PRO 100  -0.485 -16.148   5.795
  780   1HB   PRO 100          1HB       PRO 100   0.778 -14.832   3.746
  781   2HB   PRO 100          2HB       PRO 100  -0.953 -15.092   3.821
  782   1HG   PRO 100          1HG       PRO 100   0.575 -12.623   4.282
  783   2HG   PRO 100          2HG       PRO 100  -1.115 -12.816   3.861
  784   1HD   PRO 100          1HD       PRO 100  -0.055 -12.261   6.425
  785   2HD   PRO 100          2HD       PRO 100  -1.724 -12.624   6.033
  786    H    CYS 101           H        CYS 101   1.971 -13.552   5.534
  787    HA   CYS 101           HA       CYS 101   4.138 -15.410   5.991
  788   1HB   CYS 101          1HB       CYS 101   4.512 -12.496   6.234
  789   2HB   CYS 101          2HB       CYS 101   5.511 -13.693   5.434
  790    H    GLN 102           H        GLN 102   4.868 -16.084   7.911
  791    HA   GLN 102           HA       GLN 102   4.353 -14.480  10.352
  792   1HB   GLN 102          1HB       GLN 102   4.344 -17.481  10.037
  793   2HB   GLN 102          2HB       GLN 102   4.144 -16.624  11.552
  794   1HG   GLN 102          1HG       GLN 102   2.005 -16.063  11.113
  795   2HG   GLN 102          2HG       GLN 102   2.315 -15.810   9.408
  796   1HE2  GLN 102          2HE2      GLN 102   0.023 -17.072  10.729
  797   2HE2  GLN 102          1HE2      GLN 102  -0.070 -18.683  10.052
  798    H    MET 103           H        MET 103   5.845 -15.402  12.144
  799    HA   MET 103           HA       MET 103   8.543 -14.908  11.711
  800   1HB   MET 103          1HB       MET 103   6.912 -15.811  13.863
  801   2HB   MET 103          2HB       MET 103   8.365 -16.789  13.813
  802   1HG   MET 103          1HG       MET 103   9.644 -14.620  13.585
  803   2HG   MET 103          2HG       MET 103   8.148 -13.808  14.005
  804   1HE   MET 103          1HE       MET 103   7.529 -13.113  16.277
  805   2HE   MET 103          2HE       MET 103   6.750 -14.733  16.295
  806   3HE   MET 103          3HE       MET 103   7.708 -14.180  17.712
  Start of MODEL   16
    1    HA   PRO   1           HA       PRO   1  10.047  -5.381  11.113
    2   1HB   PRO   1          1HB       PRO   1   7.762  -4.246  10.163
    3   2HB   PRO   1          2HB       PRO   1   8.507  -3.851  11.698
    4   1HG   PRO   1          1HG       PRO   1   8.457  -2.284   9.209
    5   2HG   PRO   1          2HG       PRO   1   8.783  -1.743  10.843
    6   1HD   PRO   1          1HD       PRO   1  10.666  -2.306   8.790
    7   2HD   PRO   1          2HD       PRO   1  10.992  -1.809  10.438
    8    H    TYR   2           H        TYR   2  11.394  -6.531   9.326
    9    HA   TYR   2           HA       TYR   2   9.538  -7.419   7.207
   10   1HB   TYR   2          1HB       TYR   2  11.472  -7.355   5.616
   11   2HB   TYR   2          2HB       TYR   2  10.846  -5.792   6.101
   12    HD1  TYR   2           1HD      TYR   2  12.072  -4.528   7.978
   13    HD2  TYR   2           2HD      TYR   2  13.794  -7.845   5.830
   14    HE1  TYR   2           1HE      TYR   2  14.318  -3.885   8.826
   15    HE2  TYR   2           2HE      TYR   2  16.067  -7.124   6.560
   16    HH   TYR   2           HH       TYR   2  17.235  -5.615   7.735
   17    H    GLY   3           H        GLY   3  10.064  -8.732   9.618
   18   1HA   GLY   3          1HA       GLY   3  11.007 -10.610  10.577
   19   2HA   GLY   3          2HA       GLY   3  10.584 -11.331   9.037
   20    H    ARG   4           H        ARG   4  12.221 -12.587   8.419
   21    HA   ARG   4           HA       ARG   4  14.849 -11.318   8.042
   22   1HB   ARG   4          1HB       ARG   4  14.693 -12.671  10.225
   23   2HB   ARG   4          2HB       ARG   4  14.695 -14.079   9.182
   24   1HG   ARG   4          1HG       ARG   4  16.833 -13.554   8.307
   25   2HG   ARG   4          2HG       ARG   4  16.778 -11.922   8.943
   26   1HD   ARG   4          1HD       ARG   4  17.251 -12.600  11.099
   27   2HD   ARG   4          2HD       ARG   4  16.587 -14.203  10.850
   28    HE   ARG   4           HE       ARG   4  18.899 -13.817   9.212
   29   1HH1  ARG   4          1HH2      ARG   4  18.012 -14.400  12.553
   30   2HH1  ARG   4          2HH2      ARG   4  19.523 -15.207  12.913
   31   1HH2  ARG   4          1HH1      ARG   4  20.806 -14.873   9.718
   32   2HH2  ARG   4          2HH1      ARG   4  21.071 -15.468  11.341
   33    H    GLY   5           H        GLY   5  14.522 -11.226   5.843
   34   1HA   GLY   5          1HA       GLY   5  15.332 -13.424   4.313
   35   2HA   GLY   5          2HA       GLY   5  13.580 -13.434   4.294
   36    H    ARG   6           H        ARG   6  14.665 -13.151   1.926
   37    HA   ARG   6           HA       ARG   6  14.020 -10.360   1.236
   38   1HB   ARG   6          1HB       ARG   6  16.663 -11.296   1.290
   39   2HB   ARG   6          2HB       ARG   6  16.199 -11.291  -0.400
   40   1HG   ARG   6          1HG       ARG   6  16.192  -9.042  -0.498
   41   2HG   ARG   6          2HG       ARG   6  15.327  -8.899   1.019
   42   1HD   ARG   6          1HD       ARG   6  17.638  -9.598   2.055
   43   2HD   ARG   6          2HD       ARG   6  18.270  -9.009   0.530
   44    HE   ARG   6           HE       ARG   6  17.264  -7.428   2.715
   45   1HH1  ARG   6          1HH2      ARG   6  17.621  -7.444  -0.776
   46   2HH1  ARG   6          2HH2      ARG   6  17.527  -5.700  -0.885
   47   1HH2  ARG   6          1HH1      ARG   6  17.124  -5.204   2.508
   48   2HH2  ARG   6          2HH1      ARG   6  17.254  -4.465   0.928
   49    H    THR   7           H        THR   7  13.468 -10.052  -0.950
   50    HA   THR   7           HA       THR   7  12.824 -12.507  -2.451
   51    HB   THR   7           HB       THR   7  10.480 -11.545  -2.801
   52    HG1  THR   7           1HG      THR   7   9.809 -10.207  -1.063
   53   1HG2  THR   7          1HG2      THR   7  10.906 -13.501  -1.290
   54   2HG2  THR   7          2HG2      THR   7  11.243 -12.344   0.044
   55   3HG2  THR   7          3HG2      THR   7   9.596 -12.433  -0.674
   56    H    GLU   8           H        GLU   8  13.228 -12.307  -4.547
   57    HA   GLU   8           HA       GLU   8  14.285  -9.834  -5.551
   58   1HB   GLU   8          1HB       GLU   8  13.646 -12.452  -6.872
   59   2HB   GLU   8          2HB       GLU   8  14.379 -11.102  -7.715
   60   1HG   GLU   8          1HG       GLU   8  16.392 -11.378  -6.680
   61   2HG   GLU   8          2HG       GLU   8  15.663 -11.898  -5.173
   62    H    SER   9           H        SER   9  13.491  -9.289  -7.943
   63    HA   SER   9           HA       SER   9  11.062  -7.926  -7.727
   64   1HB   SER   9          1HB       SER   9  11.596  -8.651 -10.456
   65   2HB   SER   9          2HB       SER   9  11.660  -7.077  -9.689
   66    HG   SER   9           HG       SER   9  13.694  -7.719 -10.542
   67    H    GLY  10           H        GLY  10   9.052  -8.214  -8.909
   68   1HA   GLY  10          1HA       GLY  10   7.949 -10.200 -10.257
   69   2HA   GLY  10          2HA       GLY  10   8.209 -11.049  -8.747
   70    H    CYS  11           H        CYS  11   7.061 -10.358  -6.834
   71    HA   CYS  11           HA       CYS  11   4.409  -9.749  -7.109
   72   1HB   CYS  11          1HB       CYS  11   6.305  -9.292  -4.873
   73   2HB   CYS  11          2HB       CYS  11   4.637  -8.774  -4.734
   74    H    TYR  12           H        TYR  12   6.381  -7.257  -5.553
   75    HA   TYR  12           HA       TYR  12   5.007  -5.003  -6.080
   76   1HB   TYR  12          1HB       TYR  12   7.016  -4.877  -4.919
   77   2HB   TYR  12          2HB       TYR  12   7.921  -5.585  -6.242
   78    HD1  TYR  12           1HD      TYR  12   9.321  -4.217  -7.384
   79    HD2  TYR  12           2HD      TYR  12   5.684  -2.587  -5.710
   80    HE1  TYR  12           1HE      TYR  12   9.949  -1.966  -8.225
   81    HE2  TYR  12           2HE      TYR  12   6.242  -0.367  -6.703
   82    HH   TYR  12           HH       TYR  12   7.763   0.750  -8.130
   83    H    GLN  13           H        GLN  13   7.186  -6.513  -8.472
   84    HA   GLN  13           HA       GLN  13   7.005  -4.664 -10.527
   85   1HB   GLN  13          1HB       GLN  13   8.179  -7.027 -10.317
   86   2HB   GLN  13          2HB       GLN  13   6.784  -7.532 -11.249
   87   1HG   GLN  13          1HG       GLN  13   7.913  -6.875 -13.065
   88   2HG   GLN  13          2HG       GLN  13   7.643  -5.230 -12.524
   89   1HE2  GLN  13          2HE2      GLN  13   9.293  -4.116 -11.397
   90   2HE2  GLN  13          1HE2      GLN  13  10.939  -4.707 -11.356
   91    H    GLN  14           H        GLN  14   4.732  -7.408  -9.994
   92    HA   GLN  14           HA       GLN  14   2.911  -6.365 -12.004
   93   1HB   GLN  14          1HB       GLN  14   1.631  -8.247 -11.606
   94   2HB   GLN  14          2HB       GLN  14   3.270  -8.784 -11.304
   95   1HG   GLN  14          1HG       GLN  14   2.333  -7.869  -8.842
   96   2HG   GLN  14          2HG       GLN  14   0.996  -8.762  -9.540
   97   1HE2  GLN  14          2HE2      GLN  14   4.455  -9.442 -10.014
   98   2HE2  GLN  14          1HE2      GLN  14   4.448 -10.944  -9.119
   99    H    MET  15           H        MET  15   3.451  -5.733  -8.708
  100    HA   MET  15           HA       MET  15   0.810  -4.932  -7.931
  101   1HB   MET  15          1HB       MET  15   2.913  -5.557  -6.485
  102   2HB   MET  15          2HB       MET  15   3.257  -3.846  -6.637
  103   1HG   MET  15          1HG       MET  15   0.533  -4.039  -6.019
  104   2HG   MET  15          2HG       MET  15   1.352  -5.163  -4.953
  105   1HE   MET  15          1HE       MET  15   2.708  -4.649  -3.019
  106   2HE   MET  15          2HE       MET  15   3.981  -4.213  -4.211
  107   3HE   MET  15          3HE       MET  15   3.654  -3.135  -2.810
  108    H    GLU  16           H        GLU  16   3.783  -3.135  -8.823
  109    HA   GLU  16           HA       GLU  16   2.739  -0.549  -8.683
  110   1HB   GLU  16          1HB       GLU  16   4.653   0.146  -9.741
  111   2HB   GLU  16          2HB       GLU  16   5.155  -1.425  -9.150
  112   1HG   GLU  16          1HG       GLU  16   4.544  -2.356 -11.410
  113   2HG   GLU  16          2HG       GLU  16   4.331  -0.703 -11.952
  114    H    GLU  17           H        GLU  17   2.574  -2.934 -11.275
  115    HA   GLU  17           HA       GLU  17   1.416  -1.191 -13.221
  116   1HB   GLU  17          1HB       GLU  17   2.575  -3.528 -13.485
  117   2HB   GLU  17          2HB       GLU  17   0.948  -4.135 -13.253
  118   1HG   GLU  17          1HG       GLU  17   0.353  -3.553 -15.337
  119   2HG   GLU  17          2HG       GLU  17   0.964  -1.925 -15.116
  120    H    ALA  18           H        ALA  18   0.194  -2.966 -10.536
  121    HA   ALA  18           HA       ALA  18  -2.554  -2.157 -11.255
  122   1HB   ALA  18          1HB       ALA  18  -2.292  -4.575 -11.452
  123   2HB   ALA  18          2HB       ALA  18  -1.623  -4.641  -9.785
  124   3HB   ALA  18          3HB       ALA  18  -3.338  -4.170 -10.048
  125    H    GLU  19           H        GLU  19  -0.857  -0.397  -9.930
  126    HA   GLU  19           HA       GLU  19  -0.420  -0.461  -7.273
  127   1HB   GLU  19          1HB       GLU  19  -0.059   1.419  -9.045
  128   2HB   GLU  19          2HB       GLU  19  -1.541   2.059  -8.363
  129   1HG   GLU  19          1HG       GLU  19  -0.532   2.045  -6.126
  130   2HG   GLU  19          2HG       GLU  19   0.944   1.371  -6.787
  131    H    MET  20           H        MET  20  -1.843  -1.620  -6.074
  132    HA   MET  20           HA       MET  20  -4.683  -1.013  -6.236
  133   1HB   MET  20          1HB       MET  20  -4.877  -2.825  -4.613
  134   2HB   MET  20          2HB       MET  20  -3.925  -3.293  -6.008
  135   1HG   MET  20          1HG       MET  20  -1.924  -2.513  -4.537
  136   2HG   MET  20          2HG       MET  20  -3.051  -2.760  -3.218
  137   1HE   MET  20          1HE       MET  20  -0.753  -4.420  -2.551
  138   2HE   MET  20          2HE       MET  20  -2.363  -4.763  -1.828
  139   3HE   MET  20          3HE       MET  20  -1.380  -6.105  -2.509
  140    H    LEU  21           H        LEU  21  -1.959  -0.404  -4.189
  141    HA   LEU  21           HA       LEU  21  -3.544   0.890  -2.138
  142   1HB   LEU  21          1HB       LEU  21  -0.587   0.636  -2.461
  143   2HB   LEU  21          2HB       LEU  21  -1.417   1.258  -1.049
  144    HG   LEU  21           HG       LEU  21  -1.162  -0.809  -0.328
  145   1HD1  LEU  21          1HD1      LEU  21  -3.536  -0.752  -0.350
  146   2HD1  LEU  21          2HD1      LEU  21  -3.567  -1.407  -2.024
  147   3HD1  LEU  21          3HD1      LEU  21  -2.960  -2.424  -0.671
  148   1HD2  LEU  21          1HD2      LEU  21  -0.996  -1.864  -3.129
  149   2HD2  LEU  21          2HD2      LEU  21   0.350  -1.523  -1.987
  150   3HD2  LEU  21          3HD2      LEU  21  -0.808  -2.854  -1.640
  151    H    ASN  22           H        ASN  22  -3.155   1.802  -5.115
  152    HA   ASN  22           HA       ASN  22  -2.257   4.538  -4.663
  153   1HB   ASN  22          1HB       ASN  22  -1.789   3.619  -6.787
  154   2HB   ASN  22          2HB       ASN  22  -3.438   3.060  -6.987
  155   1HD2  ASN  22          2HD2      ASN  22  -1.914   6.138  -6.088
  156   2HD2  ASN  22          1HD2      ASN  22  -2.794   7.107  -7.248
  157    H    HIS  23           H        HIS  23  -5.173   2.745  -4.395
  158    HA   HIS  23           HA       HIS  23  -6.810   5.189  -4.643
  159   1HB   HIS  23          1HB       HIS  23  -7.899   2.419  -4.490
  160   2HB   HIS  23          2HB       HIS  23  -8.672   3.869  -5.098
  161    HD1  HIS  23           1HD      HIS  23  -8.986   3.674  -7.605
  162    HD2  HIS  23           2HD      HIS  23  -5.400   1.955  -6.203
  163    HE1  HIS  23           1HE      HIS  23  -7.746   2.767  -9.669
  164    HE2  HIS  23           2HE      HIS  23  -5.542   1.769  -8.802
  165    H    CYS  24           H        CYS  24  -6.582   2.201  -2.671
  166    HA   CYS  24           HA       CYS  24  -7.917   3.233  -0.427
  167   1HB   CYS  24          1HB       CYS  24  -6.210   0.999  -1.011
  168   2HB   CYS  24          2HB       CYS  24  -5.918   1.625   0.600
  169    H    GLY  25           H        GLY  25  -4.806   4.058  -1.652
  170   1HA   GLY  25          1HA       GLY  25  -3.566   5.070   0.662
  171   2HA   GLY  25          2HA       GLY  25  -3.255   5.562  -0.991
  172    H    MET  26           H        MET  26  -5.220   6.958  -1.925
  173    HA   MET  26           HA       MET  26  -5.248   9.451  -0.814
  174   1HB   MET  26          1HB       MET  26  -7.070   7.973  -2.557
  175   2HB   MET  26          2HB       MET  26  -7.799   9.336  -1.732
  176   1HG   MET  26          1HG       MET  26  -5.718  10.632  -2.563
  177   2HG   MET  26          2HG       MET  26  -5.565   9.312  -3.705
  178   1HE   MET  26          1HE       MET  26  -6.414   9.599  -5.978
  179   2HE   MET  26          2HE       MET  26  -7.621   8.481  -5.251
  180   3HE   MET  26          3HE       MET  26  -8.168   9.839  -6.296
  181    H    TYR  27           H        TYR  27  -7.805   7.010  -0.149
  182    HA   TYR  27           HA       TYR  27  -9.356   8.318   1.692
  183   1HB   TYR  27          1HB       TYR  27  -9.718   6.076   0.921
  184   2HB   TYR  27          2HB       TYR  27  -8.278   5.522   1.750
  185    HD1  TYR  27           1HD      TYR  27  -8.662   4.227   3.610
  186    HD2  TYR  27           2HD      TYR  27 -11.389   7.426   2.631
  187    HE1  TYR  27           1HE      TYR  27  -9.974   3.733   5.669
  188    HE2  TYR  27           2HE      TYR  27 -12.747   6.881   4.649
  189    HH   TYR  27           HH       TYR  27 -12.899   5.577   6.474
  190    H    LEU  28           H        LEU  28  -6.211   6.877   2.325
  191    HA   LEU  28           HA       LEU  28  -6.231   7.706   5.133
  192   1HB   LEU  28          1HB       LEU  28  -3.946   6.372   3.778
  193   2HB   LEU  28          2HB       LEU  28  -4.462   6.263   5.449
  194    HG   LEU  28           HG       LEU  28  -6.121   5.137   3.266
  195   1HD1  LEU  28          1HD1      LEU  28  -3.954   4.172   2.845
  196   2HD1  LEU  28          2HD1      LEU  28  -3.813   3.699   4.574
  197   3HD1  LEU  28          3HD1      LEU  28  -5.064   2.935   3.531
  198   1HD2  LEU  28          1HD2      LEU  28  -5.851   4.470   6.180
  199   2HD2  LEU  28          2HD2      LEU  28  -7.191   5.369   5.387
  200   3HD2  LEU  28          3HD2      LEU  28  -6.928   3.631   5.010
  201    H    MET  29           H        MET  29  -4.912   8.634   2.058
  202    HA   MET  29           HA       MET  29  -3.036  10.567   3.132
  203   1HB   MET  29          1HB       MET  29  -3.245   9.128   0.754
  204   2HB   MET  29          2HB       MET  29  -3.490  10.806   0.316
  205   1HG   MET  29          1HG       MET  29  -1.437  11.376   1.608
  206   2HG   MET  29          2HG       MET  29  -1.167   9.662   1.846
  207   1HE   MET  29          1HE       MET  29  -1.561  12.557  -0.736
  208   2HE   MET  29          2HE       MET  29   0.040  12.515   0.080
  209   3HE   MET  29          3HE       MET  29  -0.075  12.220  -1.690
  210    H    LYS  30           H        LYS  30  -6.204  10.635   3.149
  211    HA   LYS  30           HA       LYS  30  -6.650  13.231   1.894
  212   1HB   LYS  30          1HB       LYS  30  -8.257  10.996   2.513
  213   2HB   LYS  30          2HB       LYS  30  -8.877  12.348   3.440
  214   1HG   LYS  30          1HG       LYS  30  -8.501  13.580   1.081
  215   2HG   LYS  30          2HG       LYS  30  -8.793  11.952   0.502
  216   1HD   LYS  30          1HD       LYS  30 -10.987  12.390   0.690
  217   2HD   LYS  30          2HD       LYS  30 -10.762  12.365   2.428
  218   1HE   LYS  30          1HE       LYS  30  -9.930  14.870   1.915
  219   2HE   LYS  30          2HE       LYS  30 -11.066  14.672   0.596
  220   1HZ   LYS  30          1HZ       LYS  30 -12.734  14.070   2.188
  221   2HZ   LYS  30          2HZ       LYS  30 -11.660  14.257   3.434
  222   3HZ   LYS  30          3HZ       LYS  30 -12.119  15.568   2.534
  223    H    ASN  31           H        ASN  31  -5.824  11.927   4.925
  224    HA   ASN  31           HA       ASN  31  -6.267  14.521   6.283
  225   1HB   ASN  31          1HB       ASN  31  -5.779  11.784   7.437
  226   2HB   ASN  31          2HB       ASN  31  -6.056  13.248   8.358
  227   1HD2  ASN  31          2HD2      ASN  31  -8.090  13.977   8.702
  228   2HD2  ASN  31          1HD2      ASN  31  -9.526  13.179   8.102
  229    H    LEU  32           H        LEU  32  -3.909  12.458   4.913
  230    HA   LEU  32           HA       LEU  32  -1.718  13.262   6.597
  231   1HB   LEU  32          1HB       LEU  32  -1.871  11.943   3.910
  232   2HB   LEU  32          2HB       LEU  32  -0.355  12.293   4.714
  233    HG   LEU  32           HG       LEU  32  -2.545  10.651   5.946
  234   1HD1  LEU  32          1HD1      LEU  32  -1.743   9.560   3.903
  235   2HD1  LEU  32          2HD1      LEU  32  -0.048   9.750   4.474
  236   3HD1  LEU  32          3HD1      LEU  32  -1.182   8.674   5.363
  237   1HD2  LEU  32          1HD2      LEU  32   0.384  11.048   6.659
  238   2HD2  LEU  32          2HD2      LEU  32  -1.022  11.734   7.545
  239   3HD2  LEU  32          3HD2      LEU  32  -0.760   9.957   7.515
  240    H    GLY  33           H        GLY  33  -3.407  14.713   4.000
  241   1HA   GLY  33          1HA       GLY  33  -3.074  17.118   3.715
  242   2HA   GLY  33          2HA       GLY  33  -1.346  16.838   3.779
  243    H    GLU  34           H        GLU  34  -3.779  17.559   1.760
  244    HA   GLU  34           HA       GLU  34  -2.262  16.690  -0.584
  245   1HB   GLU  34          1HB       GLU  34  -4.070  14.931   0.094
  246   2HB   GLU  34          2HB       GLU  34  -5.177  16.077  -0.633
  247   1HG   GLU  34          1HG       GLU  34  -2.866  15.709  -2.318
  248   2HG   GLU  34          2HG       GLU  34  -3.607  14.162  -1.961
  249    H    ARG  35           H        ARG  35  -2.256  19.180   0.311
  250    HA   ARG  35           HA       ARG  35  -4.336  20.907  -0.391
  251   1HB   ARG  35          1HB       ARG  35  -1.680  21.173   0.426
  252   2HB   ARG  35          2HB       ARG  35  -1.788  22.059  -1.082
  253   1HG   ARG  35          1HG       ARG  35  -3.642  23.364  -0.244
  254   2HG   ARG  35          2HG       ARG  35  -3.711  22.398   1.216
  255   1HD   ARG  35          1HD       ARG  35  -1.780  23.332   2.088
  256   2HD   ARG  35          2HD       ARG  35  -1.161  23.774   0.510
  257    HE   ARG  35           HE       ARG  35  -3.542  25.238   1.027
  258   1HH1  ARG  35          1HH2      ARG  35  -0.206  25.128   2.088
  259   2HH1  ARG  35          2HH2      ARG  35  -0.183  26.826   2.507
  260   1HH2  ARG  35          1HH1      ARG  35  -3.458  27.412   1.568
  261   2HH2  ARG  35          2HH1      ARG  35  -1.984  28.091   2.220
  262    H    SER  36           H        SER  36  -5.318  21.383  -2.228
  263    HA   SER  36           HA       SER  36  -3.800  21.438  -4.730
  264   1HB   SER  36          1HB       SER  36  -4.751  19.088  -4.375
  265   2HB   SER  36          2HB       SER  36  -6.323  19.820  -4.626
  266    HG   SER  36           HG       SER  36  -5.401  19.034  -6.583
  267    H    GLN  37           H        GLN  37  -5.017  22.439  -6.483
  268    HA   GLN  37           HA       GLN  37  -7.493  23.792  -5.840
  269   1HB   GLN  37          1HB       GLN  37  -5.051  25.126  -5.271
  270   2HB   GLN  37          2HB       GLN  37  -5.783  25.906  -6.659
  271   1HG   GLN  37          1HG       GLN  37  -7.500  26.735  -5.437
  272   2HG   GLN  37          2HG       GLN  37  -7.668  25.264  -4.502
  273   1HE2  GLN  37          2HE2      GLN  37  -6.342  24.926  -2.660
  274   2HE2  GLN  37          1HE2      GLN  37  -5.566  26.273  -1.858
  275    H    VAL  38           H        VAL  38  -8.396  22.885  -7.585
  276    HA   VAL  38           HA       VAL  38  -7.422  23.900 -10.178
  277    HB   VAL  38           HB       VAL  38  -8.054  21.631 -11.135
  278   1HG1  VAL  38          1HG1      VAL  38  -5.756  22.454 -11.054
  279   2HG1  VAL  38          2HG1      VAL  38  -5.612  21.885  -9.355
  280   3HG1  VAL  38          3HG1      VAL  38  -5.812  20.694 -10.686
  281   1HG2  VAL  38          1HG2      VAL  38  -7.687  20.799  -8.235
  282   2HG2  VAL  38          2HG2      VAL  38  -9.211  20.692  -9.182
  283   3HG2  VAL  38          3HG2      VAL  38  -7.795  19.682  -9.639
  284    H    SER  39           H        SER  39  -9.220  23.406 -11.921
  285    HA   SER  39           HA       SER  39 -11.542  24.775 -11.456
  286   1HB   SER  39          1HB       SER  39 -10.667  22.855 -13.399
  287   2HB   SER  39          2HB       SER  39 -12.362  22.600 -13.035
  288    HG   SER  39           HG       SER  39 -12.044  24.127 -14.710
  289    HA   PRO  40           HA       PRO  40 -13.862  20.975  -9.769
  290   1HB   PRO  40          1HB       PRO  40 -12.474  18.660  -9.263
  291   2HB   PRO  40          2HB       PRO  40 -13.377  18.986 -10.728
  292   1HG   PRO  40          1HG       PRO  40 -10.464  18.943 -10.319
  293   2HG   PRO  40          2HG       PRO  40 -11.371  18.796 -11.811
  294   1HD   PRO  40          1HD       PRO  40 -10.056  21.104 -10.822
  295   2HD   PRO  40          2HD       PRO  40 -11.061  20.985 -12.253
  296    H    ARG  41           H        ARG  41 -13.525  19.325  -7.674
  297    HA   ARG  41           HA       ARG  41 -11.623  20.409  -5.784
  298   1HB   ARG  41          1HB       ARG  41 -13.725  21.962  -5.912
  299   2HB   ARG  41          2HB       ARG  41 -14.461  20.709  -4.933
  300   1HG   ARG  41          1HG       ARG  41 -12.833  20.982  -3.209
  301   2HG   ARG  41          2HG       ARG  41 -11.830  21.995  -4.228
  302   1HD   ARG  41          1HD       ARG  41 -14.406  23.168  -4.162
  303   2HD   ARG  41          2HD       ARG  41 -13.979  22.772  -2.509
  304    HE   ARG  41           HE       ARG  41 -11.745  23.997  -3.725
  305   1HH1  ARG  41          1HH2      ARG  41 -14.960  24.879  -2.675
  306   2HH1  ARG  41          2HH2      ARG  41 -14.516  26.545  -2.385
  307   1HH2  ARG  41          1HH1      ARG  41 -11.216  26.144  -3.337
  308   2HH2  ARG  41          2HH1      ARG  41 -12.441  27.247  -2.752
  309    H    MET  42           H        MET  42 -14.773  18.800  -5.757
  310    HA   MET  42           HA       MET  42 -13.586  16.322  -4.756
  311   1HB   MET  42          1HB       MET  42 -15.680  17.753  -3.134
  312   2HB   MET  42          2HB       MET  42 -14.901  16.233  -2.746
  313   1HG   MET  42          1HG       MET  42 -12.729  17.513  -2.702
  314   2HG   MET  42          2HG       MET  42 -13.698  18.973  -2.754
  315   1HE   MET  42          1HE       MET  42 -13.084  20.159  -0.660
  316   2HE   MET  42          2HE       MET  42 -14.869  20.059  -0.848
  317   3HE   MET  42          3HE       MET  42 -14.120  19.807   0.767
  318    H    ARG  43           H        ARG  43 -14.469  14.869  -6.067
  319    HA   ARG  43           HA       ARG  43 -17.287  14.423  -6.094
  320   1HB   ARG  43          1HB       ARG  43 -16.709  16.430  -7.800
  321   2HB   ARG  43          2HB       ARG  43 -16.458  15.057  -8.860
  322   1HG   ARG  43          1HG       ARG  43 -18.670  14.674  -9.019
  323   2HG   ARG  43          2HG       ARG  43 -18.874  14.756  -7.281
  324   1HD   ARG  43          1HD       ARG  43 -20.072  16.618  -7.796
  325   2HD   ARG  43          2HD       ARG  43 -18.486  17.363  -7.811
  326    HE   ARG  43           HE       ARG  43 -19.021  16.305 -10.385
  327   1HH1  ARG  43          1HH2      ARG  43 -20.069  18.943  -8.328
  328   2HH1  ARG  43          2HH2      ARG  43 -20.537  19.940  -9.687
  329   1HH2  ARG  43          1HH1      ARG  43 -19.650  17.620 -12.086
  330   2HH2  ARG  43          2HH1      ARG  43 -20.306  19.209 -11.764
  331    H    GLU  44           H        GLU  44 -16.652  12.359  -5.533
  332    HA   GLU  44           HA       GLU  44 -16.271  10.500  -7.611
  333   1HB   GLU  44          1HB       GLU  44 -13.928   9.747  -6.978
  334   2HB   GLU  44          2HB       GLU  44 -14.047  11.198  -7.954
  335   1HG   GLU  44          1HG       GLU  44 -14.058  11.833  -5.129
  336   2HG   GLU  44          2HG       GLU  44 -12.639  10.901  -5.564
  337    H    GLU  45           H        GLU  45 -15.554   8.311  -6.706
  338    HA   GLU  45           HA       GLU  45 -17.045   7.899  -4.253
  339   1HB   GLU  45          1HB       GLU  45 -15.814   6.068  -6.277
  340   2HB   GLU  45          2HB       GLU  45 -16.488   5.467  -4.775
  341   1HG   GLU  45          1HG       GLU  45 -18.417   5.352  -5.958
  342   2HG   GLU  45          2HG       GLU  45 -18.507   7.071  -5.633
  343    H    ASP  46           H        ASP  46 -16.276   6.634  -2.480
  344    HA   ASP  46           HA       ASP  46 -13.772   7.508  -1.463
  345   1HB   ASP  46          1HB       ASP  46 -15.917   5.666  -0.624
  346   2HB   ASP  46          2HB       ASP  46 -14.336   5.370   0.071
  347    H    HIS  47           H        HIS  47 -12.421   5.534  -0.368
  348    HA   HIS  47           HA       HIS  47 -11.613   3.789  -2.618
  349   1HB   HIS  47          1HB       HIS  47  -9.578   4.922  -0.800
  350   2HB   HIS  47          2HB       HIS  47  -9.403   4.313  -2.434
  351    HD1  HIS  47           1HD      HIS  47 -11.423   7.277  -0.997
  352    HD2  HIS  47           2HD      HIS  47  -8.596   6.325  -3.963
  353    HE1  HIS  47           1HE      HIS  47 -11.133   9.392  -2.407
  354    HE2  HIS  47           2HE      HIS  47  -9.351   8.826  -4.165
  355    H    LYS  48           H        LYS  48 -11.865   1.810  -2.074
  356    HA   LYS  48           HA       LYS  48 -10.774   0.564   0.194
  357   1HB   LYS  48          1HB       LYS  48 -12.996   1.962   0.980
  358   2HB   LYS  48          2HB       LYS  48 -13.654   0.370   0.662
  359   1HG   LYS  48          1HG       LYS  48 -11.490  -0.398   2.001
  360   2HG   LYS  48          2HG       LYS  48 -11.632   1.209   2.685
  361   1HD   LYS  48          1HD       LYS  48 -13.185   0.415   4.089
  362   2HD   LYS  48          2HD       LYS  48 -14.227   0.137   2.708
  363   1HE   LYS  48          1HE       LYS  48 -12.178  -1.922   3.069
  364   2HE   LYS  48          2HE       LYS  48 -13.308  -1.814   4.403
  365   1HZ   LYS  48          1HZ       LYS  48 -15.095  -2.039   2.843
  366   2HZ   LYS  48          2HZ       LYS  48 -14.027  -2.141   1.583
  367   3HZ   LYS  48          3HZ       LYS  48 -14.065  -3.331   2.733
  368    H    GLN  49           H        GLN  49 -13.407   0.587  -2.150
  369    HA   GLN  49           HA       GLN  49 -13.258  -2.321  -2.447
  370   1HB   GLN  49          1HB       GLN  49 -15.055  -2.052  -4.037
  371   2HB   GLN  49          2HB       GLN  49 -15.418  -1.183  -2.560
  372   1HG   GLN  49          1HG       GLN  49 -14.975   0.917  -3.565
  373   2HG   GLN  49          2HG       GLN  49 -14.185   0.176  -4.943
  374   1HE2  GLN  49          2HE2      GLN  49 -16.963   1.634  -3.915
  375   2HE2  GLN  49          1HE2      GLN  49 -18.073   1.008  -5.113
  376    H    LEU  50           H        LEU  50 -11.968   0.548  -4.002
  377    HA   LEU  50           HA       LEU  50 -11.298  -0.726  -6.498
  378   1HB   LEU  50          1HB       LEU  50 -10.632   1.828  -5.104
  379   2HB   LEU  50          2HB       LEU  50  -9.695   1.352  -6.505
  380    HG   LEU  50           HG       LEU  50 -12.666   1.374  -6.714
  381   1HD1  LEU  50          1HD1      LEU  50 -12.153   3.531  -5.648
  382   2HD1  LEU  50          2HD1      LEU  50 -10.910   3.848  -6.907
  383   3HD1  LEU  50          3HD1      LEU  50 -12.648   3.762  -7.360
  384   1HD2  LEU  50          1HD2      LEU  50 -10.421   2.046  -8.653
  385   2HD2  LEU  50          2HD2      LEU  50 -11.321   0.492  -8.580
  386   3HD2  LEU  50          3HD2      LEU  50 -12.173   2.002  -9.055
  387    H    CYS  51           H        CYS  51  -9.669  -0.234  -3.389
  388    HA   CYS  51           HA       CYS  51  -7.190  -1.421  -4.285
  389   1HB   CYS  51          1HB       CYS  51  -6.746  -1.568  -1.800
  390   2HB   CYS  51          2HB       CYS  51  -6.945   0.034  -2.482
  391    H    CYS  52           H        CYS  52  -9.730  -2.596  -1.982
  392    HA   CYS  52           HA       CYS  52  -8.865  -5.236  -1.855
  393   1HB   CYS  52          1HB       CYS  52 -11.423  -3.880  -1.433
  394   2HB   CYS  52          2HB       CYS  52 -11.524  -5.602  -1.740
  395    H    MET  53           H        MET  53 -10.438  -3.637  -4.512
  396    HA   MET  53           HA       MET  53 -11.145  -5.919  -6.040
  397   1HB   MET  53          1HB       MET  53 -12.103  -3.842  -6.643
  398   2HB   MET  53          2HB       MET  53 -10.536  -3.069  -6.753
  399   1HG   MET  53          1HG       MET  53 -11.553  -3.569  -8.959
  400   2HG   MET  53          2HG       MET  53  -9.990  -4.324  -8.724
  401   1HE   MET  53          1HE       MET  53 -10.351  -6.016 -10.673
  402   2HE   MET  53          2HE       MET  53  -9.519  -6.674  -9.222
  403   3HE   MET  53          3HE       MET  53 -10.760  -7.661 -10.070
  404    H    GLN  54           H        GLN  54  -8.364  -3.689  -6.511
  405    HA   GLN  54           HA       GLN  54  -7.058  -5.424  -8.341
  406   1HB   GLN  54          1HB       GLN  54  -6.088  -3.158  -6.648
  407   2HB   GLN  54          2HB       GLN  54  -5.032  -4.024  -7.746
  408   1HG   GLN  54          1HG       GLN  54  -7.614  -2.870  -8.706
  409   2HG   GLN  54          2HG       GLN  54  -6.185  -1.866  -8.564
  410   1HE2  GLN  54          2HE2      GLN  54  -5.990  -1.484 -10.769
  411   2HE2  GLN  54          1HE2      GLN  54  -5.541  -2.737 -11.904
  412    H    LEU  55           H        LEU  55  -7.072  -5.322  -4.849
  413    HA   LEU  55           HA       LEU  55  -4.749  -6.781  -4.295
  414   1HB   LEU  55          1HB       LEU  55  -7.361  -6.295  -3.030
  415   2HB   LEU  55          2HB       LEU  55  -6.395  -7.609  -2.390
  416    HG   LEU  55           HG       LEU  55  -6.258  -5.375  -1.239
  417   1HD1  LEU  55          1HD1      LEU  55  -4.701  -7.161  -0.727
  418   2HD1  LEU  55          2HD1      LEU  55  -3.686  -6.690  -2.134
  419   3HD1  LEU  55          3HD1      LEU  55  -3.858  -5.572  -0.736
  420   1HD2  LEU  55          1HD2      LEU  55  -4.483  -4.693  -3.560
  421   2HD2  LEU  55          2HD2      LEU  55  -6.031  -3.893  -3.117
  422   3HD2  LEU  55          3HD2      LEU  55  -4.613  -3.778  -2.017
  423    H    LYS  56           H        LYS  56  -8.066  -7.983  -4.999
  424    HA   LYS  56           HA       LYS  56  -7.248 -10.712  -5.030
  425   1HB   LYS  56          1HB       LYS  56  -9.555  -9.982  -4.867
  426   2HB   LYS  56          2HB       LYS  56  -9.481  -9.380  -6.510
  427   1HG   LYS  56          1HG       LYS  56  -9.754 -11.442  -7.385
  428   2HG   LYS  56          2HG       LYS  56  -8.594 -12.152  -6.281
  429   1HD   LYS  56          1HD       LYS  56 -10.207 -12.510  -4.626
  430   2HD   LYS  56          2HD       LYS  56 -11.315 -11.348  -5.326
  431   1HE   LYS  56          1HE       LYS  56 -12.342 -13.133  -6.230
  432   2HE   LYS  56          2HE       LYS  56 -11.003 -13.159  -7.360
  433   1HZ   LYS  56          1HZ       LYS  56  -9.869 -14.671  -5.906
  434   2HZ   LYS  56          2HZ       LYS  56 -11.135 -14.646  -4.839
  435   3HZ   LYS  56          3HZ       LYS  56 -11.340 -15.289  -6.351
  436    H    ASN  57           H        ASN  57  -7.271  -8.268  -7.634
  437    HA   ASN  57           HA       ASN  57  -6.515  -9.928  -9.771
  438   1HB   ASN  57          1HB       ASN  57  -6.940  -7.818 -10.514
  439   2HB   ASN  57          2HB       ASN  57  -6.192  -7.062  -9.122
  440   1HD2  ASN  57          2HD2      ASN  57  -3.812  -7.016  -9.024
  441   2HD2  ASN  57          1HD2      ASN  57  -2.911  -6.955 -10.522
  442    H    LEU  58           H        LEU  58  -4.638  -8.773  -7.053
  443    HA   LEU  58           HA       LEU  58  -2.093  -9.456  -8.165
  444   1HB   LEU  58          1HB       LEU  58  -3.153  -8.376  -5.682
  445   2HB   LEU  58          2HB       LEU  58  -1.764  -9.418  -5.447
  446    HG   LEU  58           HG       LEU  58  -1.925  -6.859  -6.969
  447   1HD1  LEU  58          1HD1      LEU  58  -1.478  -6.740  -4.549
  448   2HD1  LEU  58          2HD1      LEU  58  -0.118  -7.897  -4.758
  449   3HD1  LEU  58          3HD1      LEU  58  -0.029  -6.263  -5.501
  450   1HD2  LEU  58          1HD2      LEU  58   0.349  -8.855  -6.964
  451   2HD2  LEU  58          2HD2      LEU  58  -0.694  -8.460  -8.373
  452   3HD2  LEU  58          3HD2      LEU  58   0.390  -7.205  -7.676
  453    H    ASP  59           H        ASP  59  -0.757 -10.916  -6.373
  454    HA   ASP  59           HA       ASP  59  -1.955 -13.578  -6.858
  455   1HB   ASP  59          1HB       ASP  59   0.831 -12.889  -5.987
  456   2HB   ASP  59          2HB       ASP  59   0.255 -14.442  -6.558
  457    H    GLU  60           H        GLU  60  -2.478 -14.951  -5.148
  458    HA   GLU  60           HA       GLU  60  -2.848 -13.886  -2.565
  459   1HB   GLU  60          1HB       GLU  60  -3.372 -16.294  -3.882
  460   2HB   GLU  60          2HB       GLU  60  -2.478 -16.712  -2.434
  461   1HG   GLU  60          1HG       GLU  60  -4.057 -15.548  -1.044
  462   2HG   GLU  60          2HG       GLU  60  -4.876 -14.886  -2.444
  463    H    LYS  61           H        LYS  61   0.042 -14.980  -4.012
  464    HA   LYS  61           HA       LYS  61   1.452 -15.229  -1.447
  465   1HB   LYS  61          1HB       LYS  61   3.153 -16.288  -2.626
  466   2HB   LYS  61          2HB       LYS  61   1.670 -16.870  -3.353
  467   1HG   LYS  61          1HG       LYS  61   1.942 -15.178  -5.160
  468   2HG   LYS  61          2HG       LYS  61   3.481 -14.722  -4.459
  469   1HD   LYS  61          1HD       LYS  61   4.521 -16.633  -5.160
  470   2HD   LYS  61          2HD       LYS  61   3.067 -17.600  -5.023
  471   1HE   LYS  61          1HE       LYS  61   2.174 -16.392  -7.037
  472   2HE   LYS  61          2HE       LYS  61   3.750 -15.646  -7.216
  473   1HZ   LYS  61          1HZ       LYS  61   4.705 -17.821  -7.408
  474   2HZ   LYS  61          2HZ       LYS  61   3.217 -18.527  -7.239
  475   3HZ   LYS  61          3HZ       LYS  61   3.546 -17.597  -8.568
  476    H    CYS  62           H        CYS  62   0.616 -12.794  -3.455
  477    HA   CYS  62           HA       CYS  62   2.951 -11.133  -2.800
  478   1HB   CYS  62          1HB       CYS  62   0.809 -10.839  -4.872
  479   2HB   CYS  62          2HB       CYS  62   1.968  -9.580  -4.499
  480    H    MET  63           H        MET  63   0.182 -11.987  -1.358
  481    HA   MET  63           HA       MET  63  -0.690  -9.258  -0.667
  482   1HB   MET  63          1HB       MET  63  -1.981 -11.771   0.278
  483   2HB   MET  63          2HB       MET  63  -2.695 -10.189   0.036
  484   1HG   MET  63          1HG       MET  63  -1.986 -12.248  -1.987
  485   2HG   MET  63          2HG       MET  63  -3.530 -11.473  -1.696
  486   1HE   MET  63          1HE       MET  63  -4.397  -9.644  -2.902
  487   2HE   MET  63          2HE       MET  63  -3.478  -8.695  -1.682
  488   3HE   MET  63          3HE       MET  63  -3.440  -8.210  -3.412
  489    H    CYS  64           H        CYS  64   1.315  -8.885   0.494
  490    HA   CYS  64           HA       CYS  64   1.363  -8.872   3.168
  491   1HB   CYS  64          1HB       CYS  64   1.279 -10.996   3.924
  492   2HB   CYS  64          2HB       CYS  64   1.824 -11.669   2.400
  493    HA   PRO  65           HA       PRO  65   5.855  -8.884   1.814
  494   1HB   PRO  65          1HB       PRO  65   6.549  -9.930  -0.643
  495   2HB   PRO  65          2HB       PRO  65   6.645 -10.801   0.874
  496   1HG   PRO  65          1HG       PRO  65   4.721 -11.127  -1.322
  497   2HG   PRO  65          2HG       PRO  65   5.099 -12.233  -0.016
  498   1HD   PRO  65          1HD       PRO  65   2.846 -10.522  -0.218
  499   2HD   PRO  65          2HD       PRO  65   3.287 -11.540   1.139
  500    H    ALA  66           H        ALA  66   3.544  -8.546  -0.827
  501    HA   ALA  66           HA       ALA  66   4.933  -6.449  -2.178
  502   1HB   ALA  66          1HB       ALA  66   3.259  -7.837  -3.307
  503   2HB   ALA  66          2HB       ALA  66   1.996  -7.210  -2.193
  504   3HB   ALA  66          3HB       ALA  66   2.793  -6.102  -3.361
  505    H    ILE  67           H        ILE  67   2.196  -6.453   0.138
  506    HA   ILE  67           HA       ILE  67   1.622  -3.791   0.356
  507    HB   ILE  67           HB       ILE  67   1.961  -5.670   2.662
  508   1HG1  ILE  67          1HG1      ILE  67   0.270  -5.943   0.475
  509   2HG1  ILE  67          2HG1      ILE  67   0.197  -6.825   1.987
  510   1HG2  ILE  67          1HG2      ILE  67   1.810  -3.368   3.437
  511   2HG2  ILE  67          2HG2      ILE  67   0.333  -3.117   2.442
  512   3HG2  ILE  67          3HG2      ILE  67   0.296  -4.253   3.835
  513   1HD1  ILE  67          1HD1      ILE  67  -1.357  -5.156   2.910
  514   2HD1  ILE  67          2HD1      ILE  67  -1.282  -4.252   1.358
  515   3HD1  ILE  67          3HD1      ILE  67  -1.997  -5.900   1.404
  516    H    MET  68           H        MET  68   4.403  -5.442   1.857
  517    HA   MET  68           HA       MET  68   5.570  -3.284   3.148
  518   1HB   MET  68          1HB       MET  68   6.271  -5.838   2.674
  519   2HB   MET  68          2HB       MET  68   7.403  -5.003   1.629
  520   1HG   MET  68          1HG       MET  68   7.434  -3.511   3.947
  521   2HG   MET  68          2HG       MET  68   7.326  -5.162   4.522
  522   1HE   MET  68          1HE       MET  68   9.529  -2.367   3.508
  523   2HE   MET  68          2HE       MET  68   9.716  -3.134   5.123
  524   3HE   MET  68          3HE       MET  68  11.080  -3.160   3.951
  525    H    MET  69           H        MET  69   6.635  -4.322  -0.104
  526    HA   MET  69           HA       MET  69   8.068  -2.035  -0.765
  527   1HB   MET  69          1HB       MET  69   6.595  -4.000  -2.492
  528   2HB   MET  69          2HB       MET  69   7.674  -2.774  -3.127
  529   1HG   MET  69          1HG       MET  69   8.442  -4.906  -1.151
  530   2HG   MET  69          2HG       MET  69   8.788  -4.948  -2.869
  531   1HE   MET  69          1HE       MET  69   9.572  -3.389   0.595
  532   2HE   MET  69          2HE       MET  69  10.533  -4.842   0.148
  533   3HE   MET  69          3HE       MET  69  11.350  -3.255   0.366
  534    H    MET  70           H        MET  70   4.624  -2.607  -0.978
  535    HA   MET  70           HA       MET  70   3.843  -0.541  -2.695
  536   1HB   MET  70          1HB       MET  70   1.991  -1.623  -2.142
  537   2HB   MET  70          2HB       MET  70   2.671  -2.166  -0.621
  538   1HG   MET  70          1HG       MET  70   2.103   0.540  -0.243
  539   2HG   MET  70          2HG       MET  70   0.731  -0.102  -1.123
  540   1HE   MET  70          1HE       MET  70   0.508   1.225   1.665
  541   2HE   MET  70          2HE       MET  70  -0.874   0.524   0.753
  542   3HE   MET  70          3HE       MET  70  -0.627   0.096   2.482
  543    H    LEU  71           H        LEU  71   4.554  -0.467   0.791
  544    HA   LEU  71           HA       LEU  71   4.154   2.438   0.827
  545   1HB   LEU  71          1HB       LEU  71   4.842   0.462   2.982
  546   2HB   LEU  71          2HB       LEU  71   4.641   2.182   3.249
  547    HG   LEU  71           HG       LEU  71   2.390   1.033   1.851
  548   1HD1  LEU  71          1HD1      LEU  71   2.946  -1.001   3.086
  549   2HD1  LEU  71          2HD1      LEU  71   2.996  -0.056   4.616
  550   3HD1  LEU  71          3HD1      LEU  71   1.444  -0.253   3.730
  551   1HD2  LEU  71          1HD2      LEU  71   2.591   2.460   4.508
  552   2HD2  LEU  71          2HD2      LEU  71   2.301   3.228   2.909
  553   3HD2  LEU  71          3HD2      LEU  71   1.073   2.116   3.607
  554    H    ASN  72           H        ASN  72   6.409   0.920  -0.623
  555    HA   ASN  72           HA       ASN  72   8.603   2.593   0.466
  556   1HB   ASN  72          1HB       ASN  72   8.664  -0.159  -0.716
  557   2HB   ASN  72          2HB       ASN  72  10.099   0.837  -0.575
  558   1HD2  ASN  72          2HD2      ASN  72  11.221   0.808   1.250
  559   2HD2  ASN  72          1HD2      ASN  72  10.677   0.101   2.756
  560    H    GLU  73           H        GLU  73   6.394   2.381  -1.909
  561    HA   GLU  73           HA       GLU  73   8.047   2.820  -4.202
  562   1HB   GLU  73          1HB       GLU  73   5.170   2.691  -3.606
  563   2HB   GLU  73          2HB       GLU  73   5.609   3.702  -4.969
  564   1HG   GLU  73          1HG       GLU  73   6.394   0.818  -4.587
  565   2HG   GLU  73          2HG       GLU  73   5.168   1.407  -5.691
  566    HA   PRO  74           HA       PRO  74   8.598   7.150  -4.152
  567   1HB   PRO  74          1HB       PRO  74   8.130   7.907  -6.746
  568   2HB   PRO  74          2HB       PRO  74   9.608   7.165  -6.169
  569   1HG   PRO  74          1HG       PRO  74   7.470   5.995  -7.811
  570   2HG   PRO  74          2HG       PRO  74   9.124   5.456  -7.606
  571   1HD   PRO  74          1HD       PRO  74   6.814   4.407  -6.360
  572   2HD   PRO  74          2HD       PRO  74   8.481   3.955  -6.062
  573    H    MET  75           H        MET  75   6.084   6.376  -3.200
  574    HA   MET  75           HA       MET  75   4.645   8.850  -3.448
  575   1HB   MET  75          1HB       MET  75   4.010   7.488  -5.508
  576   2HB   MET  75          2HB       MET  75   3.186   6.409  -4.402
  577   1HG   MET  75          1HG       MET  75   1.617   8.003  -3.806
  578   2HG   MET  75          2HG       MET  75   2.657   9.339  -4.257
  579   1HE   MET  75          1HE       MET  75  -0.459   7.692  -5.009
  580   2HE   MET  75          2HE       MET  75  -0.309   9.483  -4.994
  581   3HE   MET  75          3HE       MET  75  -0.842   8.639  -6.489
  582    H    TRP  76           H        TRP  76   5.859   6.894  -1.458
  583    HA   TRP  76           HA       TRP  76   3.741   7.072   0.498
  584   1HB   TRP  76          1HB       TRP  76   4.670   4.390  -0.466
  585   2HB   TRP  76          2HB       TRP  76   3.841   4.640   1.056
  586    HD1  TRP  76           HD       TRP  76   3.088   3.519  -2.286
  587    HE1  TRP  76           1HE      TRP  76   0.614   3.867  -2.935
  588    HE3  TRP  76           3HE      TRP  76   1.752   6.777   1.399
  589    HZ2  TRP  76           2HZ      TRP  76  -1.574   5.539  -2.087
  590    HZ3  TRP  76           3HZ      TRP  76  -0.485   7.815   1.401
  591    HH2  TRP  76           HH       TRP  76  -2.158   7.204  -0.317
  592    H    ILE  77           H        ILE  77   5.219   8.482   1.486
  593    HA   ILE  77           HA       ILE  77   7.697   7.181   2.458
  594    HB   ILE  77           HB       ILE  77   7.514  10.124   2.257
  595   1HG1  ILE  77          1HG1      ILE  77   6.897   9.562   0.043
  596   2HG1  ILE  77          2HG1      ILE  77   8.585  10.028   0.022
  597   1HG2  ILE  77          1HG2      ILE  77   9.370   9.165   3.505
  598   2HG2  ILE  77          2HG2      ILE  77   9.806   8.143   2.091
  599   3HG2  ILE  77          3HG2      ILE  77   9.971   9.931   1.993
  600   1HD1  ILE  77          1HD1      ILE  77   9.266   7.648  -0.038
  601   2HD1  ILE  77          2HD1      ILE  77   7.532   7.169  -0.017
  602   3HD1  ILE  77          3HD1      ILE  77   8.201   8.065  -1.425
  603    H    ARG  78           H        ARG  78   7.962   9.756   4.171
  604    HA   ARG  78           HA       ARG  78   7.028   8.859   6.607
  605   1HB   ARG  78          1HB       ARG  78   6.960  11.242   7.282
  606   2HB   ARG  78          2HB       ARG  78   8.434  10.779   6.456
  607   1HG   ARG  78          1HG       ARG  78   6.894  11.609   4.355
  608   2HG   ARG  78          2HG       ARG  78   6.334  12.678   5.625
  609   1HD   ARG  78          1HD       ARG  78   9.257  12.265   5.181
  610   2HD   ARG  78          2HD       ARG  78   8.363  13.398   4.188
  611    HE   ARG  78           HE       ARG  78   7.827  13.825   6.970
  612   1HH1  ARG  78          1HH2      ARG  78  10.264  14.410   4.527
  613   2HH1  ARG  78          2HH2      ARG  78  10.882  15.828   5.343
  614   1HH2  ARG  78          1HH1      ARG  78   8.636  15.650   7.969
  615   2HH2  ARG  78          2HH1      ARG  78   9.978  16.516   7.256
  616    H    MET  79           H        MET  79   5.167  10.712   4.219
  617    HA   MET  79           HA       MET  79   2.799  11.052   5.697
  618   1HB   MET  79          1HB       MET  79   1.781  10.781   3.285
  619   2HB   MET  79          2HB       MET  79   2.733  12.188   3.717
  620   1HG   MET  79          1HG       MET  79   4.563  11.497   2.494
  621   2HG   MET  79          2HG       MET  79   4.107   9.807   2.573
  622   1HE   MET  79          1HE       MET  79   3.391   8.561   0.748
  623   2HE   MET  79          2HE       MET  79   1.806   8.970   1.490
  624   3HE   MET  79          3HE       MET  79   2.011   9.052  -0.294
  625    H    ARG  80           H        ARG  80   3.851   8.284   3.669
  626    HA   ARG  80           HA       ARG  80   1.565   6.720   3.978
  627   1HB   ARG  80          1HB       ARG  80   2.767   5.004   3.165
  628   2HB   ARG  80          2HB       ARG  80   3.894   6.293   2.793
  629   1HG   ARG  80          1HG       ARG  80   4.777   5.750   5.239
  630   2HG   ARG  80          2HG       ARG  80   4.054   4.190   4.904
  631   1HD   ARG  80          1HD       ARG  80   5.375   4.191   2.772
  632   2HD   ARG  80          2HD       ARG  80   6.248   5.562   3.430
  633    HE   ARG  80           HE       ARG  80   6.120   3.216   5.169
  634   1HH1  ARG  80          1HH2      ARG  80   8.036   5.082   2.857
  635   2HH1  ARG  80          2HH2      ARG  80   9.500   4.199   3.232
  636   1HH2  ARG  80          1HH1      ARG  80   7.988   2.081   5.517
  637   2HH2  ARG  80          2HH1      ARG  80   9.470   2.536   4.705
  638    H    ASP  81           H        ASP  81   3.915   7.492   6.471
  639    HA   ASP  81           HA       ASP  81   3.831   5.433   8.246
  640   1HB   ASP  81          1HB       ASP  81   4.823   7.714   8.543
  641   2HB   ASP  81          2HB       ASP  81   3.231   8.270   9.016
  642    H    GLN  82           H        GLN  82   1.235   7.805   7.745
  643    HA   GLN  82           HA       GLN  82  -0.552   6.568   9.610
  644   1HB   GLN  82          1HB       GLN  82  -0.544   8.953   8.648
  645   2HB   GLN  82          2HB       GLN  82  -1.466   8.242   7.339
  646   1HG   GLN  82          1HG       GLN  82  -3.114   7.414   8.933
  647   2HG   GLN  82          2HG       GLN  82  -2.184   8.087  10.258
  648   1HE2  GLN  82          2HE2      GLN  82  -1.967  10.425  10.411
  649   2HE2  GLN  82          1HE2      GLN  82  -3.185  11.455   9.691
  650    H    VAL  83           H        VAL  83  -0.448   6.570   6.046
  651    HA   VAL  83           HA       VAL  83  -2.522   4.691   5.692
  652    HB   VAL  83           HB       VAL  83  -2.069   4.734   3.490
  653   1HG1  VAL  83          1HG1      VAL  83  -2.388   7.019   4.193
  654   2HG1  VAL  83          2HG1      VAL  83  -0.622   7.192   4.477
  655   3HG1  VAL  83          3HG1      VAL  83  -1.244   6.945   2.809
  656   1HG2  VAL  83          1HG2      VAL  83   0.881   5.099   3.992
  657   2HG2  VAL  83          2HG2      VAL  83   0.060   3.589   3.464
  658   3HG2  VAL  83          3HG2      VAL  83   0.085   5.024   2.381
  659    H    MET  84           H        MET  84   0.506   4.228   7.047
  660    HA   MET  84           HA       MET  84   1.082   1.565   6.128
  661   1HB   MET  84          1HB       MET  84   2.446   3.609   7.521
  662   2HB   MET  84          2HB       MET  84   2.356   2.237   8.606
  663   1HG   MET  84          1HG       MET  84   3.069   0.939   6.427
  664   2HG   MET  84          2HG       MET  84   3.725   2.507   6.003
  665   1HE   MET  84          1HE       MET  84   5.809   3.544   6.860
  666   2HE   MET  84          2HE       MET  84   4.870   3.868   8.359
  667   3HE   MET  84          3HE       MET  84   6.526   3.176   8.468
  668    H    SER  85           H        SER  85   0.100   3.023   9.248
  669    HA   SER  85           HA       SER  85  -0.756   0.471  10.313
  670   1HB   SER  85          1HB       SER  85   0.127   2.321  11.703
  671   2HB   SER  85          2HB       SER  85  -1.329   3.229  11.348
  672    HG   SER  85           HG       SER  85  -1.486   2.059  13.324
  673    H    MET  86           H        MET  86  -2.067   2.043   7.866
  674    HA   MET  86           HA       MET  86  -4.858   1.532   8.737
  675   1HB   MET  86          1HB       MET  86  -3.724   3.448   6.738
  676   2HB   MET  86          2HB       MET  86  -5.435   3.099   6.882
  677   1HG   MET  86          1HG       MET  86  -3.743   4.139   9.138
  678   2HG   MET  86          2HG       MET  86  -4.695   5.162   8.081
  679   1HE   MET  86          1HE       MET  86  -4.543   3.888  11.403
  680   2HE   MET  86          2HE       MET  86  -5.139   5.543  11.031
  681   3HE   MET  86          3HE       MET  86  -6.200   4.381  11.900
  682    H    ALA  87           H        ALA  87  -2.605   1.392   6.010
  683    HA   ALA  87           HA       ALA  87  -4.246  -0.489   4.554
  684   1HB   ALA  87          1HB       ALA  87  -2.917   1.161   3.362
  685   2HB   ALA  87          2HB       ALA  87  -1.422   0.487   4.101
  686   3HB   ALA  87          3HB       ALA  87  -2.384  -0.508   2.953
  687    H    HIS  88           H        HIS  88  -2.747  -0.972   7.321
  688    HA   HIS  88           HA       HIS  88  -1.565  -3.570   6.620
  689   1HB   HIS  88          1HB       HIS  88  -0.650  -3.591   8.742
  690   2HB   HIS  88          2HB       HIS  88  -0.552  -1.915   8.241
  691    HD1  HIS  88           1HD      HIS  88  -0.593  -3.070  11.294
  692    HD2  HIS  88           2HD      HIS  88  -3.688  -1.180   9.146
  693    HE1  HIS  88           1HE      HIS  88  -2.219  -2.114  13.045
  694    HE2  HIS  88           2HE      HIS  88  -4.099  -0.980  11.722
  695    H    ASN  89           H        ASN  89  -4.523  -2.224   7.756
  696    HA   ASN  89           HA       ASN  89  -5.540  -4.909   8.513
  697   1HB   ASN  89          1HB       ASN  89  -6.125  -2.171   9.502
  698   2HB   ASN  89          2HB       ASN  89  -7.423  -3.347   9.482
  699   1HD2  ASN  89          2HD2      ASN  89  -3.973  -3.893  10.056
  700   2HD2  ASN  89          1HD2      ASN  89  -4.157  -4.468  11.699
  701    H    LEU  90           H        LEU  90  -6.036  -2.012   6.548
  702    HA   LEU  90           HA       LEU  90  -8.539  -2.555   5.450
  703   1HB   LEU  90          1HB       LEU  90  -6.033  -1.321   4.454
  704   2HB   LEU  90          2HB       LEU  90  -7.310  -1.647   3.300
  705    HG   LEU  90           HG       LEU  90  -8.001  -0.208   5.798
  706   1HD1  LEU  90          1HD1      LEU  90  -5.961   0.939   5.055
  707   2HD1  LEU  90          2HD1      LEU  90  -6.657   1.090   3.405
  708   3HD1  LEU  90          3HD1      LEU  90  -7.413   1.965   4.782
  709   1HD2  LEU  90          1HD2      LEU  90  -8.926  -0.015   2.913
  710   2HD2  LEU  90          2HD2      LEU  90  -9.763  -0.897   4.237
  711   3HD2  LEU  90          3HD2      LEU  90  -9.625   0.894   4.297
  712    HA   PRO  91           HA       PRO  91  -6.622  -5.678   2.452
  713   1HB   PRO  91          1HB       PRO  91  -4.133  -6.711   3.000
  714   2HB   PRO  91          2HB       PRO  91  -4.450  -5.431   1.847
  715   1HG   PRO  91          1HG       PRO  91  -3.235  -5.265   4.496
  716   2HG   PRO  91          2HG       PRO  91  -3.201  -4.098   3.190
  717   1HD   PRO  91          1HD       PRO  91  -4.799  -4.043   5.529
  718   2HD   PRO  91          2HD       PRO  91  -4.797  -2.900   4.200
  719    H    ILE  92           H        ILE  92  -6.036  -5.882   5.892
  720    HA   ILE  92           HA       ILE  92  -6.329  -8.749   6.050
  721    HB   ILE  92           HB       ILE  92  -6.477  -6.517   7.999
  722   1HG1  ILE  92          1HG1      ILE  92  -4.556  -8.630   7.252
  723   2HG1  ILE  92          2HG1      ILE  92  -4.309  -6.909   7.470
  724   1HG2  ILE  92          1HG2      ILE  92  -8.165  -8.057   8.810
  725   2HG2  ILE  92          2HG2      ILE  92  -6.993  -9.416   8.689
  726   3HG2  ILE  92          3HG2      ILE  92  -6.714  -8.091   9.872
  727   1HD1  ILE  92          1HD1      ILE  92  -4.486  -7.170   9.918
  728   2HD1  ILE  92          2HD1      ILE  92  -4.740  -8.936   9.694
  729   3HD1  ILE  92          3HD1      ILE  92  -3.170  -8.188   9.237
  730    H    GLU  93           H        GLU  93  -8.612  -6.029   6.373
  731    HA   GLU  93           HA       GLU  93 -10.871  -7.494   7.194
  732   1HB   GLU  93          1HB       GLU  93 -10.381  -4.903   5.874
  733   2HB   GLU  93          2HB       GLU  93 -11.994  -5.565   5.699
  734   1HG   GLU  93          1HG       GLU  93 -11.203  -5.858   8.420
  735   2HG   GLU  93          2HG       GLU  93 -10.895  -4.203   7.934
  736    H    CYS  94           H        CYS  94  -9.311  -7.352   4.099
  737    HA   CYS  94           HA       CYS  94 -11.526  -8.836   2.850
  738   1HB   CYS  94          1HB       CYS  94  -9.190  -7.318   1.903
  739   2HB   CYS  94          2HB       CYS  94  -9.716  -8.671   0.921
  740    H    ASN  95           H        ASN  95  -8.515  -9.415   4.380
  741    HA   ASN  95           HA       ASN  95  -7.651 -11.406   5.079
  742   1HB   ASN  95          1HB       ASN  95  -9.930 -12.417   4.289
  743   2HB   ASN  95          2HB       ASN  95  -8.967 -13.004   2.948
  744   1HD2  ASN  95          2HD2      ASN  95  -6.551 -13.608   4.137
  745   2HD2  ASN  95          1HD2      ASN  95  -6.784 -14.863   5.333
  746    H    LEU  96           H        LEU  96  -6.445  -9.613   3.426
  747    HA   LEU  96           HA       LEU  96  -5.124 -11.185   1.308
  748   1HB   LEU  96          1HB       LEU  96  -4.877  -8.249   1.875
  749   2HB   LEU  96          2HB       LEU  96  -4.393  -9.099   0.420
  750    HG   LEU  96           HG       LEU  96  -7.252  -9.163   1.234
  751   1HD1  LEU  96          1HD1      LEU  96  -6.681  -6.798   1.449
  752   2HD1  LEU  96          2HD1      LEU  96  -5.943  -6.828  -0.189
  753   3HD1  LEU  96          3HD1      LEU  96  -7.713  -7.075   0.003
  754   1HD2  LEU  96          1HD2      LEU  96  -5.829  -9.120  -1.441
  755   2HD2  LEU  96          2HD2      LEU  96  -6.504 -10.567  -0.614
  756   3HD2  LEU  96          3HD2      LEU  96  -7.605  -9.273  -1.205
  757    H    MET  97           H        MET  97  -4.569  -9.477   4.376
  758    HA   MET  97           HA       MET  97  -2.019 -10.932   4.532
  759   1HB   MET  97          1HB       MET  97  -0.757  -9.022   5.166
  760   2HB   MET  97          2HB       MET  97  -1.559  -8.671   3.650
  761   1HG   MET  97          1HG       MET  97  -3.078  -7.229   4.638
  762   2HG   MET  97          2HG       MET  97  -2.833  -7.910   6.233
  763   1HE   MET  97          1HE       MET  97  -1.873  -6.583   7.992
  764   2HE   MET  97          2HE       MET  97  -0.517  -7.686   7.573
  765   3HE   MET  97          3HE       MET  97  -0.195  -5.945   7.884
  766    H    SER  98           H        SER  98  -4.636 -11.313   5.797
  767    HA   SER  98           HA       SER  98  -5.145 -10.286   8.234
  768   1HB   SER  98          1HB       SER  98  -5.254 -13.152   7.392
  769   2HB   SER  98          2HB       SER  98  -5.881 -12.601   8.932
  770    HG   SER  98           HG       SER  98  -7.478 -12.590   7.280
  771    H    GLN  99           H        GLN  99  -3.324 -13.313   8.141
  772    HA   GLN  99           HA       GLN  99  -1.166 -12.128   9.659
  773   1HB   GLN  99          1HB       GLN  99  -3.311 -13.129  11.080
  774   2HB   GLN  99          2HB       GLN  99  -2.134 -14.426  11.145
  775   1HG   GLN  99          1HG       GLN  99  -0.439 -12.877  11.985
  776   2HG   GLN  99          2HG       GLN  99  -1.572 -11.545  11.860
  777   1HE2  GLN  99          2HE2      GLN  99  -1.255 -14.806  13.295
  778   2HE2  GLN  99          1HE2      GLN  99  -2.154 -14.443  14.752
  779    HA   PRO 100           HA       PRO 100  -0.320 -15.837   6.979
  780   1HB   PRO 100          1HB       PRO 100   0.900 -14.611   4.837
  781   2HB   PRO 100          2HB       PRO 100  -0.789 -15.073   4.888
  782   1HG   PRO 100          1HG       PRO 100   0.401 -12.396   5.081
  783   2HG   PRO 100          2HG       PRO 100  -1.248 -12.843   4.695
  784   1HD   PRO 100          1HD       PRO 100  -0.267 -11.875   7.175
  785   2HD   PRO 100          2HD       PRO 100  -1.891 -12.428   6.819
  786    H    CYS 101           H        CYS 101   1.992 -13.276   6.180
  787    HA   CYS 101           HA       CYS 101   4.185 -14.904   7.125
  788   1HB   CYS 101          1HB       CYS 101   4.495 -12.042   6.415
  789   2HB   CYS 101          2HB       CYS 101   5.547 -13.399   6.064
  790    H    GLN 102           H        GLN 102   4.807 -15.028   9.164
  791    HA   GLN 102           HA       GLN 102   4.395 -12.687  10.927
  792   1HB   GLN 102          1HB       GLN 102   4.045 -15.587  11.633
  793   2HB   GLN 102          2HB       GLN 102   3.959 -14.255  12.767
  794   1HG   GLN 102          1HG       GLN 102   2.113 -13.305  11.299
  795   2HG   GLN 102          2HG       GLN 102   2.095 -14.856  10.484
  796   1HE2  GLN 102          2HE2      GLN 102   1.245 -16.679  11.536
  797   2HE2  GLN 102          1HE2      GLN 102   0.395 -16.556  13.061
  798    H    MET 103           H        MET 103   5.716 -13.195  13.057
  799    HA   MET 103           HA       MET 103   8.461 -13.949  12.256
  800   1HB   MET 103          1HB       MET 103   7.747 -11.470  12.768
  801   2HB   MET 103          2HB       MET 103   7.981 -11.993  14.424
  802   1HG   MET 103          1HG       MET 103  10.080 -12.652  12.431
  803   2HG   MET 103          2HG       MET 103   9.971 -10.998  13.002
  804   1HE   MET 103          1HE       MET 103  12.641 -11.830  13.608
  805   2HE   MET 103          2HE       MET 103  11.878 -10.455  14.480
  806   3HE   MET 103          3HE       MET 103  12.799 -11.699  15.395
  Start of MODEL   17
    1    HA   PRO   1           HA       PRO   1   4.860  -6.471   8.863
    2   1HB   PRO   1          1HB       PRO   1   4.433  -6.183   6.181
    3   2HB   PRO   1          2HB       PRO   1   5.397  -7.450   6.914
    4   1HG   PRO   1          1HG       PRO   1   2.708  -7.623   5.734
    5   2HG   PRO   1          2HG       PRO   1   3.846  -8.912   6.071
    6   1HD   PRO   1          1HD       PRO   1   1.545  -8.182   7.591
    7   2HD   PRO   1          2HD       PRO   1   2.711  -9.438   7.955
    8    H    TYR   2           H        TYR   2   5.107  -4.327   7.762
    9    HA   TYR   2           HA       TYR   2   2.603  -2.765   7.812
   10   1HB   TYR   2          1HB       TYR   2   3.808  -1.092   9.239
   11   2HB   TYR   2          2HB       TYR   2   3.410  -2.594  10.049
   12    HD1  TYR   2           1HD      TYR   2   5.189  -4.297  10.503
   13    HD2  TYR   2           2HD      TYR   2   6.085  -0.386   8.918
   14    HE1  TYR   2           1HE      TYR   2   7.596  -4.604  11.117
   15    HE2  TYR   2           2HE      TYR   2   8.496  -0.688   9.524
   16    HH   TYR   2           HH       TYR   2   9.995  -2.044  10.472
   17    H    GLY   3           H        GLY   3   6.118  -2.776   7.308
   18   1HA   GLY   3          1HA       GLY   3   6.127  -1.782   4.714
   19   2HA   GLY   3          2HA       GLY   3   6.184  -0.378   5.761
   20    H    ARG   4           H        ARG   4   7.672  -3.628   5.552
   21    HA   ARG   4           HA       ARG   4  10.123  -2.738   6.758
   22   1HB   ARG   4          1HB       ARG   4   9.036  -5.141   6.513
   23   2HB   ARG   4          2HB       ARG   4  10.071  -5.185   5.100
   24   1HG   ARG   4          1HG       ARG   4  11.900  -5.482   6.364
   25   2HG   ARG   4          2HG       ARG   4  11.490  -4.112   7.376
   26   1HD   ARG   4          1HD       ARG   4   9.696  -5.912   8.283
   27   2HD   ARG   4          2HD       ARG   4  10.994  -6.991   7.810
   28    HE   ARG   4           HE       ARG   4  11.012  -5.064  10.007
   29   1HH1  ARG   4          1HH2      ARG   4  12.973  -7.026   7.871
   30   2HH1  ARG   4          2HH2      ARG   4  14.348  -7.018   8.951
   31   1HH2  ARG   4          1HH1      ARG   4  12.787  -5.068  11.375
   32   2HH2  ARG   4          2HH1      ARG   4  14.244  -5.920  10.915
   33    H    GLY   5           H        GLY   5  12.204  -3.631   5.429
   34   1HA   GLY   5          1HA       GLY   5  12.743  -1.697   3.458
   35   2HA   GLY   5          2HA       GLY   5  13.686  -3.144   3.760
   36    H    ARG   6           H        ARG   6  13.658  -2.347   1.262
   37    HA   ARG   6           HA       ARG   6  11.502  -3.450  -0.284
   38   1HB   ARG   6          1HB       ARG   6  13.138  -3.164  -2.188
   39   2HB   ARG   6          2HB       ARG   6  12.716  -1.708  -1.307
   40   1HG   ARG   6          1HG       ARG   6  15.014  -3.074  -0.151
   41   2HG   ARG   6          2HG       ARG   6  15.287  -2.603  -1.817
   42   1HD   ARG   6          1HD       ARG   6  13.977  -0.491  -0.329
   43   2HD   ARG   6          2HD       ARG   6  15.488  -0.956   0.427
   44    HE   ARG   6           HE       ARG   6  15.686  -0.573  -2.450
   45   1HH1  ARG   6          1HH2      ARG   6  15.869   1.016   0.660
   46   2HH1  ARG   6          2HH2      ARG   6  16.861   2.322   0.050
   47   1HH2  ARG   6          1HH1      ARG   6  16.957   1.104  -3.207
   48   2HH2  ARG   6          2HH1      ARG   6  17.471   2.372  -2.116
   49    H    THR   7           H        THR   7  12.091  -5.029  -2.108
   50    HA   THR   7           HA       THR   7  13.816  -7.204  -1.143
   51    HB   THR   7           HB       THR   7  12.000  -8.852  -1.333
   52    HG1  THR   7           1HG      THR   7   9.887  -7.973  -1.697
   53   1HG2  THR   7          1HG2      THR   7  12.268  -7.705   0.902
   54   2HG2  THR   7          2HG2      THR   7  11.099  -6.458   0.344
   55   3HG2  THR   7          3HG2      THR   7  10.563  -8.161   0.557
   56    H    GLU   8           H        GLU   8  12.852  -9.111  -3.010
   57    HA   GLU   8           HA       GLU   8  14.176  -8.116  -5.378
   58   1HB   GLU   8          1HB       GLU   8  12.822 -10.760  -4.901
   59   2HB   GLU   8          2HB       GLU   8  13.895 -10.375  -6.231
   60   1HG   GLU   8          1HG       GLU   8  15.698 -10.822  -4.980
   61   2HG   GLU   8          2HG       GLU   8  15.153  -9.732  -3.722
   62    H    SER   9           H        SER   9  12.964  -9.208  -7.493
   63    HA   SER   9           HA       SER   9  10.610  -7.508  -7.792
   64   1HB   SER   9          1HB       SER   9  12.673  -8.413  -9.496
   65   2HB   SER   9          2HB       SER   9  11.164  -9.044 -10.125
   66    HG   SER   9           HG       SER   9  11.646  -6.957 -10.936
   67    H    GLY  10           H        GLY  10   9.212  -8.898  -9.742
   68   1HA   GLY  10          1HA       GLY  10   8.039 -10.943 -10.113
   69   2HA   GLY  10          2HA       GLY  10   8.353 -11.418  -8.456
   70    H    CYS  11           H        CYS  11   7.121 -10.526  -6.752
   71    HA   CYS  11           HA       CYS  11   4.413 -10.047  -7.383
   72   1HB   CYS  11          1HB       CYS  11   5.931  -9.465  -4.873
   73   2HB   CYS  11          2HB       CYS  11   4.187  -9.400  -5.027
   74    H    TYR  12           H        TYR  12   6.550  -7.738  -5.699
   75    HA   TYR  12           HA       TYR  12   5.243  -5.403  -6.021
   76   1HB   TYR  12          1HB       TYR  12   7.431  -5.691  -4.995
   77   2HB   TYR  12          2HB       TYR  12   8.145  -5.971  -6.570
   78    HD1  TYR  12           1HD      TYR  12   9.386  -4.215  -7.440
   79    HD2  TYR  12           2HD      TYR  12   5.944  -3.388  -4.990
   80    HE1  TYR  12           1HE      TYR  12   9.841  -1.762  -7.641
   81    HE2  TYR  12           2HE      TYR  12   6.411  -0.934  -5.143
   82    HH   TYR  12           HH       TYR  12   7.721   0.631  -6.041
   83    H    GLN  13           H        GLN  13   7.222  -6.962  -8.545
   84    HA   GLN  13           HA       GLN  13   7.068  -4.990 -10.490
   85   1HB   GLN  13          1HB       GLN  13   8.468  -6.960 -10.710
   86   2HB   GLN  13          2HB       GLN  13   7.047  -7.975 -10.849
   87   1HG   GLN  13          1HG       GLN  13   7.157  -7.666 -13.064
   88   2HG   GLN  13          2HG       GLN  13   6.688  -6.002 -12.780
   89   1HE2  GLN  13          2HE2      GLN  13   8.062  -4.404 -13.260
   90   2HE2  GLN  13          1HE2      GLN  13   9.740  -4.628 -13.702
   91    H    GLN  14           H        GLN  14   4.817  -7.721  -9.982
   92    HA   GLN  14           HA       GLN  14   2.944  -6.749 -11.904
   93   1HB   GLN  14          1HB       GLN  14   1.813  -8.658 -11.505
   94   2HB   GLN  14          2HB       GLN  14   3.348  -9.125 -10.798
   95   1HG   GLN  14          1HG       GLN  14   2.375  -8.145  -8.627
   96   2HG   GLN  14          2HG       GLN  14   0.831  -8.293  -9.441
   97   1HE2  GLN  14          2HE2      GLN  14   2.557  -9.718  -7.179
   98   2HE2  GLN  14          1HE2      GLN  14   2.179 -11.401  -7.467
   99    H    MET  15           H        MET  15   3.580  -5.940  -8.623
  100    HA   MET  15           HA       MET  15   1.003  -5.015  -7.878
  101   1HB   MET  15          1HB       MET  15   3.054  -5.552  -6.426
  102   2HB   MET  15          2HB       MET  15   3.586  -3.933  -6.834
  103   1HG   MET  15          1HG       MET  15   1.016  -3.467  -6.115
  104   2HG   MET  15          2HG       MET  15   1.420  -4.806  -5.060
  105   1HE   MET  15          1HE       MET  15   2.946  -4.735  -3.095
  106   2HE   MET  15          2HE       MET  15   4.279  -4.683  -4.300
  107   3HE   MET  15          3HE       MET  15   4.283  -3.547  -2.907
  108    H    GLU  16           H        GLU  16   3.959  -3.217  -8.826
  109    HA   GLU  16           HA       GLU  16   2.714  -0.700  -8.955
  110   1HB   GLU  16          1HB       GLU  16   4.696   0.066  -9.830
  111   2HB   GLU  16          2HB       GLU  16   5.231  -1.428  -9.087
  112   1HG   GLU  16          1HG       GLU  16   4.804  -2.509 -11.373
  113   2HG   GLU  16          2HG       GLU  16   4.725  -0.874 -11.997
  114    H    GLU  17           H        GLU  17   2.743  -3.386 -11.193
  115    HA   GLU  17           HA       GLU  17   1.814  -1.856 -13.449
  116   1HB   GLU  17          1HB       GLU  17   3.072  -4.132 -13.397
  117   2HB   GLU  17          2HB       GLU  17   1.470  -4.808 -13.184
  118   1HG   GLU  17          1HG       GLU  17   0.918  -3.188 -15.220
  119   2HG   GLU  17          2HG       GLU  17   2.629  -3.394 -15.533
  120    H    ALA  18           H        ALA  18   0.382  -3.352 -10.683
  121    HA   ALA  18           HA       ALA  18  -2.286  -2.735 -11.763
  122   1HB   ALA  18          1HB       ALA  18  -1.972  -5.158 -11.697
  123   2HB   ALA  18          2HB       ALA  18  -1.483  -5.047  -9.971
  124   3HB   ALA  18          3HB       ALA  18  -3.165  -4.640 -10.457
  125    H    GLU  19           H        GLU  19  -0.679  -0.859 -10.442
  126    HA   GLU  19           HA       GLU  19  -0.664  -0.538  -7.801
  127   1HB   GLU  19          1HB       GLU  19  -1.545   1.904  -8.405
  128   2HB   GLU  19          2HB       GLU  19   0.076   1.352  -8.779
  129   1HG   GLU  19          1HG       GLU  19  -0.395   1.078 -11.031
  130   2HG   GLU  19          2HG       GLU  19  -2.118   0.919 -10.755
  131    H    MET  20           H        MET  20  -2.177  -1.607  -6.572
  132    HA   MET  20           HA       MET  20  -5.028  -0.874  -7.018
  133   1HB   MET  20          1HB       MET  20  -5.624  -2.956  -6.026
  134   2HB   MET  20          2HB       MET  20  -4.415  -3.298  -7.247
  135   1HG   MET  20          1HG       MET  20  -2.850  -2.947  -5.078
  136   2HG   MET  20          2HG       MET  20  -4.291  -3.612  -4.336
  137   1HE   MET  20          1HE       MET  20  -1.871  -4.054  -7.400
  138   2HE   MET  20          2HE       MET  20  -1.015  -4.324  -5.843
  139   3HE   MET  20          3HE       MET  20  -1.250  -5.690  -6.987
  140    H    LEU  21           H        LEU  21  -2.311  -1.165  -4.805
  141    HA   LEU  21           HA       LEU  21  -3.910  -0.258  -2.551
  142   1HB   LEU  21          1HB       LEU  21  -1.081  -1.091  -2.926
  143   2HB   LEU  21          2HB       LEU  21  -1.649  -0.372  -1.433
  144    HG   LEU  21           HG       LEU  21  -3.120  -2.701  -2.474
  145   1HD1  LEU  21          1HD1      LEU  21  -0.835  -3.431  -2.833
  146   2HD1  LEU  21          2HD1      LEU  21  -0.414  -2.963  -1.149
  147   3HD1  LEU  21          3HD1      LEU  21  -1.567  -4.311  -1.446
  148   1HD2  LEU  21          1HD2      LEU  21  -2.318  -1.832   0.314
  149   2HD2  LEU  21          2HD2      LEU  21  -3.921  -1.594  -0.465
  150   3HD2  LEU  21          3HD2      LEU  21  -3.346  -3.254  -0.082
  151    H    ASN  22           H        ASN  22  -3.165   1.286  -5.156
  152    HA   ASN  22           HA       ASN  22  -1.780   3.604  -4.044
  153   1HB   ASN  22          1HB       ASN  22  -2.515   2.602  -6.688
  154   2HB   ASN  22          2HB       ASN  22  -2.761   4.326  -6.500
  155   1HD2  ASN  22          2HD2      ASN  22  -0.964   5.618  -5.693
  156   2HD2  ASN  22          1HD2      ASN  22   0.675   5.126  -6.054
  157    H    HIS  23           H        HIS  23  -5.006   2.530  -5.009
  158    HA   HIS  23           HA       HIS  23  -6.211   5.130  -4.731
  159   1HB   HIS  23          1HB       HIS  23  -7.421   2.392  -4.910
  160   2HB   HIS  23          2HB       HIS  23  -8.320   3.895  -4.973
  161    HD1  HIS  23           1HD      HIS  23  -8.776   4.760  -7.298
  162    HD2  HIS  23           2HD      HIS  23  -5.423   2.222  -7.069
  163    HE1  HIS  23           1HE      HIS  23  -7.936   4.468  -9.706
  164    HE2  HIS  23           2HE      HIS  23  -5.886   2.912  -9.552
  165    H    CYS  24           H        CYS  24  -6.524   2.073  -2.870
  166    HA   CYS  24           HA       CYS  24  -7.918   3.081  -0.695
  167   1HB   CYS  24          1HB       CYS  24  -6.150   0.820  -1.166
  168   2HB   CYS  24          2HB       CYS  24  -6.175   1.363   0.500
  169    H    GLY  25           H        GLY  25  -4.557   3.567  -1.582
  170   1HA   GLY  25          1HA       GLY  25  -3.726   4.689   0.904
  171   2HA   GLY  25          2HA       GLY  25  -2.920   4.830  -0.646
  172    H    MET  26           H        MET  26  -4.789   6.125  -2.193
  173    HA   MET  26           HA       MET  26  -4.466   8.802  -1.608
  174   1HB   MET  26          1HB       MET  26  -5.560   7.384  -3.639
  175   2HB   MET  26          2HB       MET  26  -6.995   8.092  -2.923
  176   1HG   MET  26          1HG       MET  26  -5.720  10.310  -2.991
  177   2HG   MET  26          2HG       MET  26  -4.603   9.495  -4.068
  178   1HE   MET  26          1HE       MET  26  -5.857  12.027  -5.151
  179   2HE   MET  26          2HE       MET  26  -4.896  10.894  -6.163
  180   3HE   MET  26          3HE       MET  26  -6.479  11.506  -6.756
  181    H    TYR  27           H        TYR  27  -7.147   6.657  -0.665
  182    HA   TYR  27           HA       TYR  27  -8.834   8.586   0.475
  183   1HB   TYR  27          1HB       TYR  27  -9.475   6.312  -0.015
  184   2HB   TYR  27          2HB       TYR  27  -8.274   5.698   1.104
  185    HD1  TYR  27           1HD      TYR  27  -8.541   6.479   3.615
  186    HD2  TYR  27           2HD      TYR  27 -11.676   6.459   0.667
  187    HE1  TYR  27           1HE      TYR  27 -10.233   6.518   5.450
  188    HE2  TYR  27           2HE      TYR  27 -13.374   6.441   2.503
  189    HH   TYR  27           HH       TYR  27 -13.729   6.504   4.616
  190    H    LEU  28           H        LEU  28  -6.134   6.716   1.840
  191    HA   LEU  28           HA       LEU  28  -6.484   7.826   4.474
  192   1HB   LEU  28          1HB       LEU  28  -4.254   6.234   3.255
  193   2HB   LEU  28          2HB       LEU  28  -4.356   6.670   4.949
  194    HG   LEU  28           HG       LEU  28  -6.784   5.407   4.138
  195   1HD1  LEU  28          1HD1      LEU  28  -5.465   4.356   2.375
  196   2HD1  LEU  28          2HD1      LEU  28  -4.260   3.826   3.599
  197   3HD1  LEU  28          3HD1      LEU  28  -5.929   3.157   3.632
  198   1HD2  LEU  28          1HD2      LEU  28  -4.586   4.553   6.026
  199   2HD2  LEU  28          2HD2      LEU  28  -6.003   5.580   6.435
  200   3HD2  LEU  28          3HD2      LEU  28  -6.244   3.863   5.961
  201    H    MET  29           H        MET  29  -4.510   8.528   1.649
  202    HA   MET  29           HA       MET  29  -3.072  10.654   3.013
  203   1HB   MET  29          1HB       MET  29  -2.416   8.915   1.007
  204   2HB   MET  29          2HB       MET  29  -2.712  10.413   0.149
  205   1HG   MET  29          1HG       MET  29  -0.871  10.070   2.501
  206   2HG   MET  29          2HG       MET  29  -0.372  10.218   0.828
  207   1HE   MET  29          1HE       MET  29  -0.072  12.319  -0.469
  208   2HE   MET  29          2HE       MET  29  -1.867  12.361  -0.554
  209   3HE   MET  29          3HE       MET  29  -0.954  13.848  -0.125
  210    H    LYS  30           H        LYS  30  -6.087  10.562   2.190
  211    HA   LYS  30           HA       LYS  30  -6.167  12.948   0.489
  212   1HB   LYS  30          1HB       LYS  30  -7.903  10.705   0.954
  213   2HB   LYS  30          2HB       LYS  30  -8.767  12.214   1.171
  214   1HG   LYS  30          1HG       LYS  30  -7.474  12.846  -1.072
  215   2HG   LYS  30          2HG       LYS  30  -7.481  11.105  -1.279
  216   1HD   LYS  30          1HD       LYS  30  -9.706  11.039  -1.680
  217   2HD   LYS  30          2HD       LYS  30 -10.059  12.247  -0.460
  218   1HE   LYS  30          1HE       LYS  30  -8.616  13.457  -2.629
  219   2HE   LYS  30          2HE       LYS  30 -10.013  12.602  -3.254
  220   1HZ   LYS  30          1HZ       LYS  30 -11.372  13.775  -1.688
  221   2HZ   LYS  30          2HZ       LYS  30 -10.053  14.583  -1.097
  222   3HZ   LYS  30          3HZ       LYS  30 -10.553  14.842  -2.654
  223    H    ASN  31           H        ASN  31  -6.281  11.991   3.767
  224    HA   ASN  31           HA       ASN  31  -7.259  14.681   4.538
  225   1HB   ASN  31          1HB       ASN  31  -8.696  12.980   5.431
  226   2HB   ASN  31          2HB       ASN  31  -7.323  12.052   5.999
  227   1HD2  ASN  31          2HD2      ASN  31  -7.321  12.070   8.148
  228   2HD2  ASN  31          1HD2      ASN  31  -7.505  13.495   9.146
  229    H    LEU  32           H        LEU  32  -4.515  12.863   4.098
  230    HA   LEU  32           HA       LEU  32  -3.102  13.673   6.486
  231   1HB   LEU  32          1HB       LEU  32  -2.376  12.199   4.004
  232   2HB   LEU  32          2HB       LEU  32  -1.142  12.741   5.123
  233    HG   LEU  32           HG       LEU  32  -3.445  11.048   5.993
  234   1HD1  LEU  32          1HD1      LEU  32  -2.276   9.838   4.208
  235   2HD1  LEU  32          2HD1      LEU  32  -0.713  10.129   5.048
  236   3HD1  LEU  32          3HD1      LEU  32  -1.963   9.087   5.812
  237   1HD2  LEU  32          1HD2      LEU  32  -0.694  11.573   7.129
  238   2HD2  LEU  32          2HD2      LEU  32  -2.243  12.259   7.733
  239   3HD2  LEU  32          3HD2      LEU  32  -1.939  10.490   7.846
  240    H    GLY  33           H        GLY  33  -3.789  15.958   6.138
  241   1HA   GLY  33          1HA       GLY  33  -1.734  17.352   4.517
  242   2HA   GLY  33          2HA       GLY  33  -3.406  17.876   4.523
  243    H    GLU  34           H        GLU  34  -0.706  18.990   5.484
  244    HA   GLU  34           HA       GLU  34  -1.320  19.429   8.322
  245   1HB   GLU  34          1HB       GLU  34   0.999  18.909   7.632
  246   2HB   GLU  34          2HB       GLU  34   1.032  20.413   6.733
  247   1HG   GLU  34          1HG       GLU  34   0.312  21.479   9.008
  248   2HG   GLU  34          2HG       GLU  34   0.935  19.995   9.698
  249    H    ARG  35           H        ARG  35  -3.363  20.450   7.059
  250    HA   ARG  35           HA       ARG  35  -2.884  23.363   7.219
  251   1HB   ARG  35          1HB       ARG  35  -3.297  22.075   4.821
  252   2HB   ARG  35          2HB       ARG  35  -4.902  22.626   5.256
  253   1HG   ARG  35          1HG       ARG  35  -3.571  24.862   5.822
  254   2HG   ARG  35          2HG       ARG  35  -2.466  24.211   4.628
  255   1HD   ARG  35          1HD       ARG  35  -5.352  24.190   3.945
  256   2HD   ARG  35          2HD       ARG  35  -4.550  25.748   3.956
  257    HE   ARG  35           HE       ARG  35  -2.833  24.290   2.467
  258   1HH1  ARG  35          1HH2      ARG  35  -6.307  24.628   2.281
  259   2HH1  ARG  35          2HH2      ARG  35  -6.347  24.342   0.556
  260   1HH2  ARG  35          1HH1      ARG  35  -2.907  23.925   0.261
  261   2HH2  ARG  35          2HH1      ARG  35  -4.443  23.949  -0.575
  262    H    SER  36           H        SER  36  -5.409  20.878   6.822
  263    HA   SER  36           HA       SER  36  -7.074  22.396   8.736
  264   1HB   SER  36          1HB       SER  36  -7.928  21.839   6.396
  265   2HB   SER  36          2HB       SER  36  -8.040  20.187   6.967
  266    HG   SER  36           HG       SER  36 -10.003  21.344   7.245
  267    H    GLN  37           H        GLN  37  -7.988  21.425  10.507
  268    HA   GLN  37           HA       GLN  37  -6.687  18.892  11.286
  269   1HB   GLN  37          1HB       GLN  37  -7.747  21.205  12.840
  270   2HB   GLN  37          2HB       GLN  37  -7.595  19.631  13.597
  271   1HG   GLN  37          1HG       GLN  37  -5.234  19.571  13.161
  272   2HG   GLN  37          2HG       GLN  37  -5.329  21.004  12.158
  273   1HE2  GLN  37          2HE2      GLN  37  -5.719  19.768  15.449
  274   2HE2  GLN  37          1HE2      GLN  37  -5.402  21.281  16.268
  275    H    VAL  38           H        VAL  38  -7.889  17.257  10.595
  276    HA   VAL  38           HA       VAL  38 -10.513  16.946  11.800
  277    HB   VAL  38           HB       VAL  38 -10.926  18.213   9.718
  278   1HG1  VAL  38          1HG1      VAL  38  -9.148  17.334   8.315
  279   2HG1  VAL  38          2HG1      VAL  38  -9.925  15.712   8.348
  280   3HG1  VAL  38          3HG1      VAL  38 -10.753  17.090   7.544
  281   1HG2  VAL  38          1HG2      VAL  38 -12.070  15.410   9.804
  282   2HG2  VAL  38          2HG2      VAL  38 -12.688  16.846  10.691
  283   3HG2  VAL  38          3HG2      VAL  38 -12.769  16.795   8.896
  284    H    SER  39           H        SER  39 -11.303  14.775  11.697
  285    HA   SER  39           HA       SER  39  -9.325  12.799  10.753
  286   1HB   SER  39          1HB       SER  39  -9.479  13.435  13.381
  287   2HB   SER  39          2HB       SER  39 -10.614  12.103  13.277
  288    HG   SER  39           HG       SER  39  -8.470  11.397  13.689
  289    HA   PRO  40           HA       PRO  40 -13.559  11.775   9.497
  290   1HB   PRO  40          1HB       PRO  40 -13.037  11.422   6.819
  291   2HB   PRO  40          2HB       PRO  40 -13.636  12.903   7.539
  292   1HG   PRO  40          1HG       PRO  40 -10.933  12.289   6.549
  293   2HG   PRO  40          2HG       PRO  40 -11.663  13.851   6.858
  294   1HD   PRO  40          1HD       PRO  40  -9.795  12.473   8.507
  295   2HD   PRO  40          2HD       PRO  40 -10.611  13.980   8.867
  296    H    ARG  41           H        ARG  41 -13.304   9.905  10.754
  297    HA   ARG  41           HA       ARG  41 -11.639   7.752  10.249
  298   1HB   ARG  41          1HB       ARG  41 -13.892   8.251  11.860
  299   2HB   ARG  41          2HB       ARG  41 -14.215   6.761  10.999
  300   1HG   ARG  41          1HG       ARG  41 -12.326   5.694  11.890
  301   2HG   ARG  41          2HG       ARG  41 -11.570   7.211  12.338
  302   1HD   ARG  41          1HD       ARG  41 -14.038   7.114  13.701
  303   2HD   ARG  41          2HD       ARG  41 -13.299   5.537  13.901
  304    HE   ARG  41           HE       ARG  41 -11.389   7.630  14.373
  305   1HH1  ARG  41          1HH2      ARG  41 -14.080   5.977  15.867
  306   2HH1  ARG  41          2HH2      ARG  41 -13.523   6.313  17.491
  307   1HH2  ARG  41          1HH1      ARG  41 -10.691   8.047  16.462
  308   2HH2  ARG  41          2HH1      ARG  41 -11.626   7.471  17.824
  309    H    MET  42           H        MET  42 -15.035   8.007   9.202
  310    HA   MET  42           HA       MET  42 -14.341   6.677   6.681
  311   1HB   MET  42          1HB       MET  42 -16.647   5.643   8.262
  312   2HB   MET  42          2HB       MET  42 -15.816   4.899   6.912
  313   1HG   MET  42          1HG       MET  42 -13.781   4.772   8.437
  314   2HG   MET  42          2HG       MET  42 -14.875   5.159   9.749
  315   1HE   MET  42          1HE       MET  42 -13.982   2.899  10.889
  316   2HE   MET  42          2HE       MET  42 -15.678   3.404  11.211
  317   3HE   MET  42          3HE       MET  42 -15.300   1.677  10.882
  318    H    ARG  43           H        ARG  43 -15.420   7.441   5.006
  319    HA   ARG  43           HA       ARG  43 -18.009   8.244   4.762
  320   1HB   ARG  43          1HB       ARG  43 -17.807  10.786   4.971
  321   2HB   ARG  43          2HB       ARG  43 -17.986   9.877   6.457
  322   1HG   ARG  43          1HG       ARG  43 -16.062  10.742   7.225
  323   2HG   ARG  43          2HG       ARG  43 -15.201  10.051   5.865
  324   1HD   ARG  43          1HD       ARG  43 -14.748  12.216   5.394
  325   2HD   ARG  43          2HD       ARG  43 -16.345  12.178   4.672
  326    HE   ARG  43           HE       ARG  43 -16.457  12.813   7.484
  327   1HH1  ARG  43          1HH2      ARG  43 -15.849  14.193   4.327
  328   2HH1  ARG  43          2HH2      ARG  43 -16.284  15.810   4.834
  329   1HH2  ARG  43          1HH1      ARG  43 -17.005  14.891   8.114
  330   2HH2  ARG  43          2HH1      ARG  43 -16.932  16.201   6.958
  331    H    GLU  44           H        GLU  44 -14.666   8.972   4.103
  332    HA   GLU  44           HA       GLU  44 -14.737  10.576   1.906
  333   1HB   GLU  44          1HB       GLU  44 -12.887   8.829   3.022
  334   2HB   GLU  44          2HB       GLU  44 -13.015   8.351   1.341
  335   1HG   GLU  44          1HG       GLU  44 -11.435   9.971   1.107
  336   2HG   GLU  44          2HG       GLU  44 -12.857  10.989   0.999
  337    H    GLU  45           H        GLU  45 -14.583  10.129  -0.416
  338    HA   GLU  45           HA       GLU  45 -16.898   8.988  -1.395
  339   1HB   GLU  45          1HB       GLU  45 -14.826  10.343  -2.498
  340   2HB   GLU  45          2HB       GLU  45 -14.602   8.754  -3.202
  341   1HG   GLU  45          1HG       GLU  45 -17.387   9.427  -3.277
  342   2HG   GLU  45          2HG       GLU  45 -16.465  10.744  -3.972
  343    H    ASP  46           H        ASP  46 -16.891   7.144  -3.092
  344    HA   ASP  46           HA       ASP  46 -16.334   4.706  -1.712
  345   1HB   ASP  46          1HB       ASP  46 -16.983   3.701  -3.965
  346   2HB   ASP  46          2HB       ASP  46 -18.205   4.581  -3.066
  347    H    HIS  47           H        HIS  47 -14.011   4.929  -1.368
  348    HA   HIS  47           HA       HIS  47 -12.518   3.916  -3.672
  349   1HB   HIS  47          1HB       HIS  47 -12.014   6.472  -2.303
  350   2HB   HIS  47          2HB       HIS  47 -10.623   5.499  -2.730
  351    HD1  HIS  47           1HD      HIS  47 -13.830   6.440  -4.647
  352    HD2  HIS  47           2HD      HIS  47  -9.636   6.388  -5.025
  353    HE1  HIS  47           1HE      HIS  47 -13.320   7.236  -7.034
  354    HE2  HIS  47           2HE      HIS  47 -10.751   7.234  -7.235
  355    H    LYS  48           H        LYS  48 -12.710   1.909  -2.640
  356    HA   LYS  48           HA       LYS  48 -10.569   1.453  -0.760
  357   1HB   LYS  48          1HB       LYS  48 -13.210   1.872   0.254
  358   2HB   LYS  48          2HB       LYS  48 -12.712   0.221   0.563
  359   1HG   LYS  48          1HG       LYS  48 -11.670   1.117   2.371
  360   2HG   LYS  48          2HG       LYS  48 -10.438   1.573   1.211
  361   1HD   LYS  48          1HD       LYS  48 -10.777   3.703   1.800
  362   2HD   LYS  48          2HD       LYS  48 -12.365   3.593   1.067
  363   1HE   LYS  48          1HE       LYS  48 -12.581   2.377   3.585
  364   2HE   LYS  48          2HE       LYS  48 -11.675   3.855   3.833
  365   1HZ   LYS  48          1HZ       LYS  48 -13.397   5.044   2.699
  366   2HZ   LYS  48          2HZ       LYS  48 -14.254   3.647   2.465
  367   3HZ   LYS  48          3HZ       LYS  48 -14.018   4.226   3.998
  368    H    GLN  49           H        GLN  49 -13.639  -0.148  -1.636
  369    HA   GLN  49           HA       GLN  49 -12.647  -2.731  -1.857
  370   1HB   GLN  49          1HB       GLN  49 -15.004  -1.315  -2.705
  371   2HB   GLN  49          2HB       GLN  49 -14.511  -2.471  -3.926
  372   1HG   GLN  49          1HG       GLN  49 -14.622  -4.282  -2.398
  373   2HG   GLN  49          2HG       GLN  49 -14.726  -3.206  -1.019
  374   1HE2  GLN  49          2HE2      GLN  49 -16.633  -3.706  -0.125
  375   2HE2  GLN  49          1HE2      GLN  49 -18.170  -3.622  -0.954
  376    H    LEU  50           H        LEU  50 -12.155  -0.017  -4.001
  377    HA   LEU  50           HA       LEU  50 -11.425  -1.318  -6.347
  378   1HB   LEU  50          1HB       LEU  50 -10.333   1.196  -5.127
  379   2HB   LEU  50          2HB       LEU  50 -10.103   0.700  -6.791
  380    HG   LEU  50           HG       LEU  50 -12.898   0.842  -5.913
  381   1HD1  LEU  50          1HD1      LEU  50 -12.000   2.748  -4.675
  382   2HD1  LEU  50          2HD1      LEU  50 -11.220   3.355  -6.178
  383   3HD1  LEU  50          3HD1      LEU  50 -13.013   3.306  -6.052
  384   1HD2  LEU  50          1HD2      LEU  50 -11.416   1.929  -8.323
  385   2HD2  LEU  50          2HD2      LEU  50 -12.294   0.363  -8.236
  386   3HD2  LEU  50          3HD2      LEU  50 -13.202   1.910  -8.110
  387    H    CYS  51           H        CYS  51  -9.319  -0.344  -3.602
  388    HA   CYS  51           HA       CYS  51  -7.019  -1.649  -4.591
  389   1HB   CYS  51          1HB       CYS  51  -6.051  -1.209  -2.565
  390   2HB   CYS  51          2HB       CYS  51  -7.243   0.065  -2.734
  391    H    CYS  52           H        CYS  52  -9.631  -2.722  -2.432
  392    HA   CYS  52           HA       CYS  52  -8.535  -5.326  -2.046
  393   1HB   CYS  52          1HB       CYS  52 -11.174  -4.072  -1.522
  394   2HB   CYS  52          2HB       CYS  52 -10.993  -5.810  -1.401
  395    H    MET  53           H        MET  53  -9.638  -3.881  -4.788
  396    HA   MET  53           HA       MET  53 -11.150  -6.087  -5.900
  397   1HB   MET  53          1HB       MET  53 -11.373  -3.504  -6.350
  398   2HB   MET  53          2HB       MET  53 -10.092  -3.813  -7.506
  399   1HG   MET  53          1HG       MET  53 -11.953  -5.848  -7.898
  400   2HG   MET  53          2HG       MET  53 -12.894  -4.382  -7.706
  401   1HE   MET  53          1HE       MET  53  -9.429  -5.464  -9.272
  402   2HE   MET  53          2HE       MET  53 -10.714  -6.542  -9.918
  403   3HE   MET  53          3HE       MET  53  -9.865  -5.399 -11.016
  404    H    GLN  54           H        GLN  54  -8.278  -4.267  -7.029
  405    HA   GLN  54           HA       GLN  54  -7.386  -6.389  -8.689
  406   1HB   GLN  54          1HB       GLN  54  -6.342  -3.800  -7.779
  407   2HB   GLN  54          2HB       GLN  54  -5.140  -4.980  -8.261
  408   1HG   GLN  54          1HG       GLN  54  -5.502  -4.184 -10.324
  409   2HG   GLN  54          2HG       GLN  54  -6.928  -5.202 -10.281
  410   1HE2  GLN  54          2HE2      GLN  54  -7.446  -3.496 -11.981
  411   2HE2  GLN  54          1HE2      GLN  54  -8.330  -2.099 -11.411
  412    H    LEU  55           H        LEU  55  -6.901  -5.637  -5.294
  413    HA   LEU  55           HA       LEU  55  -4.615  -7.161  -4.790
  414   1HB   LEU  55          1HB       LEU  55  -6.886  -6.135  -3.290
  415   2HB   LEU  55          2HB       LEU  55  -6.115  -7.539  -2.581
  416    HG   LEU  55           HG       LEU  55  -4.317  -5.392  -3.436
  417   1HD1  LEU  55          1HD1      LEU  55  -6.095  -3.997  -2.533
  418   2HD1  LEU  55          2HD1      LEU  55  -6.115  -4.987  -1.032
  419   3HD1  LEU  55          3HD1      LEU  55  -4.670  -3.995  -1.438
  420   1HD2  LEU  55          1HD2      LEU  55  -4.489  -7.064  -0.923
  421   2HD2  LEU  55          2HD2      LEU  55  -3.436  -7.371  -2.348
  422   3HD2  LEU  55          3HD2      LEU  55  -3.166  -5.916  -1.326
  423    H    LYS  56           H        LYS  56  -7.938  -8.150  -5.410
  424    HA   LYS  56           HA       LYS  56  -7.546 -10.876  -4.653
  425   1HB   LYS  56          1HB       LYS  56  -9.745  -9.925  -4.705
  426   2HB   LYS  56          2HB       LYS  56  -9.590  -9.558  -6.412
  427   1HG   LYS  56          1HG       LYS  56 -10.306 -11.608  -6.956
  428   2HG   LYS  56          2HG       LYS  56  -9.039 -12.338  -5.992
  429   1HD   LYS  56          1HD       LYS  56 -10.548 -11.872  -3.976
  430   2HD   LYS  56          2HD       LYS  56 -11.820 -11.588  -5.148
  431   1HE   LYS  56          1HE       LYS  56 -11.682 -13.818  -5.973
  432   2HE   LYS  56          2HE       LYS  56 -10.179 -14.112  -5.121
  433   1HZ   LYS  56          1HZ       LYS  56 -11.363 -13.904  -3.062
  434   2HZ   LYS  56          2HZ       LYS  56 -12.782 -13.626  -3.868
  435   3HZ   LYS  56          3HZ       LYS  56 -12.033 -15.097  -3.994
  436    H    ASN  57           H        ASN  57  -6.823  -9.027  -7.506
  437    HA   ASN  57           HA       ASN  57  -6.314 -11.295  -9.196
  438   1HB   ASN  57          1HB       ASN  57  -6.196  -8.392  -9.385
  439   2HB   ASN  57          2HB       ASN  57  -4.883  -9.187 -10.230
  440   1HD2  ASN  57          2HD2      ASN  57  -8.069  -8.184 -10.355
  441   2HD2  ASN  57          1HD2      ASN  57  -8.587  -9.081 -11.764
  442    H    LEU  58           H        LEU  58  -4.569  -9.615  -6.724
  443    HA   LEU  58           HA       LEU  58  -1.966 -10.402  -7.640
  444   1HB   LEU  58          1HB       LEU  58  -3.108  -8.883  -5.436
  445   2HB   LEU  58          2HB       LEU  58  -1.674  -9.793  -5.008
  446    HG   LEU  58           HG       LEU  58  -1.940  -7.655  -7.085
  447   1HD1  LEU  58          1HD1      LEU  58  -1.608  -6.876  -4.778
  448   2HD1  LEU  58          2HD1      LEU  58  -0.171  -7.946  -4.633
  449   3HD1  LEU  58          3HD1      LEU  58  -0.149  -6.562  -5.780
  450   1HD2  LEU  58          1HD2      LEU  58   0.418  -9.465  -6.556
  451   2HD2  LEU  58          2HD2      LEU  58  -0.610  -9.466  -8.031
  452   3HD2  LEU  58          3HD2      LEU  58   0.407  -8.035  -7.647
  453    H    ASP  59           H        ASP  59  -0.510 -11.652  -6.102
  454    HA   ASP  59           HA       ASP  59  -1.750 -14.276  -5.768
  455   1HB   ASP  59          1HB       ASP  59   0.798 -13.376  -6.421
  456   2HB   ASP  59          2HB       ASP  59   0.962 -14.029  -4.803
  457    H    GLU  60           H        GLU  60  -2.266 -15.212  -3.821
  458    HA   GLU  60           HA       GLU  60  -2.731 -13.683  -1.554
  459   1HB   GLU  60          1HB       GLU  60  -3.296 -16.207  -2.258
  460   2HB   GLU  60          2HB       GLU  60  -1.996 -16.513  -1.124
  461   1HG   GLU  60          1HG       GLU  60  -3.717 -14.543   0.006
  462   2HG   GLU  60          2HG       GLU  60  -4.707 -15.878  -0.551
  463    H    LYS  61           H        LYS  61   0.185 -15.447  -2.515
  464    HA   LYS  61           HA       LYS  61   1.568 -14.982  -0.048
  465   1HB   LYS  61          1HB       LYS  61   2.074 -16.281  -2.579
  466   2HB   LYS  61          2HB       LYS  61   3.476 -15.397  -2.008
  467   1HG   LYS  61          1HG       LYS  61   3.076 -16.515   0.256
  468   2HG   LYS  61          2HG       LYS  61   1.954 -17.573  -0.577
  469   1HD   LYS  61          1HD       LYS  61   3.713 -18.376  -2.034
  470   2HD   LYS  61          2HD       LYS  61   4.846 -17.218  -1.367
  471   1HE   LYS  61          1HE       LYS  61   4.421 -18.342   0.889
  472   2HE   LYS  61          2HE       LYS  61   3.646 -19.625  -0.018
  473   1HZ   LYS  61          1HZ       LYS  61   5.671 -19.918  -1.240
  474   2HZ   LYS  61          2HZ       LYS  61   6.404 -18.706  -0.383
  475   3HZ   LYS  61          3HZ       LYS  61   5.945 -20.101   0.383
  476    H    CYS  62           H        CYS  62   1.306 -13.243  -3.121
  477    HA   CYS  62           HA       CYS  62   3.171 -11.208  -2.348
  478   1HB   CYS  62          1HB       CYS  62   1.053 -11.152  -4.461
  479   2HB   CYS  62          2HB       CYS  62   2.437 -10.084  -4.331
  480    H    MET  63           H        MET  63  -0.001 -11.926  -1.405
  481    HA   MET  63           HA       MET  63  -0.808  -9.174  -0.943
  482   1HB   MET  63          1HB       MET  63  -2.072 -11.831  -0.394
  483   2HB   MET  63          2HB       MET  63  -2.805 -10.296   0.024
  484   1HG   MET  63          1HG       MET  63  -2.268  -9.846  -2.555
  485   2HG   MET  63          2HG       MET  63  -2.489 -11.583  -2.599
  486   1HE   MET  63          1HE       MET  63  -4.641 -12.833  -1.645
  487   2HE   MET  63          2HE       MET  63  -4.469 -11.938  -0.095
  488   3HE   MET  63          3HE       MET  63  -6.050 -11.958  -0.951
  489    H    CYS  64           H        CYS  64   1.281  -9.017   0.383
  490    HA   CYS  64           HA       CYS  64   0.765  -8.656   3.041
  491   1HB   CYS  64          1HB       CYS  64   0.575 -10.689   3.919
  492   2HB   CYS  64          2HB       CYS  64   1.271 -11.464   2.511
  493    HA   PRO  65           HA       PRO  65   5.406  -8.677   2.324
  494   1HB   PRO  65          1HB       PRO  65   6.453  -9.920   0.101
  495   2HB   PRO  65          2HB       PRO  65   6.343 -10.642   1.693
  496   1HG   PRO  65          1HG       PRO  65   4.729 -11.175  -0.692
  497   2HG   PRO  65          2HG       PRO  65   4.928 -12.154   0.746
  498   1HD   PRO  65          1HD       PRO  65   2.713 -10.496   0.089
  499   2HD   PRO  65          2HD       PRO  65   2.964 -11.388   1.576
  500    H    ALA  66           H        ALA  66   3.386  -8.481  -0.493
  501    HA   ALA  66           HA       ALA  66   5.006  -6.502  -1.825
  502   1HB   ALA  66          1HB       ALA  66   3.568  -8.051  -3.078
  503   2HB   ALA  66          2HB       ALA  66   2.128  -7.375  -2.239
  504   3HB   ALA  66          3HB       ALA  66   3.082  -6.343  -3.361
  505    H    ILE  67           H        ILE  67   2.045  -6.519   0.171
  506    HA   ILE  67           HA       ILE  67   1.185  -3.956   0.026
  507    HB   ILE  67           HB       ILE  67   1.605  -5.564   2.517
  508   1HG1  ILE  67          1HG1      ILE  67  -0.009  -6.077   0.311
  509   2HG1  ILE  67          2HG1      ILE  67  -0.094  -6.848   1.881
  510   1HG2  ILE  67          1HG2      ILE  67   1.281  -3.215   3.089
  511   2HG2  ILE  67          2HG2      ILE  67  -0.183  -3.159   2.046
  512   3HG2  ILE  67          3HG2      ILE  67  -0.175  -4.175   3.528
  513   1HD1  ILE  67          1HD1      ILE  67  -1.698  -5.153   2.651
  514   2HD1  ILE  67          2HD1      ILE  67  -1.609  -4.362   1.040
  515   3HD1  ILE  67          3HD1      ILE  67  -2.294  -6.018   1.192
  516    H    MET  68           H        MET  68   4.030  -5.056   1.868
  517    HA   MET  68           HA       MET  68   4.818  -2.628   2.968
  518   1HB   MET  68          1HB       MET  68   6.529  -4.830   1.859
  519   2HB   MET  68          2HB       MET  68   7.075  -3.576   2.953
  520   1HG   MET  68          1HG       MET  68   6.148  -4.570   4.746
  521   2HG   MET  68          2HG       MET  68   4.696  -5.009   3.868
  522   1HE   MET  68          1HE       MET  68   8.259  -5.999   4.986
  523   2HE   MET  68          2HE       MET  68   6.907  -6.546   6.038
  524   3HE   MET  68          3HE       MET  68   7.927  -7.754   5.183
  525    H    MET  69           H        MET  69   6.163  -4.028  -0.031
  526    HA   MET  69           HA       MET  69   7.481  -1.736  -0.903
  527   1HB   MET  69          1HB       MET  69   6.350  -4.130  -2.281
  528   2HB   MET  69          2HB       MET  69   7.112  -2.847  -3.199
  529   1HG   MET  69          1HG       MET  69   8.398  -4.389  -0.958
  530   2HG   MET  69          2HG       MET  69   8.699  -4.637  -2.667
  531   1HE   MET  69          1HE       MET  69  10.945  -4.006  -3.388
  532   2HE   MET  69          2HE       MET  69   9.826  -2.908  -4.268
  533   3HE   MET  69          3HE       MET  69  11.360  -2.267  -3.584
  534    H    MET  70           H        MET  70   4.087  -2.494  -0.994
  535    HA   MET  70           HA       MET  70   3.316  -0.827  -3.114
  536   1HB   MET  70          1HB       MET  70   1.445  -1.887  -2.612
  537   2HB   MET  70          2HB       MET  70   2.102  -2.393  -1.069
  538   1HG   MET  70          1HG       MET  70   1.490   0.170  -0.535
  539   2HG   MET  70          2HG       MET  70   0.250  -0.223  -1.709
  540   1HE   MET  70          1HE       MET  70  -0.322   0.686   1.299
  541   2HE   MET  70          2HE       MET  70  -1.609   0.311   0.101
  542   3HE   MET  70          3HE       MET  70  -1.636  -0.465   1.723
  543    H    LEU  71           H        LEU  71   3.956  -0.251   0.294
  544    HA   LEU  71           HA       LEU  71   3.293   2.590  -0.066
  545   1HB   LEU  71          1HB       LEU  71   3.601   0.971   2.427
  546   2HB   LEU  71          2HB       LEU  71   3.245   2.686   2.373
  547    HG   LEU  71           HG       LEU  71   1.520   0.448   1.430
  548   1HD1  LEU  71          1HD1      LEU  71   1.546   0.706   3.850
  549   2HD1  LEU  71          2HD1      LEU  71   1.187   2.458   3.671
  550   3HD1  LEU  71          3HD1      LEU  71  -0.035   1.235   3.178
  551   1HD2  LEU  71          1HD2      LEU  71   0.993   3.426   1.253
  552   2HD2  LEU  71          2HD2      LEU  71   1.272   2.310  -0.129
  553   3HD2  LEU  71          3HD2      LEU  71  -0.196   2.126   0.893
  554    H    ASN  72           H        ASN  72   5.664   1.306  -1.132
  555    HA   ASN  72           HA       ASN  72   7.680   2.944   0.276
  556   1HB   ASN  72          1HB       ASN  72   7.963   0.168  -0.822
  557   2HB   ASN  72          2HB       ASN  72   9.334   1.191  -0.445
  558   1HD2  ASN  72          2HD2      ASN  72   8.712   2.419   1.840
  559   2HD2  ASN  72          1HD2      ASN  72   8.494   1.245   3.119
  560    H    GLU  73           H        GLU  73   5.841   2.869  -2.293
  561    HA   GLU  73           HA       GLU  73   7.807   3.029  -4.405
  562   1HB   GLU  73          1HB       GLU  73   5.096   3.995  -4.921
  563   2HB   GLU  73          2HB       GLU  73   6.072   2.848  -5.816
  564   1HG   GLU  73          1HG       GLU  73   5.569   1.287  -3.828
  565   2HG   GLU  73          2HG       GLU  73   4.240   2.391  -3.538
  566    HA   PRO  74           HA       PRO  74   8.197   7.355  -4.642
  567   1HB   PRO  74          1HB       PRO  74   7.382   8.168  -7.134
  568   2HB   PRO  74          2HB       PRO  74   8.923   7.416  -6.775
  569   1HG   PRO  74          1HG       PRO  74   6.564   6.262  -8.100
  570   2HG   PRO  74          2HG       PRO  74   8.227   5.709  -8.131
  571   1HD   PRO  74          1HD       PRO  74   6.095   4.651  -6.597
  572   2HD   PRO  74          2HD       PRO  74   7.780   4.176  -6.543
  573    H    MET  75           H        MET  75   5.941   6.704  -3.250
  574    HA   MET  75           HA       MET  75   4.516   9.133  -3.215
  575   1HB   MET  75          1HB       MET  75   3.634   7.377  -5.211
  576   2HB   MET  75          2HB       MET  75   2.458   7.254  -3.917
  577   1HG   MET  75          1HG       MET  75   3.419   9.843  -5.120
  578   2HG   MET  75          2HG       MET  75   1.915   9.049  -5.539
  579   1HE   MET  75          1HE       MET  75   0.307  10.942  -4.978
  580   2HE   MET  75          2HE       MET  75  -0.249   9.339  -4.382
  581   3HE   MET  75          3HE       MET  75  -0.454  10.800  -3.355
  582    H    TRP  76           H        TRP  76   5.851   7.076  -1.501
  583    HA   TRP  76           HA       TRP  76   3.914   7.095   0.617
  584   1HB   TRP  76          1HB       TRP  76   4.716   4.486  -0.594
  585   2HB   TRP  76          2HB       TRP  76   3.920   4.667   0.956
  586    HD1  TRP  76           HD       TRP  76   3.059   3.875  -2.502
  587    HE1  TRP  76           1HE      TRP  76   0.565   4.279  -3.028
  588    HE3  TRP  76           3HE      TRP  76   1.913   6.632   1.626
  589    HZ2  TRP  76           2HZ      TRP  76  -1.611   5.735  -1.837
  590    HZ3  TRP  76           3HZ      TRP  76  -0.359   7.617   1.822
  591    HH2  TRP  76           HH       TRP  76  -2.100   7.120   0.173
  592    H    ILE  77           H        ILE  77   5.437   8.281   1.722
  593    HA   ILE  77           HA       ILE  77   7.842   6.775   2.522
  594    HB   ILE  77           HB       ILE  77   7.817   9.561   1.443
  595   1HG1  ILE  77          1HG1      ILE  77   9.745   8.665   0.107
  596   2HG1  ILE  77          2HG1      ILE  77   9.320   7.075   0.708
  597   1HG2  ILE  77          1HG2      ILE  77   9.036   9.640   3.561
  598   2HG2  ILE  77          2HG2      ILE  77  10.028   8.233   3.042
  599   3HG2  ILE  77          3HG2      ILE  77  10.167   9.800   2.172
  600   1HD1  ILE  77          1HD1      ILE  77   7.061   7.284  -0.265
  601   2HD1  ILE  77          2HD1      ILE  77   7.496   8.916  -0.883
  602   3HD1  ILE  77          3HD1      ILE  77   8.336   7.460  -1.520
  603    H    ARG  78           H        ARG  78   7.423  10.101   3.394
  604    HA   ARG  78           HA       ARG  78   7.290   9.395   6.171
  605   1HB   ARG  78          1HB       ARG  78   7.087  11.840   6.501
  606   2HB   ARG  78          2HB       ARG  78   8.465  11.398   5.513
  607   1HG   ARG  78          1HG       ARG  78   6.805  11.770   3.524
  608   2HG   ARG  78          2HG       ARG  78   5.907  12.714   4.696
  609   1HD   ARG  78          1HD       ARG  78   8.829  13.193   4.312
  610   2HD   ARG  78          2HD       ARG  78   7.668  13.896   3.203
  611    HE   ARG  78           HE       ARG  78   8.209  14.742   5.905
  612   1HH1  ARG  78          1HH2      ARG  78   5.662  14.526   3.509
  613   2HH1  ARG  78          2HH2      ARG  78   4.742  15.837   4.216
  614   1HH2  ARG  78          1HH1      ARG  78   7.009  16.414   6.790
  615   2HH2  ARG  78          2HH1      ARG  78   5.497  16.892   6.051
  616    H    MET  79           H        MET  79   5.091  11.015   3.900
  617    HA   MET  79           HA       MET  79   2.910  11.446   5.510
  618   1HB   MET  79          1HB       MET  79   1.724  10.691   3.196
  619   2HB   MET  79          2HB       MET  79   2.454  12.264   3.452
  620   1HG   MET  79          1HG       MET  79   4.306  11.765   2.183
  621   2HG   MET  79          2HG       MET  79   4.188  10.044   2.495
  622   1HE   MET  79          1HE       MET  79   2.958   8.377   1.198
  623   2HE   MET  79          2HE       MET  79   1.468   9.121   1.875
  624   3HE   MET  79          3HE       MET  79   1.569   8.750   0.119
  625    H    ARG  80           H        ARG  80   3.927   8.451   3.907
  626    HA   ARG  80           HA       ARG  80   1.756   6.838   4.348
  627   1HB   ARG  80          1HB       ARG  80   3.557   5.895   3.193
  628   2HB   ARG  80          2HB       ARG  80   4.666   6.209   4.513
  629   1HG   ARG  80          1HG       ARG  80   3.424   4.586   5.905
  630   2HG   ARG  80          2HG       ARG  80   2.382   4.241   4.539
  631   1HD   ARG  80          1HD       ARG  80   3.887   2.552   4.297
  632   2HD   ARG  80          2HD       ARG  80   4.689   3.788   3.351
  633    HE   ARG  80           HE       ARG  80   5.483   2.789   5.999
  634   1HH1  ARG  80          1HH2      ARG  80   6.068   4.988   3.361
  635   2HH1  ARG  80          2HH2      ARG  80   7.680   5.387   3.914
  636   1HH2  ARG  80          1HH1      ARG  80   7.543   3.340   6.702
  637   2HH2  ARG  80          2HH1      ARG  80   8.501   4.470   5.772
  638    H    ASP  81           H        ASP  81   3.935   8.134   6.762
  639    HA   ASP  81           HA       ASP  81   3.898   6.743   8.941
  640   1HB   ASP  81          1HB       ASP  81   3.764   9.461   8.435
  641   2HB   ASP  81          2HB       ASP  81   2.466   9.166   9.573
  642    H    GLN  82           H        GLN  82   0.930   8.589   8.129
  643    HA   GLN  82           HA       GLN  82  -0.639   7.233  10.066
  644   1HB   GLN  82          1HB       GLN  82  -1.132   9.161   7.910
  645   2HB   GLN  82          2HB       GLN  82  -2.493   8.194   8.440
  646   1HG   GLN  82          1HG       GLN  82  -2.607  10.040   9.848
  647   2HG   GLN  82          2HG       GLN  82  -1.744   8.867  10.824
  648   1HE2  GLN  82          2HE2      GLN  82  -1.733  12.011   9.598
  649   2HE2  GLN  82          1HE2      GLN  82  -0.067  12.414   9.946
  650    H    VAL  83           H        VAL  83  -1.355   7.284   6.606
  651    HA   VAL  83           HA       VAL  83  -2.817   5.126   6.202
  652    HB   VAL  83           HB       VAL  83  -2.365   5.756   4.147
  653   1HG1  VAL  83          1HG1      VAL  83  -1.124   7.684   4.937
  654   2HG1  VAL  83          2HG1      VAL  83   0.364   6.683   5.049
  655   3HG1  VAL  83          3HG1      VAL  83  -0.380   7.012   3.445
  656   1HG2  VAL  83          1HG2      VAL  83   0.182   4.154   4.468
  657   2HG2  VAL  83          2HG2      VAL  83  -1.427   3.517   3.981
  658   3HG2  VAL  83          3HG2      VAL  83  -0.548   4.659   2.904
  659    H    MET  84           H        MET  84   0.663   4.856   6.811
  660    HA   MET  84           HA       MET  84   1.252   2.280   6.712
  661   1HB   MET  84          1HB       MET  84   2.372   4.406   7.946
  662   2HB   MET  84          2HB       MET  84   1.923   3.405   9.312
  663   1HG   MET  84          1HG       MET  84   2.991   1.539   7.761
  664   2HG   MET  84          2HG       MET  84   3.892   2.927   7.182
  665   1HE   MET  84          1HE       MET  84   5.397   4.477   8.613
  666   2HE   MET  84          2HE       MET  84   3.991   4.802   9.684
  667   3HE   MET  84          3HE       MET  84   5.572   4.327  10.396
  668    H    SER  85           H        SER  85   0.137   3.502   9.889
  669    HA   SER  85           HA       SER  85  -0.695   0.915  10.702
  670   1HB   SER  85          1HB       SER  85   0.036   2.884  12.156
  671   2HB   SER  85          2HB       SER  85  -1.598   3.480  11.951
  672    HG   SER  85           HG       SER  85  -1.376   2.160  13.826
  673    H    MET  86           H        MET  86  -1.930   1.344   8.269
  674    HA   MET  86           HA       MET  86  -4.700   1.017   8.940
  675   1HB   MET  86          1HB       MET  86  -3.613   3.372   7.506
  676   2HB   MET  86          2HB       MET  86  -5.168   2.717   7.032
  677   1HG   MET  86          1HG       MET  86  -4.423   3.681   9.778
  678   2HG   MET  86          2HG       MET  86  -5.453   4.518   8.633
  679   1HE   MET  86          1HE       MET  86  -6.002   3.458  11.746
  680   2HE   MET  86          2HE       MET  86  -7.103   4.563  10.853
  681   3HE   MET  86          3HE       MET  86  -7.750   3.062  11.602
  682    H    ALA  87           H        ALA  87  -2.188   1.279   6.431
  683    HA   ALA  87           HA       ALA  87  -3.684  -0.194   4.480
  684   1HB   ALA  87          1HB       ALA  87  -1.962   1.438   3.867
  685   2HB   ALA  87          2HB       ALA  87  -0.731   0.437   4.715
  686   3HB   ALA  87          3HB       ALA  87  -1.554  -0.201   3.249
  687    H    HIS  88           H        HIS  88  -2.279  -1.068   7.391
  688    HA   HIS  88           HA       HIS  88  -1.575  -3.757   6.455
  689   1HB   HIS  88          1HB       HIS  88  -1.318  -2.887   9.267
  690   2HB   HIS  88          2HB       HIS  88  -0.315  -3.984   8.338
  691    HD1  HIS  88           1HD      HIS  88   0.592  -1.391  10.122
  692    HD2  HIS  88           2HD      HIS  88   0.366  -1.780   5.926
  693    HE1  HIS  88           1HE      HIS  88   2.318   0.238   9.152
  694    HE2  HIS  88           2HE      HIS  88   2.038   0.118   6.594
  695    H    ASN  89           H        ASN  89  -4.150  -1.989   7.755
  696    HA   ASN  89           HA       ASN  89  -5.440  -4.449   8.784
  697   1HB   ASN  89          1HB       ASN  89  -6.100  -1.570   9.368
  698   2HB   ASN  89          2HB       ASN  89  -6.900  -2.971  10.051
  699   1HD2  ASN  89          2HD2      ASN  89  -3.543  -1.843   9.575
  700   2HD2  ASN  89          1HD2      ASN  89  -3.015  -2.170  11.211
  701    H    LEU  90           H        LEU  90  -5.441  -1.938   6.433
  702    HA   LEU  90           HA       LEU  90  -8.152  -2.069   5.635
  703   1HB   LEU  90          1HB       LEU  90  -5.640  -0.979   4.524
  704   2HB   LEU  90          2HB       LEU  90  -6.972  -1.230   3.414
  705    HG   LEU  90           HG       LEU  90  -7.144   0.389   5.934
  706   1HD1  LEU  90          1HD1      LEU  90  -5.591   1.422   4.360
  707   2HD1  LEU  90          2HD1      LEU  90  -6.823   1.283   3.058
  708   3HD1  LEU  90          3HD1      LEU  90  -7.118   2.366   4.463
  709   1HD2  LEU  90          1HD2      LEU  90  -9.050   0.127   3.590
  710   2HD2  LEU  90          2HD2      LEU  90  -9.301  -0.547   5.237
  711   3HD2  LEU  90          3HD2      LEU  90  -9.257   1.233   4.993
  712    HA   PRO  91           HA       PRO  91  -6.668  -5.285   2.519
  713   1HB   PRO  91          1HB       PRO  91  -4.164  -6.381   2.800
  714   2HB   PRO  91          2HB       PRO  91  -4.563  -5.062   1.717
  715   1HG   PRO  91          1HG       PRO  91  -3.131  -4.994   4.265
  716   2HG   PRO  91          2HG       PRO  91  -3.160  -3.804   2.980
  717   1HD   PRO  91          1HD       PRO  91  -4.549  -3.712   5.442
  718   2HD   PRO  91          2HD       PRO  91  -4.661  -2.576   4.113
  719    H    ILE  92           H        ILE  92  -5.295  -5.731   5.734
  720    HA   ILE  92           HA       ILE  92  -5.702  -8.508   5.916
  721    HB   ILE  92           HB       ILE  92  -5.388  -6.280   7.824
  722   1HG1  ILE  92          1HG1      ILE  92  -3.853  -8.584   6.866
  723   2HG1  ILE  92          2HG1      ILE  92  -3.322  -6.968   7.287
  724   1HG2  ILE  92          1HG2      ILE  92  -7.156  -7.581   8.883
  725   2HG2  ILE  92          2HG2      ILE  92  -6.185  -9.079   8.667
  726   3HG2  ILE  92          3HG2      ILE  92  -5.605  -7.781   9.768
  727   1HD1  ILE  92          1HD1      ILE  92  -3.473  -7.517   9.677
  728   2HD1  ILE  92          2HD1      ILE  92  -4.019  -9.175   9.245
  729   3HD1  ILE  92          3HD1      ILE  92  -2.361  -8.631   8.808
  730    H    GLU  93           H        GLU  93  -7.842  -5.787   6.741
  731    HA   GLU  93           HA       GLU  93  -9.981  -7.345   7.720
  732   1HB   GLU  93          1HB       GLU  93  -9.655  -4.594   6.704
  733   2HB   GLU  93          2HB       GLU  93 -11.284  -5.238   6.705
  734   1HG   GLU  93          1HG       GLU  93 -10.069  -5.920   9.186
  735   2HG   GLU  93          2HG       GLU  93  -9.798  -4.212   8.904
  736    H    CYS  94           H        CYS  94  -8.768  -6.948   4.532
  737    HA   CYS  94           HA       CYS  94 -11.229  -7.978   3.337
  738   1HB   CYS  94          1HB       CYS  94  -8.778  -6.679   2.343
  739   2HB   CYS  94          2HB       CYS  94  -9.584  -7.809   1.275
  740    H    ASN  95           H        ASN  95  -8.316  -9.098   4.666
  741    HA   ASN  95           HA       ASN  95  -7.716 -11.288   5.049
  742   1HB   ASN  95          1HB       ASN  95 -10.127 -11.818   4.138
  743   2HB   ASN  95          2HB       ASN  95  -9.238 -12.301   2.707
  744   1HD2  ASN  95          2HD2      ASN  95  -7.069 -13.518   3.495
  745   2HD2  ASN  95          1HD2      ASN  95  -7.422 -14.881   4.534
  746    H    LEU  96           H        LEU  96  -6.748  -9.170   3.086
  747    HA   LEU  96           HA       LEU  96  -5.609 -10.689   0.915
  748   1HB   LEU  96          1HB       LEU  96  -4.914  -7.916   1.781
  749   2HB   LEU  96          2HB       LEU  96  -4.661  -8.643   0.207
  750    HG   LEU  96           HG       LEU  96  -7.319  -8.009   1.425
  751   1HD1  LEU  96          1HD1      LEU  96  -6.129  -5.982   0.910
  752   2HD1  LEU  96          2HD1      LEU  96  -5.796  -6.589  -0.749
  753   3HD1  LEU  96          3HD1      LEU  96  -7.484  -6.229  -0.246
  754   1HD2  LEU  96          1HD2      LEU  96  -6.646  -9.011  -1.341
  755   2HD2  LEU  96          2HD2      LEU  96  -7.486  -9.926  -0.041
  756   3HD2  LEU  96          3HD2      LEU  96  -8.274  -8.489  -0.781
  757    H    MET  97           H        MET  97  -4.305  -8.963   3.746
  758    HA   MET  97           HA       MET  97  -2.043 -10.860   3.709
  759   1HB   MET  97          1HB       MET  97  -0.611  -9.092   4.479
  760   2HB   MET  97          2HB       MET  97  -1.397  -8.613   2.988
  761   1HG   MET  97          1HG       MET  97  -2.199  -6.803   3.996
  762   2HG   MET  97          2HG       MET  97  -3.066  -7.820   5.128
  763   1HE   MET  97          1HE       MET  97   0.619  -6.684   4.340
  764   2HE   MET  97          2HE       MET  97  -0.421  -5.240   4.605
  765   3HE   MET  97          3HE       MET  97   0.894  -5.627   5.768
  766    H    SER  98           H        SER  98  -4.682 -10.863   5.147
  767    HA   SER  98           HA       SER  98  -4.773 -10.154   7.708
  768   1HB   SER  98          1HB       SER  98  -5.792 -12.357   8.269
  769   2HB   SER  98          2HB       SER  98  -6.472 -11.575   6.856
  770    HG   SER  98           HG       SER  98  -6.052 -13.808   6.506
  771    H    GLN  99           H        GLN  99  -3.394 -13.365   7.098
  772    HA   GLN  99           HA       GLN  99  -0.952 -12.700   8.494
  773   1HB   GLN  99          1HB       GLN  99  -2.959 -13.315  10.122
  774   2HB   GLN  99          2HB       GLN  99  -2.434 -14.940   9.731
  775   1HG   GLN  99          1HG       GLN  99  -0.056 -14.029  10.246
  776   2HG   GLN  99          2HG       GLN  99  -0.909 -12.750  11.084
  777   1HE2  GLN  99          2HE2      GLN  99   0.852 -15.042  11.977
  778   2HE2  GLN  99          1HE2      GLN  99  -0.073 -15.838  13.230
  779    HA   PRO 100           HA       PRO 100  -0.935 -16.160   5.422
  780   1HB   PRO 100          1HB       PRO 100   0.342 -14.882   3.337
  781   2HB   PRO 100          2HB       PRO 100  -1.389 -15.116   3.464
  782   1HG   PRO 100          1HG       PRO 100   0.171 -12.668   3.841
  783   2HG   PRO 100          2HG       PRO 100  -1.551 -12.847   3.573
  784   1HD   PRO 100          1HD       PRO 100  -0.227 -12.320   6.036
  785   2HD   PRO 100          2HD       PRO 100  -1.942 -12.565   5.778
  786    H    CYS 101           H        CYS 101   1.638 -13.714   5.235
  787    HA   CYS 101           HA       CYS 101   3.693 -15.705   5.378
  788   1HB   CYS 101          1HB       CYS 101   4.236 -12.860   5.976
  789   2HB   CYS 101          2HB       CYS 101   5.175 -14.006   5.042
  790    H    GLN 102           H        GLN 102   5.553 -14.907   7.100
  791    HA   GLN 102           HA       GLN 102   4.216 -14.939   9.743
  792   1HB   GLN 102          1HB       GLN 102   6.624 -16.532   8.906
  793   2HB   GLN 102          2HB       GLN 102   5.990 -16.444  10.537
  794   1HG   GLN 102          1HG       GLN 102   3.890 -17.112   8.696
  795   2HG   GLN 102          2HG       GLN 102   5.230 -18.225   8.508
  796   1HE2  GLN 102          2HE2      GLN 102   3.660 -19.807   9.265
  797   2HE2  GLN 102          1HE2      GLN 102   3.445 -20.018  10.989
  798    H    MET 103           H        MET 103   6.115 -14.646  11.475
  799    HA   MET 103           HA       MET 103   7.898 -12.467  10.595
  800   1HB   MET 103          1HB       MET 103   5.525 -11.934  11.801
  801   2HB   MET 103          2HB       MET 103   6.593 -12.040  13.185
  802   1HG   MET 103          1HG       MET 103   8.028 -10.553  11.337
  803   2HG   MET 103          2HG       MET 103   6.386  -9.963  11.178
  804   1HE   MET 103          1HE       MET 103   6.425  -7.643  12.109
  805   2HE   MET 103          2HE       MET 103   5.105  -8.595  12.874
  806   3HE   MET 103          3HE       MET 103   6.104  -7.482  13.871
  Start of MODEL   18
    1    HA   PRO   1           HA       PRO   1   4.871  -6.470   8.857
    2   1HB   PRO   1          1HB       PRO   1   4.439  -6.180   6.178
    3   2HB   PRO   1          2HB       PRO   1   5.407  -7.446   6.907
    4   1HG   PRO   1          1HG       PRO   1   2.717  -7.624   5.731
    5   2HG   PRO   1          2HG       PRO   1   3.856  -8.911   6.069
    6   1HD   PRO   1          1HD       PRO   1   1.559  -8.173   7.592
    7   2HD   PRO   1          2HD       PRO   1   2.718  -9.438   7.950
    8    H    TYR   2           H        TYR   2   5.114  -4.332   7.751
    9    HA   TYR   2           HA       TYR   2   2.617  -2.760   7.812
   10   1HB   TYR   2          1HB       TYR   2   3.821  -1.091   9.241
   11   2HB   TYR   2          2HB       TYR   2   3.424  -2.594  10.050
   12    HD1  TYR   2           1HD      TYR   2   5.200  -4.297  10.499
   13    HD2  TYR   2           2HD      TYR   2   6.095  -0.382   8.917
   14    HE1  TYR   2           1HE      TYR   2   7.612  -4.608  11.108
   15    HE2  TYR   2           2HE      TYR   2   8.512  -0.690   9.516
   16    HH   TYR   2           HH       TYR   2  10.014  -2.045  10.471
   17    H    GLY   3           H        GLY   3   6.131  -2.783   7.291
   18   1HA   GLY   3          1HA       GLY   3   6.137  -1.775   4.704
   19   2HA   GLY   3          2HA       GLY   3   6.194  -0.376   5.758
   20    H    ARG   4           H        ARG   4   7.678  -3.631   5.570
   21    HA   ARG   4           HA       ARG   4  10.135  -2.743   6.755
   22   1HB   ARG   4          1HB       ARG   4   9.045  -5.143   6.508
   23   2HB   ARG   4          2HB       ARG   4  10.080  -5.187   5.094
   24   1HG   ARG   4          1HG       ARG   4  11.910  -5.486   6.356
   25   2HG   ARG   4          2HG       ARG   4  11.501  -4.114   7.367
   26   1HD   ARG   4          1HD       ARG   4   9.709  -5.911   8.281
   27   2HD   ARG   4          2HD       ARG   4  11.004  -6.992   7.805
   28    HE   ARG   4           HE       ARG   4  11.028  -5.067  10.003
   29   1HH1  ARG   4          1HH2      ARG   4  12.990  -7.025   7.865
   30   2HH1  ARG   4          2HH2      ARG   4  14.365  -7.010   8.947
   31   1HH2  ARG   4          1HH1      ARG   4  12.800  -5.069  11.366
   32   2HH2  ARG   4          2HH1      ARG   4  14.258  -5.918  10.903
   33    H    GLY   5           H        GLY   5  12.219  -3.612   5.431
   34   1HA   GLY   5          1HA       GLY   5  12.759  -1.698   3.446
   35   2HA   GLY   5          2HA       GLY   5  13.695  -3.147   3.751
   36    H    ARG   6           H        ARG   6  13.654  -2.337   1.251
   37    HA   ARG   6           HA       ARG   6  11.507  -3.450  -0.295
   38   1HB   ARG   6          1HB       ARG   6  13.142  -3.163  -2.196
   39   2HB   ARG   6          2HB       ARG   6  12.723  -1.709  -1.314
   40   1HG   ARG   6          1HG       ARG   6  15.023  -3.076  -0.164
   41   2HG   ARG   6          2HG       ARG   6  15.291  -2.603  -1.830
   42   1HD   ARG   6          1HD       ARG   6  13.986  -0.492  -0.336
   43   2HD   ARG   6          2HD       ARG   6  15.498  -0.959   0.416
   44    HE   ARG   6           HE       ARG   6  15.691  -0.574  -2.459
   45   1HH1  ARG   6          1HH2      ARG   6  15.877   1.017   0.648
   46   2HH1  ARG   6          2HH2      ARG   6  16.869   2.321   0.034
   47   1HH2  ARG   6          1HH1      ARG   6  16.960   1.098  -3.215
   48   2HH2  ARG   6          2HH1      ARG   6  17.475   2.367  -2.126
   49    H    THR   7           H        THR   7  12.108  -5.027  -2.121
   50    HA   THR   7           HA       THR   7  13.818  -7.210  -1.146
   51    HB   THR   7           HB       THR   7  12.001  -8.850  -1.342
   52    HG1  THR   7           1HG      THR   7   9.886  -7.985  -1.697
   53   1HG2  THR   7          1HG2      THR   7  12.270  -7.716   0.893
   54   2HG2  THR   7          2HG2      THR   7  11.107  -6.460   0.342
   55   3HG2  THR   7          3HG2      THR   7  10.562  -8.160   0.549
   56    H    GLU   8           H        GLU   8  12.860  -9.115  -3.016
   57    HA   GLU   8           HA       GLU   8  14.179  -8.121  -5.386
   58   1HB   GLU   8          1HB       GLU   8  12.821 -10.762  -4.904
   59   2HB   GLU   8          2HB       GLU   8  13.893 -10.381  -6.236
   60   1HG   GLU   8          1HG       GLU   8  15.698 -10.826  -4.989
   61   2HG   GLU   8          2HG       GLU   8  15.154  -9.734  -3.731
   62    H    SER   9           H        SER   9  12.969  -9.195  -7.506
   63    HA   SER   9           HA       SER   9  10.608  -7.505  -7.803
   64   1HB   SER   9          1HB       SER   9  12.672  -8.414  -9.504
   65   2HB   SER   9          2HB       SER   9  11.165  -9.047 -10.134
   66    HG   SER   9           HG       SER   9  11.642  -6.958 -10.941
   67    H    GLY  10           H        GLY  10   9.200  -8.897  -9.741
   68   1HA   GLY  10          1HA       GLY  10   8.030 -10.946 -10.119
   69   2HA   GLY  10          2HA       GLY  10   8.349 -11.427  -8.465
   70    H    CYS  11           H        CYS  11   7.122 -10.522  -6.751
   71    HA   CYS  11           HA       CYS  11   4.410 -10.049  -7.379
   72   1HB   CYS  11          1HB       CYS  11   5.930  -9.465  -4.875
   73   2HB   CYS  11          2HB       CYS  11   4.187  -9.406  -5.029
   74    H    TYR  12           H        TYR  12   6.552  -7.735  -5.699
   75    HA   TYR  12           HA       TYR  12   5.246  -5.400  -6.027
   76   1HB   TYR  12          1HB       TYR  12   7.427  -5.689  -4.993
   77   2HB   TYR  12          2HB       TYR  12   8.147  -5.973  -6.564
   78    HD1  TYR  12           1HD      TYR  12   9.387  -4.221  -7.442
   79    HD2  TYR  12           2HD      TYR  12   5.938  -3.392  -4.998
   80    HE1  TYR  12           1HE      TYR  12   9.847  -1.763  -7.637
   81    HE2  TYR  12           2HE      TYR  12   6.412  -0.934  -5.142
   82    HH   TYR  12           HH       TYR  12   7.718   0.633  -6.040
   83    H    GLN  13           H        GLN  13   7.224  -6.962  -8.552
   84    HA   GLN  13           HA       GLN  13   7.065  -4.986 -10.496
   85   1HB   GLN  13          1HB       GLN  13   8.468  -6.956 -10.713
   86   2HB   GLN  13          2HB       GLN  13   7.048  -7.974 -10.847
   87   1HG   GLN  13          1HG       GLN  13   7.156  -7.671 -13.063
   88   2HG   GLN  13          2HG       GLN  13   6.683  -6.006 -12.782
   89   1HE2  GLN  13          2HE2      GLN  13   8.060  -4.403 -13.266
   90   2HE2  GLN  13          1HE2      GLN  13   9.738  -4.630 -13.706
   91    H    GLN  14           H        GLN  14   4.821  -7.734 -10.007
   92    HA   GLN  14           HA       GLN  14   2.937  -6.752 -11.909
   93   1HB   GLN  14          1HB       GLN  14   1.816  -8.663 -11.510
   94   2HB   GLN  14          2HB       GLN  14   3.350  -9.123 -10.801
   95   1HG   GLN  14          1HG       GLN  14   2.371  -8.143  -8.634
   96   2HG   GLN  14          2HG       GLN  14   0.829  -8.302  -9.451
   97   1HE2  GLN  14          2HE2      GLN  14   2.561  -9.722  -7.179
   98   2HE2  GLN  14          1HE2      GLN  14   2.179 -11.405  -7.471
   99    H    MET  15           H        MET  15   3.569  -5.946  -8.618
  100    HA   MET  15           HA       MET  15   0.998  -5.011  -7.875
  101   1HB   MET  15          1HB       MET  15   3.050  -5.555  -6.427
  102   2HB   MET  15          2HB       MET  15   3.584  -3.936  -6.834
  103   1HG   MET  15          1HG       MET  15   1.014  -3.470  -6.118
  104   2HG   MET  15          2HG       MET  15   1.419  -4.807  -5.061
  105   1HE   MET  15          1HE       MET  15   2.947  -4.735  -3.102
  106   2HE   MET  15          2HE       MET  15   4.278  -4.679  -4.309
  107   3HE   MET  15          3HE       MET  15   4.282  -3.545  -2.915
  108    H    GLU  16           H        GLU  16   3.960  -3.217  -8.829
  109    HA   GLU  16           HA       GLU  16   2.713  -0.696  -8.956
  110   1HB   GLU  16          1HB       GLU  16   4.697   0.065  -9.830
  111   2HB   GLU  16          2HB       GLU  16   5.230  -1.430  -9.088
  112   1HG   GLU  16          1HG       GLU  16   4.803  -2.510 -11.375
  113   2HG   GLU  16          2HG       GLU  16   4.726  -0.873 -11.997
  114    H    GLU  17           H        GLU  17   2.740  -3.387 -11.195
  115    HA   GLU  17           HA       GLU  17   1.813  -1.857 -13.455
  116   1HB   GLU  17          1HB       GLU  17   3.071  -4.134 -13.395
  117   2HB   GLU  17          2HB       GLU  17   1.468  -4.809 -13.183
  118   1HG   GLU  17          1HG       GLU  17   0.916  -3.190 -15.220
  119   2HG   GLU  17          2HG       GLU  17   2.627  -3.397 -15.535
  120    H    ALA  18           H        ALA  18   0.375  -3.362 -10.688
  121    HA   ALA  18           HA       ALA  18  -2.292  -2.740 -11.768
  122   1HB   ALA  18          1HB       ALA  18  -1.974  -5.164 -11.697
  123   2HB   ALA  18          2HB       ALA  18  -1.484  -5.048  -9.971
  124   3HB   ALA  18          3HB       ALA  18  -3.168  -4.644 -10.457
  125    H    GLU  19           H        GLU  19  -0.683  -0.859 -10.440
  126    HA   GLU  19           HA       GLU  19  -0.662  -0.537  -7.802
  127   1HB   GLU  19          1HB       GLU  19  -1.539   1.906  -8.408
  128   2HB   GLU  19          2HB       GLU  19   0.078   1.349  -8.787
  129   1HG   GLU  19          1HG       GLU  19  -0.398   1.080 -11.037
  130   2HG   GLU  19          2HG       GLU  19  -2.119   0.918 -10.757
  131    H    MET  20           H        MET  20  -2.170  -1.576  -6.542
  132    HA   MET  20           HA       MET  20  -5.032  -0.871  -7.016
  133   1HB   MET  20          1HB       MET  20  -5.623  -2.954  -6.023
  134   2HB   MET  20          2HB       MET  20  -4.413  -3.292  -7.245
  135   1HG   MET  20          1HG       MET  20  -2.850  -2.951  -5.078
  136   2HG   MET  20          2HG       MET  20  -4.293  -3.615  -4.339
  137   1HE   MET  20          1HE       MET  20  -1.873  -4.050  -7.402
  138   2HE   MET  20          2HE       MET  20  -1.017  -4.320  -5.843
  139   3HE   MET  20          3HE       MET  20  -1.248  -5.686  -6.989
  140    H    LEU  21           H        LEU  21  -2.316  -1.174  -4.798
  141    HA   LEU  21           HA       LEU  21  -3.911  -0.257  -2.544
  142   1HB   LEU  21          1HB       LEU  21  -1.087  -1.097  -2.937
  143   2HB   LEU  21          2HB       LEU  21  -1.643  -0.376  -1.439
  144    HG   LEU  21           HG       LEU  21  -3.124  -2.702  -2.477
  145   1HD1  LEU  21          1HD1      LEU  21  -0.842  -3.439  -2.836
  146   2HD1  LEU  21          2HD1      LEU  21  -0.418  -2.969  -1.153
  147   3HD1  LEU  21          3HD1      LEU  21  -1.575  -4.314  -1.446
  148   1HD2  LEU  21          1HD2      LEU  21  -2.321  -1.834   0.309
  149   2HD2  LEU  21          2HD2      LEU  21  -3.923  -1.594  -0.469
  150   3HD2  LEU  21          3HD2      LEU  21  -3.350  -3.254  -0.085
  151    H    ASN  22           H        ASN  22  -3.157   1.288  -5.157
  152    HA   ASN  22           HA       ASN  22  -1.779   3.610  -4.045
  153   1HB   ASN  22          1HB       ASN  22  -2.512   2.597  -6.685
  154   2HB   ASN  22          2HB       ASN  22  -2.765   4.321  -6.504
  155   1HD2  ASN  22          2HD2      ASN  22  -0.965   5.619  -5.686
  156   2HD2  ASN  22          1HD2      ASN  22   0.674   5.123  -6.044
  157    H    HIS  23           H        HIS  23  -5.007   2.531  -5.010
  158    HA   HIS  23           HA       HIS  23  -6.218   5.132  -4.733
  159   1HB   HIS  23          1HB       HIS  23  -7.418   2.390  -4.911
  160   2HB   HIS  23          2HB       HIS  23  -8.323   3.889  -4.972
  161    HD1  HIS  23           1HD      HIS  23  -8.779   4.761  -7.303
  162    HD2  HIS  23           2HD      HIS  23  -5.426   2.220  -7.066
  163    HE1  HIS  23           1HE      HIS  23  -7.938   4.465  -9.709
  164    HE2  HIS  23           2HE      HIS  23  -5.883   2.909  -9.553
  165    H    CYS  24           H        CYS  24  -6.535   2.069  -2.872
  166    HA   CYS  24           HA       CYS  24  -7.921   3.082  -0.689
  167   1HB   CYS  24          1HB       CYS  24  -6.143   0.824  -1.161
  168   2HB   CYS  24          2HB       CYS  24  -6.180   1.366   0.504
  169    H    GLY  25           H        GLY  25  -4.541   3.548  -1.566
  170   1HA   GLY  25          1HA       GLY  25  -3.722   4.694   0.907
  171   2HA   GLY  25          2HA       GLY  25  -2.916   4.828  -0.644
  172    H    MET  26           H        MET  26  -4.782   6.128  -2.198
  173    HA   MET  26           HA       MET  26  -4.468   8.806  -1.608
  174   1HB   MET  26          1HB       MET  26  -5.560   7.384  -3.640
  175   2HB   MET  26          2HB       MET  26  -6.994   8.090  -2.922
  176   1HG   MET  26          1HG       MET  26  -5.720  10.309  -2.992
  177   2HG   MET  26          2HG       MET  26  -4.604   9.496  -4.070
  178   1HE   MET  26          1HE       MET  26  -5.857  12.027  -5.151
  179   2HE   MET  26          2HE       MET  26  -4.896  10.894  -6.164
  180   3HE   MET  26          3HE       MET  26  -6.479  11.509  -6.757
  181    H    TYR  27           H        TYR  27  -7.159   6.657  -0.672
  182    HA   TYR  27           HA       TYR  27  -8.837   8.586   0.477
  183   1HB   TYR  27          1HB       TYR  27  -9.478   6.314  -0.016
  184   2HB   TYR  27          2HB       TYR  27  -8.276   5.697   1.100
  185    HD1  TYR  27           1HD      TYR  27  -8.540   6.470   3.612
  186    HD2  TYR  27           2HD      TYR  27 -11.675   6.455   0.663
  187    HE1  TYR  27           1HE      TYR  27 -10.233   6.512   5.453
  188    HE2  TYR  27           2HE      TYR  27 -13.373   6.431   2.503
  189    HH   TYR  27           HH       TYR  27 -13.735   6.503   4.597
  190    H    LEU  28           H        LEU  28  -6.141   6.705   1.848
  191    HA   LEU  28           HA       LEU  28  -6.486   7.823   4.479
  192   1HB   LEU  28          1HB       LEU  28  -4.253   6.238   3.254
  193   2HB   LEU  28          2HB       LEU  28  -4.354   6.671   4.950
  194    HG   LEU  28           HG       LEU  28  -6.782   5.411   4.132
  195   1HD1  LEU  28          1HD1      LEU  28  -5.452   4.354   2.379
  196   2HD1  LEU  28          2HD1      LEU  28  -4.257   3.826   3.615
  197   3HD1  LEU  28          3HD1      LEU  28  -5.927   3.161   3.638
  198   1HD2  LEU  28          1HD2      LEU  28  -4.590   4.554   6.022
  199   2HD2  LEU  28          2HD2      LEU  28  -6.006   5.584   6.431
  200   3HD2  LEU  28          3HD2      LEU  28  -6.250   3.868   5.954
  201    H    MET  29           H        MET  29  -4.500   8.525   1.656
  202    HA   MET  29           HA       MET  29  -3.066  10.656   3.008
  203   1HB   MET  29          1HB       MET  29  -2.416   8.914   1.007
  204   2HB   MET  29          2HB       MET  29  -2.712  10.412   0.146
  205   1HG   MET  29          1HG       MET  29  -0.873  10.071   2.499
  206   2HG   MET  29          2HG       MET  29  -0.374  10.217   0.825
  207   1HE   MET  29          1HE       MET  29  -0.079  12.312  -0.481
  208   2HE   MET  29          2HE       MET  29  -1.876  12.369  -0.545
  209   3HE   MET  29          3HE       MET  29  -0.943  13.849  -0.129
  210    H    LYS  30           H        LYS  30  -6.091  10.566   2.190
  211    HA   LYS  30           HA       LYS  30  -6.169  12.953   0.488
  212   1HB   LYS  30          1HB       LYS  30  -7.905  10.707   0.956
  213   2HB   LYS  30          2HB       LYS  30  -8.769  12.217   1.171
  214   1HG   LYS  30          1HG       LYS  30  -7.478  12.850  -1.073
  215   2HG   LYS  30          2HG       LYS  30  -7.480  11.111  -1.279
  216   1HD   LYS  30          1HD       LYS  30  -9.705  11.037  -1.681
  217   2HD   LYS  30          2HD       LYS  30 -10.061  12.245  -0.463
  218   1HE   LYS  30          1HE       LYS  30  -8.616  13.455  -2.631
  219   2HE   LYS  30          2HE       LYS  30 -10.011  12.600  -3.257
  220   1HZ   LYS  30          1HZ       LYS  30 -11.372  13.776  -1.689
  221   2HZ   LYS  30          2HZ       LYS  30 -10.053  14.583  -1.097
  222   3HZ   LYS  30          3HZ       LYS  30 -10.553  14.843  -2.655
  223    H    ASN  31           H        ASN  31  -6.300  11.986   3.769
  224    HA   ASN  31           HA       ASN  31  -7.260  14.682   4.542
  225   1HB   ASN  31          1HB       ASN  31  -8.697  12.977   5.429
  226   2HB   ASN  31          2HB       ASN  31  -7.323  12.050   5.998
  227   1HD2  ASN  31          2HD2      ASN  31  -7.320  12.070   8.152
  228   2HD2  ASN  31          1HD2      ASN  31  -7.506  13.498   9.144
  229    H    LEU  32           H        LEU  32  -4.511  12.855   4.103
  230    HA   LEU  32           HA       LEU  32  -3.097  13.670   6.488
  231   1HB   LEU  32          1HB       LEU  32  -2.374  12.204   4.001
  232   2HB   LEU  32          2HB       LEU  32  -1.139  12.739   5.123
  233    HG   LEU  32           HG       LEU  32  -3.449  11.051   5.988
  234   1HD1  LEU  32          1HD1      LEU  32  -2.265   9.841   4.207
  235   2HD1  LEU  32          2HD1      LEU  32  -0.710  10.134   5.060
  236   3HD1  LEU  32          3HD1      LEU  32  -1.966   9.092   5.814
  237   1HD2  LEU  32          1HD2      LEU  32  -0.693  11.573   7.116
  238   2HD2  LEU  32          2HD2      LEU  32  -2.237  12.268   7.723
  239   3HD2  LEU  32          3HD2      LEU  32  -1.939  10.498   7.841
  240    H    GLY  33           H        GLY  33  -3.789  15.959   6.134
  241   1HA   GLY  33          1HA       GLY  33  -1.734  17.356   4.510
  242   2HA   GLY  33          2HA       GLY  33  -3.406  17.879   4.520
  243    H    GLU  34           H        GLU  34  -0.707  18.992   5.482
  244    HA   GLU  34           HA       GLU  34  -1.317  19.429   8.324
  245   1HB   GLU  34          1HB       GLU  34   1.000  18.909   7.630
  246   2HB   GLU  34          2HB       GLU  34   1.032  20.414   6.731
  247   1HG   GLU  34          1HG       GLU  34   0.309  21.478   9.009
  248   2HG   GLU  34          2HG       GLU  34   0.936  19.995   9.698
  249    H    ARG  35           H        ARG  35  -3.365  20.450   7.047
  250    HA   ARG  35           HA       ARG  35  -2.887  23.366   7.216
  251   1HB   ARG  35          1HB       ARG  35  -3.297  22.074   4.819
  252   2HB   ARG  35          2HB       ARG  35  -4.903  22.627   5.250
  253   1HG   ARG  35          1HG       ARG  35  -3.570  24.862   5.818
  254   2HG   ARG  35          2HG       ARG  35  -2.465  24.212   4.625
  255   1HD   ARG  35          1HD       ARG  35  -5.353  24.193   3.941
  256   2HD   ARG  35          2HD       ARG  35  -4.550  25.749   3.951
  257    HE   ARG  35           HE       ARG  35  -2.835  24.289   2.462
  258   1HH1  ARG  35          1HH2      ARG  35  -6.307  24.628   2.274
  259   2HH1  ARG  35          2HH2      ARG  35  -6.342  24.340   0.548
  260   1HH2  ARG  35          1HH1      ARG  35  -2.908  23.925   0.262
  261   2HH2  ARG  35          2HH1      ARG  35  -4.443  23.948  -0.576
  262    H    SER  36           H        SER  36  -5.416  20.886   6.811
  263    HA   SER  36           HA       SER  36  -7.082  22.398   8.732
  264   1HB   SER  36          1HB       SER  36  -7.928  21.834   6.390
  265   2HB   SER  36          2HB       SER  36  -8.042  20.184   6.967
  266    HG   SER  36           HG       SER  36 -10.002  21.346   7.239
  267    H    GLN  37           H        GLN  37  -7.996  21.425  10.503
  268    HA   GLN  37           HA       GLN  37  -6.688  18.891  11.285
  269   1HB   GLN  37          1HB       GLN  37  -7.750  21.208  12.835
  270   2HB   GLN  37          2HB       GLN  37  -7.599  19.636  13.595
  271   1HG   GLN  37          1HG       GLN  37  -5.237  19.571  13.155
  272   2HG   GLN  37          2HG       GLN  37  -5.332  21.006  12.155
  273   1HE2  GLN  37          2HE2      GLN  37  -5.722  19.769  15.447
  274   2HE2  GLN  37          1HE2      GLN  37  -5.409  21.284  16.264
  275    H    VAL  38           H        VAL  38  -7.894  17.259  10.588
  276    HA   VAL  38           HA       VAL  38 -10.518  16.951  11.797
  277    HB   VAL  38           HB       VAL  38 -10.930  18.214   9.715
  278   1HG1  VAL  38          1HG1      VAL  38  -9.154  17.338   8.308
  279   2HG1  VAL  38          2HG1      VAL  38  -9.929  15.716   8.341
  280   3HG1  VAL  38          3HG1      VAL  38 -10.761  17.094   7.540
  281   1HG2  VAL  38          1HG2      VAL  38 -12.073  15.411   9.802
  282   2HG2  VAL  38          2HG2      VAL  38 -12.693  16.849  10.686
  283   3HG2  VAL  38          3HG2      VAL  38 -12.771  16.794   8.890
  284    H    SER  39           H        SER  39 -11.305  14.775  11.697
  285    HA   SER  39           HA       SER  39  -9.328  12.798  10.752
  286   1HB   SER  39          1HB       SER  39  -9.479  13.436  13.377
  287   2HB   SER  39          2HB       SER  39 -10.616  12.107  13.277
  288    HG   SER  39           HG       SER  39  -8.474  11.399  13.686
  289    HA   PRO  40           HA       PRO  40 -13.565  11.777   9.493
  290   1HB   PRO  40          1HB       PRO  40 -13.038  11.421   6.813
  291   2HB   PRO  40          2HB       PRO  40 -13.639  12.903   7.528
  292   1HG   PRO  40          1HG       PRO  40 -10.935  12.292   6.543
  293   2HG   PRO  40          2HG       PRO  40 -11.665  13.854   6.851
  294   1HD   PRO  40          1HD       PRO  40  -9.803  12.475   8.504
  295   2HD   PRO  40          2HD       PRO  40 -10.621  13.981   8.864
  296    H    ARG  41           H        ARG  41 -13.317   9.905  10.744
  297    HA   ARG  41           HA       ARG  41 -11.643   7.752  10.247
  298   1HB   ARG  41          1HB       ARG  41 -13.892   8.255  11.860
  299   2HB   ARG  41          2HB       ARG  41 -14.221   6.763  11.001
  300   1HG   ARG  41          1HG       ARG  41 -12.331   5.696  11.888
  301   2HG   ARG  41          2HG       ARG  41 -11.575   7.211  12.335
  302   1HD   ARG  41          1HD       ARG  41 -14.041   7.116  13.700
  303   2HD   ARG  41          2HD       ARG  41 -13.304   5.540  13.900
  304    HE   ARG  41           HE       ARG  41 -11.393   7.629  14.374
  305   1HH1  ARG  41          1HH2      ARG  41 -14.084   5.981  15.869
  306   2HH1  ARG  41          2HH2      ARG  41 -13.523   6.322  17.491
  307   1HH2  ARG  41          1HH1      ARG  41 -10.698   8.048  16.459
  308   2HH2  ARG  41          2HH1      ARG  41 -11.633   7.474  17.821
  309    H    MET  42           H        MET  42 -15.036   8.019   9.191
  310    HA   MET  42           HA       MET  42 -14.347   6.675   6.678
  311   1HB   MET  42          1HB       MET  42 -16.650   5.643   8.261
  312   2HB   MET  42          2HB       MET  42 -15.820   4.899   6.909
  313   1HG   MET  42          1HG       MET  42 -13.786   4.771   8.434
  314   2HG   MET  42          2HG       MET  42 -14.881   5.157   9.745
  315   1HE   MET  42          1HE       MET  42 -13.986   2.903  10.887
  316   2HE   MET  42          2HE       MET  42 -15.682   3.405  11.208
  317   3HE   MET  42          3HE       MET  42 -15.302   1.678  10.885
  318    H    ARG  43           H        ARG  43 -15.435   7.427   5.002
  319    HA   ARG  43           HA       ARG  43 -18.016   8.248   4.759
  320   1HB   ARG  43          1HB       ARG  43 -17.810  10.787   4.964
  321   2HB   ARG  43          2HB       ARG  43 -17.992   9.882   6.453
  322   1HG   ARG  43          1HG       ARG  43 -16.066  10.747   7.223
  323   2HG   ARG  43          2HG       ARG  43 -15.204  10.056   5.863
  324   1HD   ARG  43          1HD       ARG  43 -14.750  12.222   5.392
  325   2HD   ARG  43          2HD       ARG  43 -16.344  12.184   4.668
  326    HE   ARG  43           HE       ARG  43 -16.463  12.815   7.479
  327   1HH1  ARG  43          1HH2      ARG  43 -15.854  14.195   4.324
  328   2HH1  ARG  43          2HH2      ARG  43 -16.290  15.811   4.833
  329   1HH2  ARG  43          1HH1      ARG  43 -17.007  14.891   8.107
  330   2HH2  ARG  43          2HH1      ARG  43 -16.935  16.201   6.949
  331    H    GLU  44           H        GLU  44 -14.671   8.963   4.096
  332    HA   GLU  44           HA       GLU  44 -14.743  10.580   1.904
  333   1HB   GLU  44          1HB       GLU  44 -12.891   8.836   3.020
  334   2HB   GLU  44          2HB       GLU  44 -13.019   8.355   1.339
  335   1HG   GLU  44          1HG       GLU  44 -11.435   9.972   1.107
  336   2HG   GLU  44          2HG       GLU  44 -12.856  10.992   0.994
  337    H    GLU  45           H        GLU  45 -14.583  10.130  -0.421
  338    HA   GLU  45           HA       GLU  45 -16.900   8.986  -1.398
  339   1HB   GLU  45          1HB       GLU  45 -14.829  10.344  -2.502
  340   2HB   GLU  45          2HB       GLU  45 -14.604   8.756  -3.206
  341   1HG   GLU  45          1HG       GLU  45 -17.389   9.425  -3.281
  342   2HG   GLU  45          2HG       GLU  45 -16.470  10.743  -3.977
  343    H    ASP  46           H        ASP  46 -16.912   7.141  -3.081
  344    HA   ASP  46           HA       ASP  46 -16.341   4.701  -1.716
  345   1HB   ASP  46          1HB       ASP  46 -16.988   3.699  -3.968
  346   2HB   ASP  46          2HB       ASP  46 -18.209   4.578  -3.071
  347    H    HIS  47           H        HIS  47 -14.012   4.919  -1.370
  348    HA   HIS  47           HA       HIS  47 -12.514   3.919  -3.675
  349   1HB   HIS  47          1HB       HIS  47 -12.015   6.475  -2.303
  350   2HB   HIS  47          2HB       HIS  47 -10.622   5.503  -2.730
  351    HD1  HIS  47           1HD      HIS  47 -13.833   6.451  -4.650
  352    HD2  HIS  47           2HD      HIS  47  -9.636   6.386  -5.021
  353    HE1  HIS  47           1HE      HIS  47 -13.317   7.234  -7.042
  354    HE2  HIS  47           2HE      HIS  47 -10.746   7.232  -7.235
  355    H    LYS  48           H        LYS  48 -12.714   1.908  -2.637
  356    HA   LYS  48           HA       LYS  48 -10.570   1.455  -0.757
  357   1HB   LYS  48          1HB       LYS  48 -13.212   1.873   0.255
  358   2HB   LYS  48          2HB       LYS  48 -12.715   0.221   0.564
  359   1HG   LYS  48          1HG       LYS  48 -11.674   1.117   2.372
  360   2HG   LYS  48          2HG       LYS  48 -10.442   1.572   1.212
  361   1HD   LYS  48          1HD       LYS  48 -10.778   3.702   1.803
  362   2HD   LYS  48          2HD       LYS  48 -12.366   3.595   1.070
  363   1HE   LYS  48          1HE       LYS  48 -12.580   2.375   3.588
  364   2HE   LYS  48          2HE       LYS  48 -11.677   3.856   3.835
  365   1HZ   LYS  48          1HZ       LYS  48 -13.404   5.041   2.699
  366   2HZ   LYS  48          2HZ       LYS  48 -14.257   3.640   2.465
  367   3HZ   LYS  48          3HZ       LYS  48 -14.024   4.224   3.998
  368    H    GLN  49           H        GLN  49 -13.640  -0.144  -1.643
  369    HA   GLN  49           HA       GLN  49 -12.645  -2.732  -1.858
  370   1HB   GLN  49          1HB       GLN  49 -15.006  -1.315  -2.704
  371   2HB   GLN  49          2HB       GLN  49 -14.511  -2.470  -3.926
  372   1HG   GLN  49          1HG       GLN  49 -14.618  -4.280  -2.399
  373   2HG   GLN  49          2HG       GLN  49 -14.723  -3.205  -1.019
  374   1HE2  GLN  49          2HE2      GLN  49 -16.634  -3.703  -0.122
  375   2HE2  GLN  49          1HE2      GLN  49 -18.171  -3.619  -0.955
  376    H    LEU  50           H        LEU  50 -12.165  -0.018  -4.017
  377    HA   LEU  50           HA       LEU  50 -11.419  -1.317  -6.358
  378   1HB   LEU  50          1HB       LEU  50 -10.336   1.193  -5.122
  379   2HB   LEU  50          2HB       LEU  50 -10.099   0.705  -6.789
  380    HG   LEU  50           HG       LEU  50 -12.900   0.840  -5.912
  381   1HD1  LEU  50          1HD1      LEU  50 -11.995   2.749  -4.679
  382   2HD1  LEU  50          2HD1      LEU  50 -11.218   3.350  -6.184
  383   3HD1  LEU  50          3HD1      LEU  50 -13.010   3.305  -6.055
  384   1HD2  LEU  50          1HD2      LEU  50 -11.416   1.931  -8.322
  385   2HD2  LEU  50          2HD2      LEU  50 -12.291   0.363  -8.239
  386   3HD2  LEU  50          3HD2      LEU  50 -13.202   1.908  -8.111
  387    H    CYS  51           H        CYS  51  -9.311  -0.329  -3.610
  388    HA   CYS  51           HA       CYS  51  -7.015  -1.649  -4.586
  389   1HB   CYS  51          1HB       CYS  51  -6.055  -1.208  -2.565
  390   2HB   CYS  51          2HB       CYS  51  -7.247   0.063  -2.732
  391    H    CYS  52           H        CYS  52  -9.621  -2.722  -2.410
  392    HA   CYS  52           HA       CYS  52  -8.538  -5.332  -2.041
  393   1HB   CYS  52          1HB       CYS  52 -11.177  -4.074  -1.521
  394   2HB   CYS  52          2HB       CYS  52 -10.993  -5.811  -1.393
  395    H    MET  53           H        MET  53  -9.617  -3.893  -4.797
  396    HA   MET  53           HA       MET  53 -11.151  -6.093  -5.901
  397   1HB   MET  53          1HB       MET  53 -11.377  -3.510  -6.350
  398   2HB   MET  53          2HB       MET  53 -10.097  -3.815  -7.506
  399   1HG   MET  53          1HG       MET  53 -11.955  -5.848  -7.902
  400   2HG   MET  53          2HG       MET  53 -12.896  -4.385  -7.706
  401   1HE   MET  53          1HE       MET  53  -9.429  -5.459  -9.274
  402   2HE   MET  53          2HE       MET  53 -10.711  -6.542  -9.918
  403   3HE   MET  53          3HE       MET  53  -9.864  -5.399 -11.017
  404    H    GLN  54           H        GLN  54  -8.278  -4.265  -7.028
  405    HA   GLN  54           HA       GLN  54  -7.385  -6.396  -8.689
  406   1HB   GLN  54          1HB       GLN  54  -6.343  -3.804  -7.780
  407   2HB   GLN  54          2HB       GLN  54  -5.144  -4.985  -8.264
  408   1HG   GLN  54          1HG       GLN  54  -5.501  -4.183 -10.323
  409   2HG   GLN  54          2HG       GLN  54  -6.927  -5.201 -10.284
  410   1HE2  GLN  54          2HE2      GLN  54  -7.451  -3.496 -11.982
  411   2HE2  GLN  54          1HE2      GLN  54  -8.335  -2.099 -11.411
  412    H    LEU  55           H        LEU  55  -6.899  -5.634  -5.289
  413    HA   LEU  55           HA       LEU  55  -4.610  -7.164  -4.787
  414   1HB   LEU  55          1HB       LEU  55  -6.885  -6.137  -3.293
  415   2HB   LEU  55          2HB       LEU  55  -6.113  -7.541  -2.584
  416    HG   LEU  55           HG       LEU  55  -4.317  -5.392  -3.438
  417   1HD1  LEU  55          1HD1      LEU  55  -6.089  -3.993  -2.530
  418   2HD1  LEU  55          2HD1      LEU  55  -6.106  -4.983  -1.029
  419   3HD1  LEU  55          3HD1      LEU  55  -4.660  -3.996  -1.438
  420   1HD2  LEU  55          1HD2      LEU  55  -4.483  -7.065  -0.926
  421   2HD2  LEU  55          2HD2      LEU  55  -3.430  -7.367  -2.353
  422   3HD2  LEU  55          3HD2      LEU  55  -3.164  -5.913  -1.330
  423    H    LYS  56           H        LYS  56  -7.950  -8.154  -5.386
  424    HA   LYS  56           HA       LYS  56  -7.548 -10.884  -4.653
  425   1HB   LYS  56          1HB       LYS  56  -9.746  -9.924  -4.707
  426   2HB   LYS  56          2HB       LYS  56  -9.587  -9.559  -6.414
  427   1HG   LYS  56          1HG       LYS  56 -10.313 -11.605  -6.955
  428   2HG   LYS  56          2HG       LYS  56  -9.044 -12.339  -5.994
  429   1HD   LYS  56          1HD       LYS  56 -10.547 -11.872  -3.976
  430   2HD   LYS  56          2HD       LYS  56 -11.821 -11.587  -5.145
  431   1HE   LYS  56          1HE       LYS  56 -11.683 -13.817  -5.974
  432   2HE   LYS  56          2HE       LYS  56 -10.180 -14.112  -5.123
  433   1HZ   LYS  56          1HZ       LYS  56 -11.362 -13.905  -3.061
  434   2HZ   LYS  56          2HZ       LYS  56 -12.783 -13.626  -3.866
  435   3HZ   LYS  56          3HZ       LYS  56 -12.034 -15.098  -3.993
  436    H    ASN  57           H        ASN  57  -6.857  -9.033  -7.531
  437    HA   ASN  57           HA       ASN  57  -6.310 -11.299  -9.205
  438   1HB   ASN  57          1HB       ASN  57  -6.193  -8.394  -9.384
  439   2HB   ASN  57          2HB       ASN  57  -4.882  -9.191 -10.233
  440   1HD2  ASN  57          2HD2      ASN  57  -8.069  -8.182 -10.356
  441   2HD2  ASN  57          1HD2      ASN  57  -8.586  -9.081 -11.765
  442    H    LEU  58           H        LEU  58  -4.559  -9.594  -6.736
  443    HA   LEU  58           HA       LEU  58  -1.959 -10.400  -7.637
  444   1HB   LEU  58          1HB       LEU  58  -3.109  -8.886  -5.433
  445   2HB   LEU  58          2HB       LEU  58  -1.671  -9.792  -5.007
  446    HG   LEU  58           HG       LEU  58  -1.946  -7.653  -7.083
  447   1HD1  LEU  58          1HD1      LEU  58  -1.603  -6.882  -4.770
  448   2HD1  LEU  58          2HD1      LEU  58  -0.166  -7.953  -4.639
  449   3HD1  LEU  58          3HD1      LEU  58  -0.151  -6.564  -5.781
  450   1HD2  LEU  58          1HD2      LEU  58   0.415  -9.456  -6.545
  451   2HD2  LEU  58          2HD2      LEU  58  -0.611  -9.467  -8.022
  452   3HD2  LEU  58          3HD2      LEU  58   0.401  -8.031  -7.641
  453    H    ASP  59           H        ASP  59  -0.509 -11.652  -6.101
  454    HA   ASP  59           HA       ASP  59  -1.748 -14.278  -5.777
  455   1HB   ASP  59          1HB       ASP  59   0.801 -13.376  -6.423
  456   2HB   ASP  59          2HB       ASP  59   0.964 -14.026  -4.804
  457    H    GLU  60           H        GLU  60  -2.262 -15.222  -3.818
  458    HA   GLU  60           HA       GLU  60  -2.731 -13.681  -1.551
  459   1HB   GLU  60          1HB       GLU  60  -3.297 -16.207  -2.257
  460   2HB   GLU  60          2HB       GLU  60  -1.996 -16.513  -1.125
  461   1HG   GLU  60          1HG       GLU  60  -3.715 -14.542   0.007
  462   2HG   GLU  60          2HG       GLU  60  -4.707 -15.875  -0.549
  463    H    LYS  61           H        LYS  61   0.183 -15.457  -2.506
  464    HA   LYS  61           HA       LYS  61   1.575 -14.984  -0.045
  465   1HB   LYS  61          1HB       LYS  61   2.078 -16.280  -2.581
  466   2HB   LYS  61          2HB       LYS  61   3.477 -15.396  -2.008
  467   1HG   LYS  61          1HG       LYS  61   3.076 -16.515   0.256
  468   2HG   LYS  61          2HG       LYS  61   1.953 -17.571  -0.578
  469   1HD   LYS  61          1HD       LYS  61   3.713 -18.376  -2.034
  470   2HD   LYS  61          2HD       LYS  61   4.846 -17.218  -1.367
  471   1HE   LYS  61          1HE       LYS  61   4.420 -18.341   0.890
  472   2HE   LYS  61          2HE       LYS  61   3.644 -19.624  -0.018
  473   1HZ   LYS  61          1HZ       LYS  61   5.672 -19.918  -1.240
  474   2HZ   LYS  61          2HZ       LYS  61   6.404 -18.705  -0.382
  475   3HZ   LYS  61          3HZ       LYS  61   5.947 -20.100   0.383
  476    H    CYS  62           H        CYS  62   1.347 -13.254  -3.145
  477    HA   CYS  62           HA       CYS  62   3.176 -11.200  -2.352
  478   1HB   CYS  62          1HB       CYS  62   1.053 -11.158  -4.458
  479   2HB   CYS  62          2HB       CYS  62   2.432 -10.083  -4.331
  480    H    MET  63           H        MET  63   0.004 -11.926  -1.390
  481    HA   MET  63           HA       MET  63  -0.811  -9.171  -0.945
  482   1HB   MET  63          1HB       MET  63  -2.065 -11.830  -0.402
  483   2HB   MET  63          2HB       MET  63  -2.804 -10.299   0.021
  484   1HG   MET  63          1HG       MET  63  -2.267  -9.843  -2.555
  485   2HG   MET  63          2HG       MET  63  -2.489 -11.581  -2.600
  486   1HE   MET  63          1HE       MET  63  -4.642 -12.835  -1.650
  487   2HE   MET  63          2HE       MET  63  -4.470 -11.945  -0.097
  488   3HE   MET  63          3HE       MET  63  -6.051 -11.960  -0.954
  489    H    CYS  64           H        CYS  64   1.271  -9.000   0.388
  490    HA   CYS  64           HA       CYS  64   0.770  -8.654   3.049
  491   1HB   CYS  64          1HB       CYS  64   0.576 -10.692   3.918
  492   2HB   CYS  64          2HB       CYS  64   1.285 -11.462   2.512
  493    HA   PRO  65           HA       PRO  65   5.409  -8.673   2.323
  494   1HB   PRO  65          1HB       PRO  65   6.456  -9.918   0.098
  495   2HB   PRO  65          2HB       PRO  65   6.348 -10.642   1.691
  496   1HG   PRO  65          1HG       PRO  65   4.734 -11.174  -0.694
  497   2HG   PRO  65          2HG       PRO  65   4.934 -12.154   0.745
  498   1HD   PRO  65          1HD       PRO  65   2.722 -10.495   0.091
  499   2HD   PRO  65          2HD       PRO  65   2.975 -11.385   1.578
  500    H    ALA  66           H        ALA  66   3.388  -8.481  -0.499
  501    HA   ALA  66           HA       ALA  66   5.006  -6.501  -1.829
  502   1HB   ALA  66          1HB       ALA  66   3.570  -8.051  -3.080
  503   2HB   ALA  66          2HB       ALA  66   2.132  -7.376  -2.239
  504   3HB   ALA  66          3HB       ALA  66   3.084  -6.343  -3.361
  505    H    ILE  67           H        ILE  67   2.046  -6.516   0.176
  506    HA   ILE  67           HA       ILE  67   1.185  -3.950   0.029
  507    HB   ILE  67           HB       ILE  67   1.607  -5.563   2.516
  508   1HG1  ILE  67          1HG1      ILE  67  -0.006  -6.078   0.308
  509   2HG1  ILE  67          2HG1      ILE  67  -0.092  -6.850   1.879
  510   1HG2  ILE  67          1HG2      ILE  67   1.288  -3.215   3.088
  511   2HG2  ILE  67          2HG2      ILE  67  -0.176  -3.154   2.046
  512   3HG2  ILE  67          3HG2      ILE  67  -0.170  -4.170   3.530
  513   1HD1  ILE  67          1HD1      ILE  67  -1.701  -5.161   2.647
  514   2HD1  ILE  67          2HD1      ILE  67  -1.612  -4.370   1.034
  515   3HD1  ILE  67          3HD1      ILE  67  -2.292  -6.027   1.186
  516    H    MET  68           H        MET  68   4.026  -5.053   1.884
  517    HA   MET  68           HA       MET  68   4.827  -2.624   2.972
  518   1HB   MET  68          1HB       MET  68   6.528  -4.829   1.860
  519   2HB   MET  68          2HB       MET  68   7.076  -3.576   2.955
  520   1HG   MET  68          1HG       MET  68   6.146  -4.568   4.747
  521   2HG   MET  68          2HG       MET  68   4.696  -5.006   3.868
  522   1HE   MET  68          1HE       MET  68   8.262  -6.002   4.983
  523   2HE   MET  68          2HE       MET  68   6.913  -6.542   6.042
  524   3HE   MET  68          3HE       MET  68   7.926  -7.756   5.187
  525    H    MET  69           H        MET  69   6.187  -4.026  -0.022
  526    HA   MET  69           HA       MET  69   7.482  -1.735  -0.909
  527   1HB   MET  69          1HB       MET  69   6.352  -4.134  -2.275
  528   2HB   MET  69          2HB       MET  69   7.112  -2.852  -3.197
  529   1HG   MET  69          1HG       MET  69   8.400  -4.391  -0.958
  530   2HG   MET  69          2HG       MET  69   8.698  -4.637  -2.667
  531   1HE   MET  69          1HE       MET  69  10.946  -4.006  -3.390
  532   2HE   MET  69          2HE       MET  69   9.827  -2.907  -4.269
  533   3HE   MET  69          3HE       MET  69  11.363  -2.268  -3.587
  534    H    MET  70           H        MET  70   4.084  -2.492  -0.997
  535    HA   MET  70           HA       MET  70   3.319  -0.825  -3.117
  536   1HB   MET  70          1HB       MET  70   1.450  -1.883  -2.614
  537   2HB   MET  70          2HB       MET  70   2.109  -2.388  -1.072
  538   1HG   MET  70          1HG       MET  70   1.480   0.173  -0.548
  539   2HG   MET  70          2HG       MET  70   0.239  -0.244  -1.712
  540   1HE   MET  70          1HE       MET  70  -0.329   0.698   1.287
  541   2HE   MET  70          2HE       MET  70  -1.618   0.298   0.099
  542   3HE   MET  70          3HE       MET  70  -1.633  -0.460   1.729
  543    H    LEU  71           H        LEU  71   3.951  -0.250   0.293
  544    HA   LEU  71           HA       LEU  71   3.293   2.592  -0.062
  545   1HB   LEU  71          1HB       LEU  71   3.602   0.966   2.423
  546   2HB   LEU  71          2HB       LEU  71   3.250   2.682   2.376
  547    HG   LEU  71           HG       LEU  71   1.522   0.450   1.430
  548   1HD1  LEU  71          1HD1      LEU  71   1.552   0.707   3.847
  549   2HD1  LEU  71          2HD1      LEU  71   1.196   2.460   3.671
  550   3HD1  LEU  71          3HD1      LEU  71  -0.029   1.241   3.176
  551   1HD2  LEU  71          1HD2      LEU  71   0.992   3.428   1.256
  552   2HD2  LEU  71          2HD2      LEU  71   1.268   2.313  -0.128
  553   3HD2  LEU  71          3HD2      LEU  71  -0.196   2.127   0.898
  554    H    ASN  72           H        ASN  72   5.670   1.296  -1.124
  555    HA   ASN  72           HA       ASN  72   7.682   2.943   0.279
  556   1HB   ASN  72          1HB       ASN  72   7.959   0.166  -0.817
  557   2HB   ASN  72          2HB       ASN  72   9.334   1.188  -0.448
  558   1HD2  ASN  72          2HD2      ASN  72   8.713   2.421   1.843
  559   2HD2  ASN  72          1HD2      ASN  72   8.510   1.242   3.119
  560    H    GLU  73           H        GLU  73   5.843   2.882  -2.287
  561    HA   GLU  73           HA       GLU  73   7.808   3.024  -4.405
  562   1HB   GLU  73          1HB       GLU  73   5.094   3.991  -4.913
  563   2HB   GLU  73          2HB       GLU  73   6.069   2.845  -5.813
  564   1HG   GLU  73          1HG       GLU  73   5.564   1.283  -3.831
  565   2HG   GLU  73          2HG       GLU  73   4.236   2.388  -3.543
  566    HA   PRO  74           HA       PRO  74   8.201   7.357  -4.644
  567   1HB   PRO  74          1HB       PRO  74   7.383   8.168  -7.138
  568   2HB   PRO  74          2HB       PRO  74   8.925   7.416  -6.780
  569   1HG   PRO  74          1HG       PRO  74   6.567   6.264  -8.106
  570   2HG   PRO  74          2HG       PRO  74   8.230   5.713  -8.139
  571   1HD   PRO  74          1HD       PRO  74   6.102   4.656  -6.597
  572   2HD   PRO  74          2HD       PRO  74   7.787   4.182  -6.546
  573    H    MET  75           H        MET  75   5.944   6.710  -3.249
  574    HA   MET  75           HA       MET  75   4.515   9.136  -3.223
  575   1HB   MET  75          1HB       MET  75   3.633   7.376  -5.216
  576   2HB   MET  75          2HB       MET  75   2.458   7.253  -3.922
  577   1HG   MET  75          1HG       MET  75   3.423   9.842  -5.120
  578   2HG   MET  75          2HG       MET  75   1.917   9.050  -5.540
  579   1HE   MET  75          1HE       MET  75   0.306  10.939  -4.982
  580   2HE   MET  75          2HE       MET  75  -0.249   9.338  -4.380
  581   3HE   MET  75          3HE       MET  75  -0.456  10.804  -3.359
  582    H    TRP  76           H        TRP  76   5.851   7.066  -1.501
  583    HA   TRP  76           HA       TRP  76   3.908   7.090   0.614
  584   1HB   TRP  76          1HB       TRP  76   4.717   4.487  -0.598
  585   2HB   TRP  76          2HB       TRP  76   3.923   4.664   0.953
  586    HD1  TRP  76           HD       TRP  76   3.060   3.878  -2.508
  587    HE1  TRP  76           1HE      TRP  76   0.570   4.278  -3.025
  588    HE3  TRP  76           3HE      TRP  76   1.899   6.610   1.634
  589    HZ2  TRP  76           2HZ      TRP  76  -1.610   5.743  -1.841
  590    HZ3  TRP  76           3HZ      TRP  76  -0.361   7.623   1.821
  591    HH2  TRP  76           HH       TRP  76  -2.095   7.121   0.171
  592    H    ILE  77           H        ILE  77   5.424   8.270   1.742
  593    HA   ILE  77           HA       ILE  77   7.845   6.776   2.529
  594    HB   ILE  77           HB       ILE  77   7.817   9.561   1.443
  595   1HG1  ILE  77          1HG1      ILE  77   9.750   8.666   0.108
  596   2HG1  ILE  77          2HG1      ILE  77   9.321   7.075   0.705
  597   1HG2  ILE  77          1HG2      ILE  77   9.045   9.641   3.559
  598   2HG2  ILE  77          2HG2      ILE  77  10.035   8.233   3.039
  599   3HG2  ILE  77          3HG2      ILE  77  10.171   9.800   2.166
  600   1HD1  ILE  77          1HD1      ILE  77   7.066   7.288  -0.275
  601   2HD1  ILE  77          2HD1      ILE  77   7.505   8.921  -0.887
  602   3HD1  ILE  77          3HD1      ILE  77   8.347   7.466  -1.525
  603    H    ARG  78           H        ARG  78   7.397  10.110   3.390
  604    HA   ARG  78           HA       ARG  78   7.293   9.397   6.173
  605   1HB   ARG  78          1HB       ARG  78   7.090  11.844   6.501
  606   2HB   ARG  78          2HB       ARG  78   8.467  11.398   5.514
  607   1HG   ARG  78          1HG       ARG  78   6.810  11.774   3.523
  608   2HG   ARG  78          2HG       ARG  78   5.909  12.716   4.694
  609   1HD   ARG  78          1HD       ARG  78   8.829  13.198   4.312
  610   2HD   ARG  78          2HD       ARG  78   7.669  13.900   3.203
  611    HE   ARG  78           HE       ARG  78   8.208  14.744   5.904
  612   1HH1  ARG  78          1HH2      ARG  78   5.659  14.531   3.510
  613   2HH1  ARG  78          2HH2      ARG  78   4.744  15.841   4.220
  614   1HH2  ARG  78          1HH1      ARG  78   7.009  16.413   6.788
  615   2HH2  ARG  78          2HH1      ARG  78   5.497  16.891   6.049
  616    H    MET  79           H        MET  79   5.087  11.004   3.899
  617    HA   MET  79           HA       MET  79   2.905  11.446   5.512
  618   1HB   MET  79          1HB       MET  79   1.723  10.694   3.197
  619   2HB   MET  79          2HB       MET  79   2.455  12.265   3.452
  620   1HG   MET  79          1HG       MET  79   4.305  11.766   2.183
  621   2HG   MET  79          2HG       MET  79   4.183  10.044   2.492
  622   1HE   MET  79          1HE       MET  79   2.958   8.385   1.208
  623   2HE   MET  79          2HE       MET  79   1.467   9.138   1.874
  624   3HE   MET  79          3HE       MET  79   1.574   8.753   0.121
  625    H    ARG  80           H        ARG  80   3.919   8.456   3.893
  626    HA   ARG  80           HA       ARG  80   1.762   6.838   4.350
  627   1HB   ARG  80          1HB       ARG  80   3.548   5.892   3.191
  628   2HB   ARG  80          2HB       ARG  80   4.664   6.204   4.505
  629   1HG   ARG  80          1HG       ARG  80   3.423   4.586   5.903
  630   2HG   ARG  80          2HG       ARG  80   2.386   4.235   4.535
  631   1HD   ARG  80          1HD       ARG  80   3.891   2.551   4.304
  632   2HD   ARG  80          2HD       ARG  80   4.691   3.787   3.353
  633    HE   ARG  80           HE       ARG  80   5.486   2.793   6.000
  634   1HH1  ARG  80          1HH2      ARG  80   6.083   4.973   3.353
  635   2HH1  ARG  80          2HH2      ARG  80   7.693   5.367   3.910
  636   1HH2  ARG  80          1HH1      ARG  80   7.541   3.347   6.706
  637   2HH2  ARG  80          2HH1      ARG  80   8.501   4.468   5.767
  638    H    ASP  81           H        ASP  81   3.951   8.120   6.776
  639    HA   ASP  81           HA       ASP  81   3.896   6.743   8.955
  640   1HB   ASP  81          1HB       ASP  81   3.775   9.455   8.431
  641   2HB   ASP  81          2HB       ASP  81   2.471   9.175   9.567
  642    H    GLN  82           H        GLN  82   0.926   8.575   8.109
  643    HA   GLN  82           HA       GLN  82  -0.638   7.237  10.070
  644   1HB   GLN  82          1HB       GLN  82  -1.135   9.157   7.914
  645   2HB   GLN  82          2HB       GLN  82  -2.495   8.190   8.447
  646   1HG   GLN  82          1HG       GLN  82  -2.611  10.033   9.850
  647   2HG   GLN  82          2HG       GLN  82  -1.743   8.865  10.826
  648   1HE2  GLN  82          2HE2      GLN  82  -1.734  12.018   9.608
  649   2HE2  GLN  82          1HE2      GLN  82  -0.067  12.415   9.959
  650    H    VAL  83           H        VAL  83  -1.372   7.285   6.616
  651    HA   VAL  83           HA       VAL  83  -2.817   5.119   6.199
  652    HB   VAL  83           HB       VAL  83  -2.366   5.754   4.148
  653   1HG1  VAL  83          1HG1      VAL  83  -1.128   7.681   4.929
  654   2HG1  VAL  83          2HG1      VAL  83   0.361   6.682   5.043
  655   3HG1  VAL  83          3HG1      VAL  83  -0.385   7.005   3.439
  656   1HG2  VAL  83          1HG2      VAL  83   0.184   4.155   4.460
  657   2HG2  VAL  83          2HG2      VAL  83  -1.424   3.519   3.973
  658   3HG2  VAL  83          3HG2      VAL  83  -0.548   4.664   2.900
  659    H    MET  84           H        MET  84   0.671   4.839   6.785
  660    HA   MET  84           HA       MET  84   1.258   2.266   6.718
  661   1HB   MET  84          1HB       MET  84   2.373   4.401   7.944
  662   2HB   MET  84          2HB       MET  84   1.925   3.397   9.310
  663   1HG   MET  84          1HG       MET  84   2.995   1.538   7.756
  664   2HG   MET  84          2HG       MET  84   3.894   2.929   7.184
  665   1HE   MET  84          1HE       MET  84   5.394   4.479   8.613
  666   2HE   MET  84          2HE       MET  84   3.989   4.797   9.690
  667   3HE   MET  84          3HE       MET  84   5.575   4.327  10.395
  668    H    SER  85           H        SER  85   0.147   3.495   9.899
  669    HA   SER  85           HA       SER  85  -0.696   0.913  10.708
  670   1HB   SER  85          1HB       SER  85   0.037   2.890  12.153
  671   2HB   SER  85          2HB       SER  85  -1.602   3.479  11.953
  672    HG   SER  85           HG       SER  85  -1.369   2.156  13.825
  673    H    MET  86           H        MET  86  -1.943   1.340   8.275
  674    HA   MET  86           HA       MET  86  -4.711   1.014   8.935
  675   1HB   MET  86          1HB       MET  86  -3.613   3.367   7.513
  676   2HB   MET  86          2HB       MET  86  -5.168   2.717   7.034
  677   1HG   MET  86          1HG       MET  86  -4.428   3.684   9.777
  678   2HG   MET  86          2HG       MET  86  -5.455   4.517   8.627
  679   1HE   MET  86          1HE       MET  86  -6.000   3.456  11.746
  680   2HE   MET  86          2HE       MET  86  -7.100   4.566  10.856
  681   3HE   MET  86          3HE       MET  86  -7.750   3.065  11.605
  682    H    ALA  87           H        ALA  87  -2.192   1.281   6.424
  683    HA   ALA  87           HA       ALA  87  -3.687  -0.201   4.478
  684   1HB   ALA  87          1HB       ALA  87  -1.963   1.436   3.866
  685   2HB   ALA  87          2HB       ALA  87  -0.735   0.438   4.718
  686   3HB   ALA  87          3HB       ALA  87  -1.554  -0.203   3.252
  687    H    HIS  88           H        HIS  88  -2.274  -1.073   7.394
  688    HA   HIS  88           HA       HIS  88  -1.571  -3.763   6.454
  689   1HB   HIS  88          1HB       HIS  88  -1.320  -2.883   9.265
  690   2HB   HIS  88          2HB       HIS  88  -0.317  -3.984   8.342
  691    HD1  HIS  88           1HD      HIS  88   0.597  -1.392  10.125
  692    HD2  HIS  88           2HD      HIS  88   0.365  -1.783   5.927
  693    HE1  HIS  88           1HE      HIS  88   2.341   0.216   9.152
  694    HE2  HIS  88           2HE      HIS  88   2.043   0.111   6.591
  695    H    ASN  89           H        ASN  89  -4.157  -1.992   7.746
  696    HA   ASN  89           HA       ASN  89  -5.443  -4.451   8.784
  697   1HB   ASN  89          1HB       ASN  89  -6.096  -1.569   9.364
  698   2HB   ASN  89          2HB       ASN  89  -6.896  -2.968  10.053
  699   1HD2  ASN  89          2HD2      ASN  89  -3.538  -1.834   9.584
  700   2HD2  ASN  89          1HD2      ASN  89  -3.016  -2.164  11.220
  701    H    LEU  90           H        LEU  90  -5.459  -1.920   6.443
  702    HA   LEU  90           HA       LEU  90  -8.159  -2.067   5.628
  703   1HB   LEU  90          1HB       LEU  90  -5.641  -0.979   4.522
  704   2HB   LEU  90          2HB       LEU  90  -6.973  -1.227   3.411
  705    HG   LEU  90           HG       LEU  90  -7.145   0.386   5.936
  706   1HD1  LEU  90          1HD1      LEU  90  -5.592   1.415   4.358
  707   2HD1  LEU  90          2HD1      LEU  90  -6.827   1.277   3.059
  708   3HD1  LEU  90          3HD1      LEU  90  -7.117   2.362   4.463
  709   1HD2  LEU  90          1HD2      LEU  90  -9.048   0.133   3.587
  710   2HD2  LEU  90          2HD2      LEU  90  -9.302  -0.550   5.230
  711   3HD2  LEU  90          3HD2      LEU  90  -9.256   1.232   4.994
  712    HA   PRO  91           HA       PRO  91  -6.671  -5.287   2.517
  713   1HB   PRO  91          1HB       PRO  91  -4.167  -6.384   2.801
  714   2HB   PRO  91          2HB       PRO  91  -4.561  -5.068   1.715
  715   1HG   PRO  91          1HG       PRO  91  -3.132  -4.997   4.263
  716   2HG   PRO  91          2HG       PRO  91  -3.161  -3.807   2.977
  717   1HD   PRO  91          1HD       PRO  91  -4.553  -3.719   5.436
  718   2HD   PRO  91          2HD       PRO  91  -4.662  -2.582   4.108
  719    H    ILE  92           H        ILE  92  -5.281  -5.739   5.736
  720    HA   ILE  92           HA       ILE  92  -5.701  -8.513   5.919
  721    HB   ILE  92           HB       ILE  92  -5.392  -6.277   7.822
  722   1HG1  ILE  92          1HG1      ILE  92  -3.857  -8.581   6.871
  723   2HG1  ILE  92          2HG1      ILE  92  -3.328  -6.964   7.290
  724   1HG2  ILE  92          1HG2      ILE  92  -7.162  -7.582   8.880
  725   2HG2  ILE  92          2HG2      ILE  92  -6.186  -9.078   8.670
  726   3HG2  ILE  92          3HG2      ILE  92  -5.611  -7.778   9.770
  727   1HD1  ILE  92          1HD1      ILE  92  -3.464  -7.512   9.678
  728   2HD1  ILE  92          2HD1      ILE  92  -4.007  -9.172   9.249
  729   3HD1  ILE  92          3HD1      ILE  92  -2.355  -8.622   8.801
  730    H    GLU  93           H        GLU  93  -7.842  -5.786   6.743
  731    HA   GLU  93           HA       GLU  93  -9.983  -7.347   7.719
  732   1HB   GLU  93          1HB       GLU  93  -9.657  -4.594   6.702
  733   2HB   GLU  93          2HB       GLU  93 -11.285  -5.240   6.705
  734   1HG   GLU  93          1HG       GLU  93 -10.068  -5.919   9.188
  735   2HG   GLU  93          2HG       GLU  93  -9.798  -4.211   8.904
  736    H    CYS  94           H        CYS  94  -8.783  -6.919   4.519
  737    HA   CYS  94           HA       CYS  94 -11.233  -7.975   3.330
  738   1HB   CYS  94          1HB       CYS  94  -8.780  -6.679   2.345
  739   2HB   CYS  94          2HB       CYS  94  -9.584  -7.808   1.274
  740    H    ASN  95           H        ASN  95  -8.322  -9.105   4.665
  741    HA   ASN  95           HA       ASN  95  -7.716 -11.290   5.048
  742   1HB   ASN  95          1HB       ASN  95 -10.125 -11.823   4.144
  743   2HB   ASN  95          2HB       ASN  95  -9.242 -12.306   2.710
  744   1HD2  ASN  95          2HD2      ASN  95  -7.067 -13.525   3.500
  745   2HD2  ASN  95          1HD2      ASN  95  -7.424 -14.886   4.540
  746    H    LEU  96           H        LEU  96  -6.747  -9.168   3.082
  747    HA   LEU  96           HA       LEU  96  -5.607 -10.687   0.912
  748   1HB   LEU  96          1HB       LEU  96  -4.913  -7.917   1.782
  749   2HB   LEU  96          2HB       LEU  96  -4.658  -8.642   0.207
  750    HG   LEU  96           HG       LEU  96  -7.318  -8.016   1.426
  751   1HD1  LEU  96          1HD1      LEU  96  -6.136  -5.989   0.919
  752   2HD1  LEU  96          2HD1      LEU  96  -5.799  -6.589  -0.743
  753   3HD1  LEU  96          3HD1      LEU  96  -7.488  -6.236  -0.240
  754   1HD2  LEU  96          1HD2      LEU  96  -6.651  -9.008  -1.343
  755   2HD2  LEU  96          2HD2      LEU  96  -7.488  -9.927  -0.045
  756   3HD2  LEU  96          3HD2      LEU  96  -8.276  -8.487  -0.778
  757    H    MET  97           H        MET  97  -4.302  -8.959   3.741
  758    HA   MET  97           HA       MET  97  -2.042 -10.856   3.705
  759   1HB   MET  97          1HB       MET  97  -0.611  -9.090   4.473
  760   2HB   MET  97          2HB       MET  97  -1.402  -8.610   2.985
  761   1HG   MET  97          1HG       MET  97  -2.193  -6.802   3.994
  762   2HG   MET  97          2HG       MET  97  -3.062  -7.818   5.127
  763   1HE   MET  97          1HE       MET  97   0.621  -6.687   4.344
  764   2HE   MET  97          2HE       MET  97  -0.418  -5.243   4.601
  765   3HE   MET  97          3HE       MET  97   0.897  -5.623   5.767
  766    H    SER  98           H        SER  98  -4.678 -10.869   5.147
  767    HA   SER  98           HA       SER  98  -4.773 -10.161   7.708
  768   1HB   SER  98          1HB       SER  98  -5.797 -12.361   8.268
  769   2HB   SER  98          2HB       SER  98  -6.473 -11.576   6.856
  770    HG   SER  98           HG       SER  98  -6.053 -13.806   6.500
  771    H    GLN  99           H        GLN  99  -3.411 -13.383   7.124
  772    HA   GLN  99           HA       GLN  99  -0.952 -12.697   8.497
  773   1HB   GLN  99          1HB       GLN  99  -2.957 -13.314  10.125
  774   2HB   GLN  99          2HB       GLN  99  -2.434 -14.941   9.735
  775   1HG   GLN  99          1HG       GLN  99  -0.056 -14.027  10.243
  776   2HG   GLN  99          2HG       GLN  99  -0.910 -12.749  11.083
  777   1HE2  GLN  99          2HE2      GLN  99   0.854 -15.042  11.981
  778   2HE2  GLN  99          1HE2      GLN  99  -0.076 -15.836  13.233
  779    HA   PRO 100           HA       PRO 100  -0.935 -16.162   5.421
  780   1HB   PRO 100          1HB       PRO 100   0.346 -14.880   3.337
  781   2HB   PRO 100          2HB       PRO 100  -1.386 -15.114   3.458
  782   1HG   PRO 100          1HG       PRO 100   0.170 -12.669   3.835
  783   2HG   PRO 100          2HG       PRO 100  -1.553 -12.850   3.572
  784   1HD   PRO 100          1HD       PRO 100  -0.217 -12.327   6.030
  785   2HD   PRO 100          2HD       PRO 100  -1.935 -12.564   5.778
  786    H    CYS 101           H        CYS 101   1.644 -13.718   5.219
  787    HA   CYS 101           HA       CYS 101   3.698 -15.704   5.375
  788   1HB   CYS 101          1HB       CYS 101   4.228 -12.856   5.972
  789   2HB   CYS 101          2HB       CYS 101   5.176 -14.001   5.045
  790    H    GLN 102           H        GLN 102   5.554 -14.916   7.099
  791    HA   GLN 102           HA       GLN 102   4.217 -14.943   9.744
  792   1HB   GLN 102          1HB       GLN 102   6.623 -16.531   8.899
  793   2HB   GLN 102          2HB       GLN 102   5.997 -16.446  10.532
  794   1HG   GLN 102          1HG       GLN 102   3.892 -17.114   8.696
  795   2HG   GLN 102          2HG       GLN 102   5.232 -18.227   8.507
  796   1HE2  GLN 102          2HE2      GLN 102   3.664 -19.813   9.265
  797   2HE2  GLN 102          1HE2      GLN 102   3.445 -20.020  10.987
  798    H    MET 103           H        MET 103   6.109 -14.641  11.477
  799    HA   MET 103           HA       MET 103   7.902 -12.469  10.599
  800   1HB   MET 103          1HB       MET 103   5.527 -11.936  11.795
  801   2HB   MET 103          2HB       MET 103   6.589 -12.042  13.185
  802   1HG   MET 103          1HG       MET 103   8.029 -10.556  11.338
  803   2HG   MET 103          2HG       MET 103   6.388  -9.965  11.179
  804   1HE   MET 103          1HE       MET 103   6.421  -7.644  12.108
  805   2HE   MET 103          2HE       MET 103   5.106  -8.597  12.878
  806   3HE   MET 103          3HE       MET 103   6.106  -7.480  13.870
  Start of MODEL   19
    1    HA   PRO   1           HA       PRO   1  20.034   4.745   3.663
    2   1HB   PRO   1          1HB       PRO   1  17.765   6.240   3.498
    3   2HB   PRO   1          2HB       PRO   1  18.370   5.528   4.980
    4   1HG   PRO   1          1HG       PRO   1  18.411   8.350   4.142
    5   2HG   PRO   1          2HG       PRO   1  18.631   7.680   5.747
    6   1HD   PRO   1          1HD       PRO   1  20.641   8.577   3.929
    7   2HD   PRO   1          2HD       PRO   1  20.861   7.911   5.535
    8    H    TYR   2           H        TYR   2  21.118   4.453   1.688
    9    HA   TYR   2           HA       TYR   2  20.787   5.965  -0.642
   10   1HB   TYR   2          1HB       TYR   2  21.659   4.107  -1.759
   11   2HB   TYR   2          2HB       TYR   2  22.317   3.997  -0.139
   12    HD1  TYR   2           1HD      TYR   2  21.749   2.159   1.352
   13    HD2  TYR   2           2HD      TYR   2  19.840   2.571  -2.507
   14    HE1  TYR   2           1HE      TYR   2  20.794  -0.122   1.573
   15    HE2  TYR   2           2HE      TYR   2  18.868   0.297  -2.275
   16    HH   TYR   2           HH       TYR   2  18.770  -1.547  -0.989
   17    H    GLY   3           H        GLY   3  19.428   5.758  -2.486
   18   1HA   GLY   3          1HA       GLY   3  17.007   4.105  -2.231
   19   2HA   GLY   3          2HA       GLY   3  16.763   5.838  -2.284
   20    H    ARG   4           H        ARG   4  17.962   3.029  -4.040
   21    HA   ARG   4           HA       ARG   4  17.625   4.551  -6.569
   22   1HB   ARG   4          1HB       ARG   4  20.039   4.110  -5.942
   23   2HB   ARG   4          2HB       ARG   4  19.694   2.408  -6.170
   24   1HG   ARG   4          1HG       ARG   4  20.093   2.701  -8.369
   25   2HG   ARG   4          2HG       ARG   4  18.640   3.678  -8.439
   26   1HD   ARG   4          1HD       ARG   4  20.422   5.470  -7.445
   27   2HD   ARG   4          2HD       ARG   4  21.462   4.500  -8.469
   28    HE   ARG   4           HE       ARG   4  19.300   5.033 -10.067
   29   1HH1  ARG   4          1HH2      ARG   4  21.558   7.043  -8.304
   30   2HH1  ARG   4          2HH2      ARG   4  21.383   8.381  -9.418
   31   1HH2  ARG   4          1HH1      ARG   4  19.100   6.777 -11.447
   32   2HH2  ARG   4          2HH1      ARG   4  20.024   8.233 -11.154
   33    H    GLY   5           H        GLY   5  15.911   3.781  -7.610
   34   1HA   GLY   5          1HA       GLY   5  14.808   1.168  -7.110
   35   2HA   GLY   5          2HA       GLY   5  14.295   2.303  -8.343
   36    H    ARG   6           H        ARG   6  16.337  -0.429  -7.596
   37    HA   ARG   6           HA       ARG   6  16.525  -1.093 -10.421
   38   1HB   ARG   6          1HB       ARG   6  18.454   0.480 -10.004
   39   2HB   ARG   6          2HB       ARG   6  19.103  -0.729  -8.915
   40   1HG   ARG   6          1HG       ARG   6  18.265  -1.874 -11.457
   41   2HG   ARG   6          2HG       ARG   6  19.489  -0.638 -11.666
   42   1HD   ARG   6          1HD       ARG   6  19.801  -2.880  -9.684
   43   2HD   ARG   6          2HD       ARG   6  20.324  -3.027 -11.349
   44    HE   ARG   6           HE       ARG   6  21.677  -1.634  -9.238
   45   1HH1  ARG   6          1HH2      ARG   6  21.088  -1.530 -12.689
   46   2HH1  ARG   6          2HH2      ARG   6  22.535  -0.599 -13.006
   47   1HH2  ARG   6          1HH1      ARG   6  23.505  -0.418  -9.706
   48   2HH2  ARG   6          2HH1      ARG   6  23.864   0.012 -11.363
   49    H    THR   7           H        THR   7  15.383  -2.936  -9.837
   50    HA   THR   7           HA       THR   7  16.979  -5.006  -8.507
   51    HB   THR   7           HB       THR   7  15.148  -5.537  -6.909
   52    HG1  THR   7           1HG      THR   7  13.592  -3.875  -6.596
   53   1HG2  THR   7          1HG2      THR   7  17.058  -4.154  -6.103
   54   2HG2  THR   7          2HG2      THR   7  16.172  -2.682  -6.633
   55   3HG2  THR   7          3HG2      THR   7  15.511  -3.701  -5.307
   56    H    GLU   8           H        GLU   8  15.302  -7.045  -8.322
   57    HA   GLU   8           HA       GLU   8  14.535  -7.540 -11.075
   58   1HB   GLU   8          1HB       GLU   8  14.364  -9.239  -8.604
   59   2HB   GLU   8          2HB       GLU   8  13.964  -9.795 -10.217
   60   1HG   GLU   8          1HG       GLU   8  16.304  -9.037 -10.895
   61   2HG   GLU   8          2HG       GLU   8  16.643  -8.894  -9.182
   62    H    SER   9           H        SER   9  12.400  -8.832 -11.398
   63    HA   SER   9           HA       SER   9  10.189  -7.127 -10.577
   64   1HB   SER   9          1HB       SER   9  10.279  -7.804 -12.856
   65   2HB   SER   9          2HB       SER   9  10.482  -9.488 -12.417
   66    HG   SER   9           HG       SER   9   8.353  -9.007 -13.081
   67    H    GLY  10           H        GLY  10   8.050  -8.565 -10.175
   68   1HA   GLY  10          1HA       GLY  10   7.646 -10.907  -9.094
   69   2HA   GLY  10          2HA       GLY  10   8.528 -10.190  -7.761
   70    H    CYS  11           H        CYS  11   6.745 -10.127  -6.346
   71    HA   CYS  11           HA       CYS  11   4.144  -9.453  -6.851
   72   1HB   CYS  11          1HB       CYS  11   5.683  -8.500  -4.501
   73   2HB   CYS  11          2HB       CYS  11   3.961  -8.808  -4.597
   74    H    TYR  12           H        TYR  12   6.583  -7.089  -5.762
   75    HA   TYR  12           HA       TYR  12   5.329  -4.700  -6.097
   76   1HB   TYR  12          1HB       TYR  12   7.637  -5.126  -5.359
   77   2HB   TYR  12          2HB       TYR  12   8.090  -5.367  -7.033
   78    HD1  TYR  12           1HD      TYR  12   9.213  -3.594  -8.019
   79    HD2  TYR  12           2HD      TYR  12   6.139  -2.817  -5.084
   80    HE1  TYR  12           1HE      TYR  12   9.628  -1.154  -8.215
   81    HE2  TYR  12           2HE      TYR  12   6.602  -0.387  -5.233
   82    HH   TYR  12           HH       TYR  12   7.751   1.187  -6.255
   83    H    GLN  13           H        GLN  13   6.926  -6.510  -8.725
   84    HA   GLN  13           HA       GLN  13   6.262  -4.727 -10.799
   85   1HB   GLN  13          1HB       GLN  13   7.825  -6.707 -10.847
   86   2HB   GLN  13          2HB       GLN  13   6.400  -7.698 -11.075
   87   1HG   GLN  13          1HG       GLN  13   6.418  -5.447 -12.891
   88   2HG   GLN  13          2HG       GLN  13   7.865  -6.419 -13.064
   89   1HE2  GLN  13          2HE2      GLN  13   4.329  -6.476 -13.178
   90   2HE2  GLN  13          1HE2      GLN  13   4.198  -7.957 -14.100
   91    H    GLN  14           H        GLN  14   4.395  -7.593  -9.641
   92    HA   GLN  14           HA       GLN  14   2.193  -7.027 -11.415
   93   1HB   GLN  14          1HB       GLN  14   2.401  -8.732  -8.953
   94   2HB   GLN  14          2HB       GLN  14   1.017  -8.703 -10.027
   95   1HG   GLN  14          1HG       GLN  14   2.041 -10.030 -11.541
   96   2HG   GLN  14          2HG       GLN  14   3.524  -9.100 -11.467
   97   1HE2  GLN  14          2HE2      GLN  14   4.182  -9.392  -8.774
   98   2HE2  GLN  14          1HE2      GLN  14   4.561 -11.072  -8.469
   99    H    MET  15           H        MET  15   3.206  -5.490  -8.601
  100    HA   MET  15           HA       MET  15   0.544  -4.691  -7.687
  101   1HB   MET  15          1HB       MET  15   3.321  -4.319  -6.686
  102   2HB   MET  15          2HB       MET  15   2.013  -3.316  -6.092
  103   1HG   MET  15          1HG       MET  15   0.913  -5.776  -5.862
  104   2HG   MET  15          2HG       MET  15   2.601  -6.136  -5.563
  105   1HE   MET  15          1HE       MET  15   4.101  -5.074  -3.898
  106   2HE   MET  15          2HE       MET  15   3.703  -3.473  -4.612
  107   3HE   MET  15          3HE       MET  15   3.648  -3.702  -2.829
  108    H    GLU  16           H        GLU  16   3.595  -2.988  -8.582
  109    HA   GLU  16           HA       GLU  16   2.408  -0.453  -8.892
  110   1HB   GLU  16          1HB       GLU  16   4.457   0.215  -9.680
  111   2HB   GLU  16          2HB       GLU  16   4.902  -1.261  -8.846
  112   1HG   GLU  16          1HG       GLU  16   4.634  -2.426 -11.099
  113   2HG   GLU  16          2HG       GLU  16   4.596  -0.821 -11.801
  114    H    GLU  17           H        GLU  17   2.630  -3.206 -11.089
  115    HA   GLU  17           HA       GLU  17   1.832  -1.773 -13.450
  116   1HB   GLU  17          1HB       GLU  17   2.991  -4.045 -13.308
  117   2HB   GLU  17          2HB       GLU  17   1.405  -4.700 -12.957
  118   1HG   GLU  17          1HG       GLU  17   0.827  -3.228 -15.138
  119   2HG   GLU  17          2HG       GLU  17   2.491  -3.648 -15.489
  120    H    ALA  18           H        ALA  18   0.178  -2.997 -10.699
  121    HA   ALA  18           HA       ALA  18  -2.373  -2.280 -11.974
  122   1HB   ALA  18          1HB       ALA  18  -2.213  -4.718 -11.857
  123   2HB   ALA  18          2HB       ALA  18  -1.829  -4.609 -10.104
  124   3HB   ALA  18          3HB       ALA  18  -3.450  -4.111 -10.702
  125    H    GLU  19           H        GLU  19  -0.896  -0.381 -10.615
  126    HA   GLU  19           HA       GLU  19  -0.848  -0.154  -7.910
  127   1HB   GLU  19          1HB       GLU  19  -0.143   1.492  -9.778
  128   2HB   GLU  19          2HB       GLU  19  -1.728   2.193  -9.530
  129   1HG   GLU  19          1HG       GLU  19  -0.668   3.390  -7.928
  130   2HG   GLU  19          2HG       GLU  19  -0.906   1.940  -6.973
  131    H    MET  20           H        MET  20  -2.460  -1.058  -6.751
  132    HA   MET  20           HA       MET  20  -5.229  -0.121  -7.304
  133   1HB   MET  20          1HB       MET  20  -5.988  -2.165  -6.522
  134   2HB   MET  20          2HB       MET  20  -4.605  -2.544  -7.528
  135   1HG   MET  20          1HG       MET  20  -4.075  -3.881  -5.794
  136   2HG   MET  20          2HG       MET  20  -3.392  -2.403  -5.146
  137   1HE   MET  20          1HE       MET  20  -7.211  -2.913  -5.602
  138   2HE   MET  20          2HE       MET  20  -6.659  -4.597  -5.296
  139   3HE   MET  20          3HE       MET  20  -7.661  -3.744  -4.072
  140    H    LEU  21           H        LEU  21  -2.718  -0.600  -4.965
  141    HA   LEU  21           HA       LEU  21  -4.321   0.378  -2.783
  142   1HB   LEU  21          1HB       LEU  21  -1.407  -0.148  -3.045
  143   2HB   LEU  21          2HB       LEU  21  -2.246   0.233  -1.555
  144    HG   LEU  21           HG       LEU  21  -3.323  -2.053  -2.962
  145   1HD1  LEU  21          1HD1      LEU  21  -1.075  -2.508  -3.627
  146   2HD1  LEU  21          2HD1      LEU  21  -0.508  -2.315  -1.932
  147   3HD1  LEU  21          3HD1      LEU  21  -1.592  -3.681  -2.367
  148   1HD2  LEU  21          1HD2      LEU  21  -2.468  -1.686  -0.097
  149   2HD2  LEU  21          2HD2      LEU  21  -4.128  -1.536  -0.769
  150   3HD2  LEU  21          3HD2      LEU  21  -3.305  -3.134  -0.757
  151    H    ASN  22           H        ASN  22  -3.162   1.867  -5.424
  152    HA   ASN  22           HA       ASN  22  -2.104   4.294  -4.323
  153   1HB   ASN  22          1HB       ASN  22  -1.626   4.552  -6.468
  154   2HB   ASN  22          2HB       ASN  22  -2.618   3.164  -6.870
  155   1HD2  ASN  22          2HD2      ASN  22  -4.632   3.428  -7.715
  156   2HD2  ASN  22          1HD2      ASN  22  -5.268   4.983  -8.200
  157    H    HIS  23           H        HIS  23  -5.288   2.970  -4.764
  158    HA   HIS  23           HA       HIS  23  -6.649   5.521  -4.816
  159   1HB   HIS  23          1HB       HIS  23  -7.755   2.771  -4.349
  160   2HB   HIS  23          2HB       HIS  23  -8.678   4.209  -4.732
  161    HD1  HIS  23           1HD      HIS  23  -9.330   4.390  -7.182
  162    HD2  HIS  23           2HD      HIS  23  -5.840   2.121  -6.478
  163    HE1  HIS  23           1HE      HIS  23  -8.536   3.513  -9.477
  164    HE2  HIS  23           2HE      HIS  23  -6.391   2.153  -9.031
  165    H    CYS  24           H        CYS  24  -6.793   2.761  -2.512
  166    HA   CYS  24           HA       CYS  24  -7.817   4.117  -0.322
  167   1HB   CYS  24          1HB       CYS  24  -6.373   2.522   1.051
  168   2HB   CYS  24          2HB       CYS  24  -7.583   1.839  -0.017
  169    H    GLY  25           H        GLY  25  -4.521   4.252  -1.582
  170   1HA   GLY  25          1HA       GLY  25  -3.134   5.523   0.378
  171   2HA   GLY  25          2HA       GLY  25  -3.022   5.928  -1.323
  172    H    MET  26           H        MET  26  -4.867   7.470  -2.122
  173    HA   MET  26           HA       MET  26  -4.779   9.891  -0.760
  174   1HB   MET  26          1HB       MET  26  -6.395   8.725  -2.890
  175   2HB   MET  26          2HB       MET  26  -7.263   9.925  -1.953
  176   1HG   MET  26          1HG       MET  26  -6.245  11.485  -3.177
  177   2HG   MET  26          2HG       MET  26  -4.754  11.041  -2.373
  178   1HE   MET  26          1HE       MET  26  -3.986  12.295  -4.799
  179   2HE   MET  26          2HE       MET  26  -2.868  11.208  -3.906
  180   3HE   MET  26          3HE       MET  26  -3.021  11.070  -5.693
  181    H    TYR  27           H        TYR  27  -7.164   7.242  -0.312
  182    HA   TYR  27           HA       TYR  27  -8.983   8.532   1.357
  183   1HB   TYR  27          1HB       TYR  27  -8.677   6.118   0.345
  184   2HB   TYR  27          2HB       TYR  27  -8.067   5.783   1.954
  185    HD1  TYR  27           1HD      TYR  27  -9.496   5.211   3.676
  186    HD2  TYR  27           2HD      TYR  27 -10.978   7.214   0.138
  187    HE1  TYR  27           1HE      TYR  27 -11.830   4.884   4.472
  188    HE2  TYR  27           2HE      TYR  27 -13.310   6.925   0.956
  189    HH   TYR  27           HH       TYR  27 -14.590   6.079   2.547
  190    H    LEU  28           H        LEU  28  -5.926   6.965   2.237
  191    HA   LEU  28           HA       LEU  28  -6.270   7.732   5.036
  192   1HB   LEU  28          1HB       LEU  28  -3.855   6.401   3.962
  193   2HB   LEU  28          2HB       LEU  28  -4.593   6.263   5.544
  194    HG   LEU  28           HG       LEU  28  -5.942   5.220   3.137
  195   1HD1  LEU  28          1HD1      LEU  28  -3.785   4.233   2.940
  196   2HD1  LEU  28          2HD1      LEU  28  -3.844   3.705   4.658
  197   3HD1  LEU  28          3HD1      LEU  28  -4.982   2.996   3.460
  198   1HD2  LEU  28          1HD2      LEU  28  -6.107   4.471   6.021
  199   2HD2  LEU  28          2HD2      LEU  28  -7.303   5.395   5.048
  200   3HD2  LEU  28          3HD2      LEU  28  -6.988   3.664   4.678
  201    H    MET  29           H        MET  29  -4.634   8.777   2.200
  202    HA   MET  29           HA       MET  29  -2.872  10.655   3.523
  203   1HB   MET  29          1HB       MET  29  -2.660   9.221   1.201
  204   2HB   MET  29          2HB       MET  29  -3.028  10.839   0.637
  205   1HG   MET  29          1HG       MET  29  -0.886  10.205   2.633
  206   2HG   MET  29          2HG       MET  29  -0.600  10.334   0.909
  207   1HE   MET  29          1HE       MET  29  -0.153  12.333  -0.375
  208   2HE   MET  29          2HE       MET  29  -1.924  12.620  -0.264
  209   3HE   MET  29          3HE       MET  29  -0.773  13.966   0.049
  210    H    LYS  30           H        LYS  30  -6.042  10.720   3.136
  211    HA   LYS  30           HA       LYS  30  -6.307  13.295   1.779
  212   1HB   LYS  30          1HB       LYS  30  -8.060  11.101   2.464
  213   2HB   LYS  30          2HB       LYS  30  -8.744  12.626   2.989
  214   1HG   LYS  30          1HG       LYS  30  -8.226  13.521   0.660
  215   2HG   LYS  30          2HG       LYS  30  -7.871  11.870   0.196
  216   1HD   LYS  30          1HD       LYS  30 -10.112  12.115  -0.416
  217   2HD   LYS  30          2HD       LYS  30 -10.219  11.339   1.151
  218   1HE   LYS  30          1HE       LYS  30 -10.086  14.100   1.669
  219   2HE   LYS  30          2HE       LYS  30 -11.214  13.919   0.341
  220   1HZ   LYS  30          1HZ       LYS  30 -12.410  12.314   1.641
  221   2HZ   LYS  30          2HZ       LYS  30 -11.344  12.485   2.895
  222   3HZ   LYS  30          3HZ       LYS  30 -12.311  13.754   2.452
  223    H    ASN  31           H        ASN  31  -6.441  11.875   5.019
  224    HA   ASN  31           HA       ASN  31  -6.753  14.521   6.243
  225   1HB   ASN  31          1HB       ASN  31  -7.793  12.462   7.158
  226   2HB   ASN  31          2HB       ASN  31  -6.189  11.842   7.492
  227   1HD2  ASN  31          2HD2      ASN  31  -6.267  11.779   9.704
  228   2HD2  ASN  31          1HD2      ASN  31  -6.473  13.202  10.700
  229    H    LEU  32           H        LEU  32  -4.166  12.707   4.996
  230    HA   LEU  32           HA       LEU  32  -2.213  13.682   6.909
  231   1HB   LEU  32          1HB       LEU  32  -1.979  12.209   4.321
  232   2HB   LEU  32          2HB       LEU  32  -0.598  12.683   5.287
  233    HG   LEU  32           HG       LEU  32  -2.851  11.011   6.359
  234   1HD1  LEU  32          1HD1      LEU  32  -1.772   9.844   4.483
  235   2HD1  LEU  32          2HD1      LEU  32  -0.168  10.144   5.239
  236   3HD1  LEU  32          3HD1      LEU  32  -1.361   9.073   6.054
  237   1HD2  LEU  32          1HD2      LEU  32  -0.014  11.528   7.311
  238   2HD2  LEU  32          2HD2      LEU  32  -1.507  12.227   8.029
  239   3HD2  LEU  32          3HD2      LEU  32  -1.212  10.456   8.116
  240    H    GLY  33           H        GLY  33  -3.763  14.939   4.150
  241   1HA   GLY  33          1HA       GLY  33  -3.484  16.809   2.892
  242   2HA   GLY  33          2HA       GLY  33  -2.541  17.459   4.218
  243    H    GLU  34           H        GLU  34  -1.952  18.151   1.607
  244    HA   GLU  34           HA       GLU  34   0.761  17.052   1.418
  245   1HB   GLU  34          1HB       GLU  34  -0.958  15.735  -0.076
  246   2HB   GLU  34          2HB       GLU  34  -0.736  17.106  -1.145
  247   1HG   GLU  34          1HG       GLU  34   1.755  16.747  -0.917
  248   2HG   GLU  34          2HG       GLU  34   1.392  15.247  -0.089
  249    H    ARG  35           H        ARG  35   1.549  19.027   2.015
  250    HA   ARG  35           HA       ARG  35   0.657  21.445   0.698
  251   1HB   ARG  35          1HB       ARG  35   1.784  21.087   3.042
  252   2HB   ARG  35          2HB       ARG  35   3.262  21.286   2.122
  253   1HG   ARG  35          1HG       ARG  35   1.756  23.330   1.134
  254   2HG   ARG  35          2HG       ARG  35   1.184  23.266   2.789
  255   1HD   ARG  35          1HD       ARG  35   4.060  23.059   2.703
  256   2HD   ARG  35          2HD       ARG  35   3.521  24.498   1.862
  257    HE   ARG  35           HE       ARG  35   2.985  25.443   3.880
  258   1HH1  ARG  35          1HH2      ARG  35   3.148  21.970   4.348
  259   2HH1  ARG  35          2HH2      ARG  35   2.858  22.100   6.068
  260   1HH2  ARG  35          1HH1      ARG  35   2.591  25.526   6.084
  261   2HH2  ARG  35          2HH1      ARG  35   2.552  24.048   7.019
  262    H    SER  36           H        SER  36   0.988  21.534  -1.485
  263    HA   SER  36           HA       SER  36   3.605  22.060  -2.451
  264   1HB   SER  36          1HB       SER  36   3.213  19.329  -2.225
  265   2HB   SER  36          2HB       SER  36   2.816  19.654  -3.899
  266    HG   SER  36           HG       SER  36   5.068  19.286  -3.588
  267    H    GLN  37           H        GLN  37   0.703  20.372  -3.664
  268    HA   GLN  37           HA       GLN  37  -0.347  22.684  -4.972
  269   1HB   GLN  37          1HB       GLN  37   0.019  22.065  -7.278
  270   2HB   GLN  37          2HB       GLN  37   1.569  22.217  -6.476
  271   1HG   GLN  37          1HG       GLN  37   0.601  19.514  -6.271
  272   2HG   GLN  37          2HG       GLN  37   0.623  20.024  -7.946
  273   1HE2  GLN  37          2HE2      GLN  37   2.312  18.773  -8.636
  274   2HE2  GLN  37          1HE2      GLN  37   3.954  18.993  -8.074
  275    H    VAL  38           H        VAL  38  -2.112  21.947  -6.602
  276    HA   VAL  38           HA       VAL  38  -3.187  19.290  -6.152
  277    HB   VAL  38           HB       VAL  38  -3.829  20.602  -4.128
  278   1HG1  VAL  38          1HG1      VAL  38  -4.150  22.804  -5.133
  279   2HG1  VAL  38          2HG1      VAL  38  -5.535  22.165  -6.087
  280   3HG1  VAL  38          3HG1      VAL  38  -5.644  22.258  -4.294
  281   1HG2  VAL  38          1HG2      VAL  38  -6.084  19.613  -5.888
  282   2HG2  VAL  38          2HG2      VAL  38  -5.073  18.619  -4.783
  283   3HG2  VAL  38          3HG2      VAL  38  -6.180  19.865  -4.111
  284    H    SER  39           H        SER  39  -4.801  18.747  -7.638
  285    HA   SER  39           HA       SER  39  -5.918  20.769  -9.379
  286   1HB   SER  39          1HB       SER  39  -3.415  19.891 -10.094
  287   2HB   SER  39          2HB       SER  39  -4.466  18.835 -11.016
  288    HG   SER  39           HG       SER  39  -3.952  20.760 -12.142
  289    HA   PRO  40           HA       PRO  40  -8.881  17.574  -9.823
  290   1HB   PRO  40          1HB       PRO  40  -9.994  18.180 -12.283
  291   2HB   PRO  40          2HB       PRO  40 -10.409  18.975 -10.777
  292   1HG   PRO  40          1HG       PRO  40  -8.820  20.003 -13.027
  293   2HG   PRO  40          2HG       PRO  40  -9.580  20.891 -11.723
  294   1HD   PRO  40          1HD       PRO  40  -6.834  20.227 -11.974
  295   2HD   PRO  40          2HD       PRO  40  -7.615  21.011 -10.615
  296    H    ARG  41           H        ARG  41  -7.379  15.847  -9.924
  297    HA   ARG  41           HA       ARG  41  -5.899  14.996 -12.108
  298   1HB   ARG  41          1HB       ARG  41  -6.032  14.045  -9.696
  299   2HB   ARG  41          2HB       ARG  41  -7.262  12.991 -10.361
  300   1HG   ARG  41          1HG       ARG  41  -5.293  11.753 -10.647
  301   2HG   ARG  41          2HG       ARG  41  -5.523  12.499 -12.215
  302   1HD   ARG  41          1HD       ARG  41  -3.821  14.062 -11.862
  303   2HD   ARG  41          2HD       ARG  41  -3.881  13.874 -10.121
  304    HE   ARG  41           HE       ARG  41  -2.373  12.270 -12.009
  305   1HH1  ARG  41          1HH2      ARG  41  -3.823  12.249  -8.808
  306   2HH1  ARG  41          2HH2      ARG  41  -2.766  10.976  -8.239
  307   1HH2  ARG  41          1HH1      ARG  41  -1.057  10.641 -11.207
  308   2HH2  ARG  41          2HH1      ARG  41  -1.250  10.096  -9.556
  309    H    MET  42           H        MET  42  -8.995  13.568 -11.143
  310    HA   MET  42           HA       MET  42  -9.945  13.585 -13.900
  311   1HB   MET  42          1HB       MET  42  -9.487  10.998 -12.431
  312   2HB   MET  42          2HB       MET  42 -10.311  11.166 -13.968
  313   1HG   MET  42          1HG       MET  42  -8.179  12.223 -14.828
  314   2HG   MET  42          2HG       MET  42  -7.420  11.649 -13.356
  315   1HE   MET  42          1HE       MET  42  -6.336   9.543 -13.050
  316   2HE   MET  42          2HE       MET  42  -7.993   9.010 -12.600
  317   3HE   MET  42          3HE       MET  42  -6.981   7.988 -13.679
  318    H    ARG  43           H        ARG  43 -10.455  12.139 -10.684
  319    HA   ARG  43           HA       ARG  43 -12.753  13.447  -9.918
  320   1HB   ARG  43          1HB       ARG  43 -13.338  11.584 -12.030
  321   2HB   ARG  43          2HB       ARG  43 -14.124  11.071 -10.551
  322   1HG   ARG  43          1HG       ARG  43 -15.594  12.773 -10.619
  323   2HG   ARG  43          2HG       ARG  43 -14.344  13.941 -10.996
  324   1HD   ARG  43          1HD       ARG  43 -14.870  12.226 -13.259
  325   2HD   ARG  43          2HD       ARG  43 -16.340  13.004 -12.709
  326    HE   ARG  43           HE       ARG  43 -14.237  14.218 -14.185
  327   1HH1  ARG  43          1HH2      ARG  43 -16.518  14.933 -11.631
  328   2HH1  ARG  43          2HH2      ARG  43 -16.406  16.660 -11.884
  329   1HH2  ARG  43          1HH1      ARG  43 -14.081  16.454 -14.414
  330   2HH2  ARG  43          2HH1      ARG  43 -15.068  17.495 -13.413
  331    H    GLU  44           H        GLU  44 -13.837  12.485  -8.115
  332    HA   GLU  44           HA       GLU  44 -12.868   9.931  -7.120
  333   1HB   GLU  44          1HB       GLU  44 -11.971  10.822  -5.046
  334   2HB   GLU  44          2HB       GLU  44 -11.090  11.451  -6.425
  335   1HG   GLU  44          1HG       GLU  44 -11.589  13.571  -5.878
  336   2HG   GLU  44          2HG       GLU  44 -13.290  13.194  -5.698
  337    H    GLU  45           H        GLU  45 -14.253   8.972  -5.688
  338    HA   GLU  45           HA       GLU  45 -16.431  10.637  -4.572
  339   1HB   GLU  45          1HB       GLU  45 -16.707   8.422  -6.530
  340   2HB   GLU  45          2HB       GLU  45 -17.895   8.522  -5.246
  341   1HG   GLU  45          1HG       GLU  45 -18.964   9.972  -6.609
  342   2HG   GLU  45          2HG       GLU  45 -17.757  11.126  -6.080
  343    H    ASP  46           H        ASP  46 -15.268   7.258  -4.803
  344    HA   ASP  46           HA       ASP  46 -14.926   7.147  -1.905
  345   1HB   ASP  46          1HB       ASP  46 -17.406   6.402  -2.933
  346   2HB   ASP  46          2HB       ASP  46 -16.542   4.889  -2.747
  347    H    HIS  47           H        HIS  47 -13.254   5.805  -1.458
  348    HA   HIS  47           HA       HIS  47 -12.573   3.714  -3.444
  349   1HB   HIS  47          1HB       HIS  47 -10.710   5.722  -2.216
  350   2HB   HIS  47          2HB       HIS  47 -10.166   4.274  -3.039
  351    HD1  HIS  47           1HD      HIS  47 -12.596   4.703  -5.329
  352    HD2  HIS  47           2HD      HIS  47  -9.406   7.232  -4.189
  353    HE1  HIS  47           1HE      HIS  47 -12.340   6.435  -7.217
  354    HE2  HIS  47           2HE      HIS  47 -10.309   7.886  -6.561
  355    H    LYS  48           H        LYS  48 -12.702   1.823  -2.542
  356    HA   LYS  48           HA       LYS  48 -11.367   1.281  -0.026
  357   1HB   LYS  48          1HB       LYS  48 -13.993   2.127   0.181
  358   2HB   LYS  48          2HB       LYS  48 -14.120   0.380   0.234
  359   1HG   LYS  48          1HG       LYS  48 -12.009   0.740   1.879
  360   2HG   LYS  48          2HG       LYS  48 -12.873   2.237   2.166
  361   1HD   LYS  48          1HD       LYS  48 -14.832   0.240   2.208
  362   2HD   LYS  48          2HD       LYS  48 -13.479  -0.422   3.103
  363   1HE   LYS  48          1HE       LYS  48 -13.592   2.119   4.088
  364   2HE   LYS  48          2HE       LYS  48 -15.286   1.779   3.799
  365   1HZ   LYS  48          1HZ       LYS  48 -15.056  -0.219   5.089
  366   2HZ   LYS  48          2HZ       LYS  48 -13.455   0.101   5.363
  367   3HZ   LYS  48          3HZ       LYS  48 -14.618   1.101   5.988
  368    H    GLN  49           H        GLN  49 -13.865   0.069  -2.275
  369    HA   GLN  49           HA       GLN  49 -12.847  -2.641  -2.128
  370   1HB   GLN  49          1HB       GLN  49 -14.942  -1.212  -3.674
  371   2HB   GLN  49          2HB       GLN  49 -14.360  -2.749  -4.282
  372   1HG   GLN  49          1HG       GLN  49 -14.730  -3.264  -1.612
  373   2HG   GLN  49          2HG       GLN  49 -16.052  -2.172  -1.971
  374   1HE2  GLN  49          2HE2      GLN  49 -16.662  -4.671  -1.151
  375   2HE2  GLN  49          1HE2      GLN  49 -17.257  -5.635  -2.484
  376    H    LEU  50           H        LEU  50 -12.087   0.166  -4.055
  377    HA   LEU  50           HA       LEU  50 -10.707  -1.301  -6.126
  378   1HB   LEU  50          1HB       LEU  50 -10.980   1.538  -5.257
  379   2HB   LEU  50          2HB       LEU  50  -9.708   1.109  -6.382
  380    HG   LEU  50           HG       LEU  50 -12.522   0.241  -6.910
  381   1HD1  LEU  50          1HD1      LEU  50 -12.687   2.648  -6.443
  382   2HD1  LEU  50          2HD1      LEU  50 -11.351   2.962  -7.604
  383   3HD1  LEU  50          3HD1      LEU  50 -12.924   2.324  -8.195
  384   1HD2  LEU  50          1HD2      LEU  50 -10.188   0.941  -8.737
  385   2HD2  LEU  50          2HD2      LEU  50 -10.729  -0.718  -8.308
  386   3HD2  LEU  50          3HD2      LEU  50 -11.799   0.354  -9.278
  387    H    CYS  51           H        CYS  51 -10.016  -0.925  -2.893
  388    HA   CYS  51           HA       CYS  51  -7.111  -1.255  -3.338
  389   1HB   CYS  51          1HB       CYS  51  -8.000   0.537  -1.778
  390   2HB   CYS  51          2HB       CYS  51  -8.492  -0.786  -0.738
  391    H    CYS  52           H        CYS  52  -9.866  -3.127  -3.023
  392    HA   CYS  52           HA       CYS  52  -8.224  -5.370  -1.950
  393   1HB   CYS  52          1HB       CYS  52 -10.163  -4.608  -0.582
  394   2HB   CYS  52          2HB       CYS  52 -11.199  -5.112  -1.902
  395    H    MET  53           H        MET  53 -10.395  -4.231  -4.452
  396    HA   MET  53           HA       MET  53 -11.077  -6.543  -5.821
  397   1HB   MET  53          1HB       MET  53 -12.021  -4.475  -6.524
  398   2HB   MET  53          2HB       MET  53 -10.439  -3.784  -6.823
  399   1HG   MET  53          1HG       MET  53 -11.491  -4.431  -8.934
  400   2HG   MET  53          2HG       MET  53 -10.073  -5.415  -8.633
  401   1HE   MET  53          1HE       MET  53 -10.403  -7.477 -10.033
  402   2HE   MET  53          2HE       MET  53 -10.009  -7.933  -8.339
  403   3HE   MET  53          3HE       MET  53 -11.273  -8.839  -9.244
  404    H    GLN  54           H        GLN  54  -8.410  -4.361  -6.909
  405    HA   GLN  54           HA       GLN  54  -7.293  -6.328  -8.623
  406   1HB   GLN  54          1HB       GLN  54  -6.757  -3.701  -7.816
  407   2HB   GLN  54          2HB       GLN  54  -5.297  -4.621  -7.508
  408   1HG   GLN  54          1HG       GLN  54  -4.771  -4.300  -9.632
  409   2HG   GLN  54          2HG       GLN  54  -6.078  -5.391 -10.046
  410   1HE2  GLN  54          2HE2      GLN  54  -5.232  -1.969  -9.553
  411   2HE2  GLN  54          1HE2      GLN  54  -6.611  -1.321 -10.412
  412    H    LEU  55           H        LEU  55  -6.836  -5.777  -5.139
  413    HA   LEU  55           HA       LEU  55  -4.601  -7.419  -4.725
  414   1HB   LEU  55          1HB       LEU  55  -6.705  -6.207  -3.232
  415   2HB   LEU  55          2HB       LEU  55  -6.374  -7.815  -2.618
  416    HG   LEU  55           HG       LEU  55  -4.075  -6.035  -3.126
  417   1HD1  LEU  55          1HD1      LEU  55  -5.617  -4.515  -2.011
  418   2HD1  LEU  55          2HD1      LEU  55  -5.880  -5.736  -0.718
  419   3HD1  LEU  55          3HD1      LEU  55  -4.264  -4.975  -0.918
  420   1HD2  LEU  55          1HD2      LEU  55  -4.724  -8.000  -0.937
  421   2HD2  LEU  55          2HD2      LEU  55  -3.690  -8.306  -2.375
  422   3HD2  LEU  55          3HD2      LEU  55  -3.172  -7.113  -1.133
  423    H    LYS  56           H        LYS  56  -7.947  -8.373  -5.354
  424    HA   LYS  56           HA       LYS  56  -7.503 -11.195  -5.041
  425   1HB   LYS  56          1HB       LYS  56  -9.690 -10.144  -4.776
  426   2HB   LYS  56          2HB       LYS  56  -9.678  -9.682  -6.466
  427   1HG   LYS  56          1HG       LYS  56 -10.346 -11.720  -7.121
  428   2HG   LYS  56          2HG       LYS  56  -9.141 -12.510  -6.124
  429   1HD   LYS  56          1HD       LYS  56 -10.719 -11.994  -4.165
  430   2HD   LYS  56          2HD       LYS  56 -11.929 -11.707  -5.399
  431   1HE   LYS  56          1HE       LYS  56 -10.316 -14.199  -5.602
  432   2HE   LYS  56          2HE       LYS  56 -11.550 -14.131  -4.361
  433   1HZ   LYS  56          1HZ       LYS  56 -13.147 -13.582  -6.046
  434   2HZ   LYS  56          2HZ       LYS  56 -11.981 -13.646  -7.220
  435   3HZ   LYS  56          3HZ       LYS  56 -12.406 -15.020  -6.400
  436    H    ASN  57           H        ASN  57  -6.483  -9.049  -7.440
  437    HA   ASN  57           HA       ASN  57  -6.228 -11.131  -9.500
  438   1HB   ASN  57          1HB       ASN  57  -6.245  -8.231  -9.393
  439   2HB   ASN  57          2HB       ASN  57  -4.887  -8.842 -10.317
  440   1HD2  ASN  57          2HD2      ASN  57  -7.442  -7.408 -11.023
  441   2HD2  ASN  57          1HD2      ASN  57  -8.165  -8.399 -12.271
  442    H    LEU  58           H        LEU  58  -4.312  -9.485  -7.049
  443    HA   LEU  58           HA       LEU  58  -1.759 -10.235  -8.116
  444   1HB   LEU  58          1HB       LEU  58  -2.815  -9.029  -5.633
  445   2HB   LEU  58          2HB       LEU  58  -1.237  -9.783  -5.535
  446    HG   LEU  58           HG       LEU  58  -1.801  -7.872  -7.762
  447   1HD1  LEU  58          1HD1      LEU  58  -2.560  -6.707  -5.720
  448   2HD1  LEU  58          2HD1      LEU  58  -0.993  -7.102  -4.932
  449   3HD1  LEU  58          3HD1      LEU  58  -1.033  -5.994  -6.346
  450   1HD2  LEU  58          1HD2      LEU  58   0.678  -8.550  -6.127
  451   2HD2  LEU  58          2HD2      LEU  58   0.295  -9.190  -7.762
  452   3HD2  LEU  58          3HD2      LEU  58   0.628  -7.437  -7.538
  453    H    ASP  59           H        ASP  59  -0.294 -11.474  -6.342
  454    HA   ASP  59           HA       ASP  59  -1.399 -14.188  -6.264
  455   1HB   ASP  59          1HB       ASP  59   1.202 -12.893  -6.232
  456   2HB   ASP  59          2HB       ASP  59   1.087 -14.185  -5.054
  457    H    GLU  60           H        GLU  60  -1.248 -15.538  -4.340
  458    HA   GLU  60           HA       GLU  60  -2.310 -14.196  -2.005
  459   1HB   GLU  60          1HB       GLU  60  -2.653 -16.648  -2.956
  460   2HB   GLU  60          2HB       GLU  60  -1.327 -16.991  -1.862
  461   1HG   GLU  60          1HG       GLU  60  -2.558 -16.431   0.020
  462   2HG   GLU  60          2HG       GLU  60  -3.636 -15.377  -0.873
  463    H    LYS  61           H        LYS  61   0.773 -15.691  -2.878
  464    HA   LYS  61           HA       LYS  61   1.974 -15.075  -0.324
  465   1HB   LYS  61          1HB       LYS  61   4.001 -15.857  -1.286
  466   2HB   LYS  61          2HB       LYS  61   2.708 -16.923  -1.798
  467   1HG   LYS  61          1HG       LYS  61   2.770 -15.047  -3.810
  468   2HG   LYS  61          2HG       LYS  61   4.464 -15.220  -3.396
  469   1HD   LYS  61          1HD       LYS  61   3.270 -17.818  -3.535
  470   2HD   LYS  61          2HD       LYS  61   2.893 -16.937  -5.001
  471   1HE   LYS  61          1HE       LYS  61   4.933 -17.604  -5.693
  472   2HE   LYS  61          2HE       LYS  61   5.536 -16.333  -4.648
  473   1HZ   LYS  61          1HZ       LYS  61   5.723 -17.935  -2.886
  474   2HZ   LYS  61          2HZ       LYS  61   5.154 -19.137  -3.873
  475   3HZ   LYS  61          3HZ       LYS  61   6.609 -18.417  -4.200
  476    H    CYS  62           H        CYS  62   1.309 -13.184  -3.147
  477    HA   CYS  62           HA       CYS  62   3.226 -11.113  -2.338
  478   1HB   CYS  62          1HB       CYS  62   1.290 -11.418  -4.596
  479   2HB   CYS  62          2HB       CYS  62   2.232  -9.965  -4.327
  480    H    MET  63           H        MET  63   0.158 -12.085  -1.368
  481    HA   MET  63           HA       MET  63  -0.887  -9.379  -0.970
  482   1HB   MET  63          1HB       MET  63  -1.826 -12.165  -0.736
  483   2HB   MET  63          2HB       MET  63  -2.626 -10.957   0.249
  484   1HG   MET  63          1HG       MET  63  -3.570  -9.939  -1.511
  485   2HG   MET  63          2HG       MET  63  -2.228 -10.300  -2.579
  486   1HE   MET  63          1HE       MET  63  -3.688 -13.159  -0.477
  487   2HE   MET  63          2HE       MET  63  -5.120 -12.074  -0.546
  488   3HE   MET  63          3HE       MET  63  -5.149 -13.655  -1.401
  489    H    CYS  64           H        CYS  64   1.175  -8.938   0.375
  490    HA   CYS  64           HA       CYS  64   0.770  -8.602   3.031
  491   1HB   CYS  64          1HB       CYS  64   0.586 -10.670   3.912
  492   2HB   CYS  64          2HB       CYS  64   1.463 -11.426   2.596
  493    HA   PRO  65           HA       PRO  65   5.389  -8.534   2.292
  494   1HB   PRO  65          1HB       PRO  65   6.428  -9.774   0.046
  495   2HB   PRO  65          2HB       PRO  65   6.378 -10.495   1.642
  496   1HG   PRO  65          1HG       PRO  65   4.756 -11.110  -0.708
  497   2HG   PRO  65          2HG       PRO  65   5.002 -12.059   0.745
  498   1HD   PRO  65          1HD       PRO  65   2.733 -10.511   0.073
  499   2HD   PRO  65          2HD       PRO  65   3.033 -11.360   1.576
  500    H    ALA  66           H        ALA  66   3.481  -8.622  -0.703
  501    HA   ALA  66           HA       ALA  66   4.947  -6.579  -2.040
  502   1HB   ALA  66          1HB       ALA  66   3.528  -8.177  -3.215
  503   2HB   ALA  66          2HB       ALA  66   2.091  -7.519  -2.358
  504   3HB   ALA  66          3HB       ALA  66   2.991  -6.488  -3.524
  505    H    ILE  67           H        ILE  67   1.911  -6.516  -0.092
  506    HA   ILE  67           HA       ILE  67   1.158  -3.900  -0.245
  507    HB   ILE  67           HB       ILE  67   1.408  -5.610   2.203
  508   1HG1  ILE  67          1HG1      ILE  67  -0.149  -5.906  -0.071
  509   2HG1  ILE  67          2HG1      ILE  67  -0.349  -6.744   1.454
  510   1HG2  ILE  67          1HG2      ILE  67   1.274  -3.277   2.900
  511   2HG2  ILE  67          2HG2      ILE  67  -0.161  -3.035   1.842
  512   3HG2  ILE  67          3HG2      ILE  67  -0.270  -4.123   3.269
  513   1HD1  ILE  67          1HD1      ILE  67  -1.892  -5.007   2.234
  514   2HD1  ILE  67          2HD1      ILE  67  -1.688  -4.147   0.669
  515   3HD1  ILE  67          3HD1      ILE  67  -2.462  -5.769   0.708
  516    H    MET  68           H        MET  68   3.886  -5.088   1.729
  517    HA   MET  68           HA       MET  68   4.815  -2.706   2.773
  518   1HB   MET  68          1HB       MET  68   5.776  -5.285   2.455
  519   2HB   MET  68          2HB       MET  68   6.991  -4.246   1.740
  520   1HG   MET  68          1HG       MET  68   6.882  -2.839   3.804
  521   2HG   MET  68          2HG       MET  68   5.847  -4.062   4.512
  522   1HE   MET  68          1HE       MET  68   6.523  -6.348   5.344
  523   2HE   MET  68          2HE       MET  68   6.812  -6.779   3.622
  524   3HE   MET  68          3HE       MET  68   8.043  -7.181   4.868
  525    H    MET  69           H        MET  69   6.281  -4.048  -0.180
  526    HA   MET  69           HA       MET  69   7.564  -1.802  -1.083
  527   1HB   MET  69          1HB       MET  69   6.381  -4.130  -2.513
  528   2HB   MET  69          2HB       MET  69   7.271  -2.882  -3.360
  529   1HG   MET  69          1HG       MET  69   8.327  -4.548  -1.097
  530   2HG   MET  69          2HG       MET  69   8.693  -4.784  -2.793
  531   1HE   MET  69          1HE       MET  69  10.188  -3.812   0.270
  532   2HE   MET  69          2HE       MET  69  11.084  -4.706  -1.007
  533   3HE   MET  69          3HE       MET  69  11.693  -3.117  -0.427
  534    H    MET  70           H        MET  70   4.179  -2.526  -1.341
  535    HA   MET  70           HA       MET  70   3.486  -0.695  -3.371
  536   1HB   MET  70          1HB       MET  70   1.627  -1.821  -2.939
  537   2HB   MET  70          2HB       MET  70   2.199  -2.282  -1.348
  538   1HG   MET  70          1HG       MET  70   1.460   0.287  -0.932
  539   2HG   MET  70          2HG       MET  70   0.298  -0.220  -2.142
  540   1HE   MET  70          1HE       MET  70  -0.350   0.829   0.828
  541   2HE   MET  70          2HE       MET  70  -1.602   0.416  -0.395
  542   3HE   MET  70          3HE       MET  70  -1.688  -0.292   1.256
  543    H    LEU  71           H        LEU  71   3.910  -0.302   0.117
  544    HA   LEU  71           HA       LEU  71   3.370   2.589  -0.153
  545   1HB   LEU  71          1HB       LEU  71   3.609   0.927   2.331
  546   2HB   LEU  71          2HB       LEU  71   3.168   2.621   2.253
  547    HG   LEU  71           HG       LEU  71   1.575   0.366   1.117
  548   1HD1  LEU  71          1HD1      LEU  71   1.535   0.267   3.555
  549   2HD1  LEU  71          2HD1      LEU  71   1.073   2.003   3.613
  550   3HD1  LEU  71          3HD1      LEU  71  -0.055   0.796   2.902
  551   1HD2  LEU  71          1HD2      LEU  71   0.928   3.321   1.376
  552   2HD2  LEU  71          2HD2      LEU  71   1.261   2.432  -0.151
  553   3HD2  LEU  71          3HD2      LEU  71  -0.211   2.051   0.808
  554    H    ASN  72           H        ASN  72   5.791   1.097  -1.055
  555    HA   ASN  72           HA       ASN  72   7.775   2.664   0.488
  556   1HB   ASN  72          1HB       ASN  72   7.973   0.119  -1.078
  557   2HB   ASN  72          2HB       ASN  72   9.384   1.039  -0.593
  558   1HD2  ASN  72          2HD2      ASN  72   8.794   1.847   1.921
  559   2HD2  ASN  72          1HD2      ASN  72   8.690   0.441   2.956
  560    H    GLU  73           H        GLU  73   6.025   2.596  -2.338
  561    HA   GLU  73           HA       GLU  73   7.934   3.268  -4.292
  562   1HB   GLU  73          1HB       GLU  73   5.110   3.017  -4.087
  563   2HB   GLU  73          2HB       GLU  73   5.460   4.549  -4.862
  564   1HG   GLU  73          1HG       GLU  73   7.236   2.928  -6.139
  565   2HG   GLU  73          2HG       GLU  73   5.937   1.794  -5.831
  566    HA   PRO  74           HA       PRO  74   8.729   7.573  -3.643
  567   1HB   PRO  74          1HB       PRO  74   8.187   8.807  -6.036
  568   2HB   PRO  74          2HB       PRO  74   9.642   7.897  -5.685
  569   1HG   PRO  74          1HG       PRO  74   7.366   7.157  -7.393
  570   2HG   PRO  74          2HG       PRO  74   8.990   6.500  -7.375
  571   1HD   PRO  74          1HD       PRO  74   6.669   5.385  -6.214
  572   2HD   PRO  74          2HD       PRO  74   8.310   4.780  -6.112
  573    H    MET  75           H        MET  75   6.068   6.713  -2.901
  574    HA   MET  75           HA       MET  75   4.834   9.335  -2.651
  575   1HB   MET  75          1HB       MET  75   4.010   7.687  -4.708
  576   2HB   MET  75          2HB       MET  75   2.875   7.311  -3.428
  577   1HG   MET  75          1HG       MET  75   2.567   9.800  -3.134
  578   2HG   MET  75          2HG       MET  75   3.474  10.004  -4.619
  579   1HE   MET  75          1HE       MET  75   2.320  10.571  -6.645
  580   2HE   MET  75          2HE       MET  75   2.787   8.856  -6.923
  581   3HE   MET  75          3HE       MET  75   1.157   9.434  -7.412
  582    H    TRP  76           H        TRP  76   6.062   6.905  -1.045
  583    HA   TRP  76           HA       TRP  76   4.143   7.104   1.126
  584   1HB   TRP  76          1HB       TRP  76   4.815   4.462  -0.088
  585   2HB   TRP  76          2HB       TRP  76   3.876   4.720   1.368
  586    HD1  TRP  76           HD       TRP  76   3.456   4.025  -2.192
  587    HE1  TRP  76           1HE      TRP  76   1.081   4.591  -2.975
  588    HE3  TRP  76           3HE      TRP  76   1.914   6.806   1.771
  589    HZ2  TRP  76           2HZ      TRP  76  -1.198   6.082  -2.029
  590    HZ3  TRP  76           3HZ      TRP  76  -0.332   7.821   1.832
  591    HH2  TRP  76           HH       TRP  76  -1.885   7.446  -0.060
  592    H    ILE  77           H        ILE  77   5.812   8.168   2.212
  593    HA   ILE  77           HA       ILE  77   8.073   6.446   3.002
  594    HB   ILE  77           HB       ILE  77   8.340   9.213   1.925
  595   1HG1  ILE  77          1HG1      ILE  77  10.165   8.076   0.576
  596   2HG1  ILE  77          2HG1      ILE  77   9.468   6.561   1.114
  597   1HG2  ILE  77          1HG2      ILE  77   9.616   9.123   4.014
  598   2HG2  ILE  77          2HG2      ILE  77  10.415   7.610   3.463
  599   3HG2  ILE  77          3HG2      ILE  77  10.725   9.156   2.600
  600   1HD1  ILE  77          1HD1      ILE  77   7.295   7.181   0.118
  601   2HD1  ILE  77          2HD1      ILE  77   8.010   8.736  -0.432
  602   3HD1  ILE  77          3HD1      ILE  77   8.607   7.182  -1.111
  603    H    ARG  78           H        ARG  78   7.465   9.857   3.671
  604    HA   ARG  78           HA       ARG  78   7.158   9.167   6.520
  605   1HB   ARG  78          1HB       ARG  78   8.196  11.463   5.029
  606   2HB   ARG  78          2HB       ARG  78   7.318  11.851   6.495
  607   1HG   ARG  78          1HG       ARG  78   9.049  11.194   7.761
  608   2HG   ARG  78          2HG       ARG  78   9.071   9.626   6.981
  609   1HD   ARG  78          1HD       ARG  78  10.829  10.172   5.694
  610   2HD   ARG  78          2HD       ARG  78  10.161  11.744   5.305
  611    HE   ARG  78           HE       ARG  78  11.056  11.792   7.981
  612   1HH1  ARG  78          1HH2      ARG  78  12.416  11.604   4.762
  613   2HH1  ARG  78          2HH2      ARG  78  13.907  12.380   5.245
  614   1HH2  ARG  78          1HH1      ARG  78  12.976  12.788   8.542
  615   2HH2  ARG  78          2HH1      ARG  78  14.215  13.033   7.332
  616    H    MET  79           H        MET  79   5.108   9.196   4.208
  617    HA   MET  79           HA       MET  79   3.052  10.891   5.505
  618   1HB   MET  79          1HB       MET  79   2.351  10.416   2.834
  619   2HB   MET  79          2HB       MET  79   2.764  11.948   3.577
  620   1HG   MET  79          1HG       MET  79   4.269  12.007   1.888
  621   2HG   MET  79          2HG       MET  79   5.231  11.082   3.023
  622   1HE   MET  79          1HE       MET  79   2.016   9.908   1.262
  623   2HE   MET  79          2HE       MET  79   2.754  11.020   0.056
  624   3HE   MET  79          3HE       MET  79   2.634   9.260  -0.298
  625    H    ARG  80           H        ARG  80   4.119   7.828   4.305
  626    HA   ARG  80           HA       ARG  80   1.487   6.664   4.398
  627   1HB   ARG  80          1HB       ARG  80   2.798   4.515   4.437
  628   2HB   ARG  80          2HB       ARG  80   3.007   5.523   3.019
  629   1HG   ARG  80          1HG       ARG  80   5.127   6.113   3.576
  630   2HG   ARG  80          2HG       ARG  80   4.822   5.988   5.297
  631   1HD   ARG  80          1HD       ARG  80   5.036   3.652   5.256
  632   2HD   ARG  80          2HD       ARG  80   5.006   3.612   3.504
  633    HE   ARG  80           HE       ARG  80   7.184   5.208   4.288
  634   1HH1  ARG  80          1HH2      ARG  80   6.211   1.868   4.553
  635   2HH1  ARG  80          2HH2      ARG  80   7.861   1.286   4.528
  636   1HH2  ARG  80          1HH1      ARG  80   9.280   4.408   4.226
  637   2HH2  ARG  80          2HH1      ARG  80   9.552   2.684   4.349
  638    H    ASP  81           H        ASP  81   3.828   7.464   6.837
  639    HA   ASP  81           HA       ASP  81   3.613   5.509   8.750
  640   1HB   ASP  81          1HB       ASP  81   4.390   8.128   8.658
  641   2HB   ASP  81          2HB       ASP  81   3.035   8.192   9.766
  642    H    GLN  82           H        GLN  82   1.108   7.843   7.867
  643    HA   GLN  82           HA       GLN  82  -0.798   6.751   9.774
  644   1HB   GLN  82          1HB       GLN  82  -0.496   9.128   8.510
  645   2HB   GLN  82          2HB       GLN  82  -1.809   8.390   7.616
  646   1HG   GLN  82          1HG       GLN  82  -2.898   9.492   9.360
  647   2HG   GLN  82          2HG       GLN  82  -2.791   7.838   9.930
  648   1HE2  GLN  82          2HE2      GLN  82  -1.395  11.083  10.210
  649   2HE2  GLN  82          1HE2      GLN  82  -0.620  10.809  11.754
  650    H    VAL  83           H        VAL  83  -0.511   6.765   6.217
  651    HA   VAL  83           HA       VAL  83  -2.699   5.037   5.771
  652    HB   VAL  83           HB       VAL  83  -2.144   5.045   3.593
  653   1HG1  VAL  83          1HG1      VAL  83  -2.475   7.316   4.326
  654   2HG1  VAL  83          2HG1      VAL  83  -0.724   7.469   4.701
  655   3HG1  VAL  83          3HG1      VAL  83  -1.266   7.269   2.997
  656   1HG2  VAL  83          1HG2      VAL  83   0.776   5.308   4.262
  657   2HG2  VAL  83          2HG2      VAL  83  -0.070   3.833   3.680
  658   3HG2  VAL  83          3HG2      VAL  83   0.073   5.269   2.607
  659    H    MET  84           H        MET  84   0.040   4.288   7.408
  660    HA   MET  84           HA       MET  84   0.564   1.622   6.350
  661   1HB   MET  84          1HB       MET  84   1.931   3.573   8.053
  662   2HB   MET  84          2HB       MET  84   1.966   1.957   8.729
  663   1HG   MET  84          1HG       MET  84   2.825   2.727   5.948
  664   2HG   MET  84          2HG       MET  84   3.894   2.320   7.276
  665   1HE   MET  84          1HE       MET  84   2.968   1.120   4.124
  666   2HE   MET  84          2HE       MET  84   4.585   0.825   4.852
  667   3HE   MET  84          3HE       MET  84   3.569  -0.562   4.328
  668    H    SER  85           H        SER  85  -0.479   3.232   9.385
  669    HA   SER  85           HA       SER  85  -1.364   0.758  10.570
  670   1HB   SER  85          1HB       SER  85  -0.909   3.326  11.472
  671   2HB   SER  85          2HB       SER  85  -2.649   3.150  11.579
  672    HG   SER  85           HG       SER  85  -1.576   2.408  13.468
  673    H    MET  86           H        MET  86  -2.567   2.159   7.911
  674    HA   MET  86           HA       MET  86  -5.381   1.495   8.593
  675   1HB   MET  86          1HB       MET  86  -4.284   3.434   6.602
  676   2HB   MET  86          2HB       MET  86  -5.981   3.073   6.849
  677   1HG   MET  86          1HG       MET  86  -4.195   4.246   8.952
  678   2HG   MET  86          2HG       MET  86  -5.221   5.192   7.894
  679   1HE   MET  86          1HE       MET  86  -4.842   3.270  11.087
  680   2HE   MET  86          2HE       MET  86  -5.135   5.042  11.156
  681   3HE   MET  86          3HE       MET  86  -6.321   3.905  11.885
  682    H    ALA  87           H        ALA  87  -2.854   1.495   6.096
  683    HA   ALA  87           HA       ALA  87  -4.275  -0.420   4.461
  684   1HB   ALA  87          1HB       ALA  87  -2.763   1.217   3.450
  685   2HB   ALA  87          2HB       ALA  87  -1.401   0.532   4.403
  686   3HB   ALA  87          3HB       ALA  87  -2.202  -0.463   3.137
  687    H    HIS  88           H        HIS  88  -3.092  -0.883   7.443
  688    HA   HIS  88           HA       HIS  88  -1.900  -3.508   6.823
  689   1HB   HIS  88          1HB       HIS  88  -1.044  -3.487   8.967
  690   2HB   HIS  88          2HB       HIS  88  -0.914  -1.820   8.442
  691    HD1  HIS  88           1HD      HIS  88  -1.050  -2.952  11.522
  692    HD2  HIS  88           2HD      HIS  88  -4.048  -1.038   9.252
  693    HE1  HIS  88           1HE      HIS  88  -2.723  -1.931  13.210
  694    HE2  HIS  88           2HE      HIS  88  -4.542  -0.788  11.795
  695    H    ASN  89           H        ASN  89  -4.825  -2.012   7.882
  696    HA   ASN  89           HA       ASN  89  -5.972  -4.620   8.668
  697   1HB   ASN  89          1HB       ASN  89  -6.549  -1.798   9.394
  698   2HB   ASN  89          2HB       ASN  89  -7.879  -2.937   9.356
  699   1HD2  ASN  89          2HD2      ASN  89  -4.513  -3.636  10.187
  700   2HD2  ASN  89          1HD2      ASN  89  -4.825  -4.048  11.859
  701    H    LEU  90           H        LEU  90  -6.169  -1.932   6.350
  702    HA   LEU  90           HA       LEU  90  -8.611  -2.599   5.146
  703   1HB   LEU  90          1HB       LEU  90  -6.079  -1.312   4.281
  704   2HB   LEU  90          2HB       LEU  90  -7.256  -1.732   3.053
  705    HG   LEU  90           HG       LEU  90  -8.073  -0.182   5.470
  706   1HD1  LEU  90          1HD1      LEU  90  -6.148   1.025   4.494
  707   2HD1  LEU  90          2HD1      LEU  90  -6.936   0.946   2.879
  708   3HD1  LEU  90          3HD1      LEU  90  -7.685   1.910   4.199
  709   1HD2  LEU  90          1HD2      LEU  90  -9.090  -0.336   2.609
  710   2HD2  LEU  90          2HD2      LEU  90  -9.822  -1.158   4.030
  711   3HD2  LEU  90          3HD2      LEU  90  -9.824   0.637   3.930
  712    HA   PRO  91           HA       PRO  91  -6.451  -5.786   2.389
  713   1HB   PRO  91          1HB       PRO  91  -3.912  -6.619   3.028
  714   2HB   PRO  91          2HB       PRO  91  -4.279  -5.398   1.826
  715   1HG   PRO  91          1HG       PRO  91  -3.142  -5.066   4.504
  716   2HG   PRO  91          2HG       PRO  91  -3.140  -3.944   3.159
  717   1HD   PRO  91          1HD       PRO  91  -4.797  -3.900   5.440
  718   2HD   PRO  91          2HD       PRO  91  -4.849  -2.829   4.055
  719    H    ILE  92           H        ILE  92  -5.435  -5.910   5.804
  720    HA   ILE  92           HA       ILE  92  -5.664  -8.745   6.067
  721    HB   ILE  92           HB       ILE  92  -5.657  -6.432   7.912
  722   1HG1  ILE  92          1HG1      ILE  92  -3.870  -8.604   7.104
  723   2HG1  ILE  92          2HG1      ILE  92  -3.526  -6.920   7.448
  724   1HG2  ILE  92          1HG2      ILE  92  -7.358  -7.872   8.904
  725   2HG2  ILE  92          2HG2      ILE  92  -6.239  -9.275   8.794
  726   3HG2  ILE  92          3HG2      ILE  92  -5.853  -7.900   9.886
  727   1HD1  ILE  92          1HD1      ILE  92  -3.634  -7.364   9.859
  728   2HD1  ILE  92          2HD1      ILE  92  -3.986  -9.092   9.507
  729   3HD1  ILE  92          3HD1      ILE  92  -2.399  -8.386   9.044
  730    H    GLU  93           H        GLU  93  -8.008  -6.113   6.578
  731    HA   GLU  93           HA       GLU  93 -10.150  -7.690   7.547
  732   1HB   GLU  93          1HB       GLU  93  -9.960  -5.037   6.178
  733   2HB   GLU  93          2HB       GLU  93 -11.531  -5.767   6.445
  734   1HG   GLU  93          1HG       GLU  93 -10.080  -5.974   8.878
  735   2HG   GLU  93          2HG       GLU  93  -9.908  -4.327   8.307
  736    H    CYS  94           H        CYS  94  -8.833  -7.305   4.349
  737    HA   CYS  94           HA       CYS  94 -11.111  -8.685   3.151
  738   1HB   CYS  94          1HB       CYS  94  -8.659  -7.352   2.251
  739   2HB   CYS  94          2HB       CYS  94  -9.279  -8.642   1.241
  740    H    ASN  95           H        ASN  95  -8.262  -9.602   4.751
  741    HA   ASN  95           HA       ASN  95  -7.463 -11.649   5.329
  742   1HB   ASN  95          1HB       ASN  95  -9.815 -12.436   4.508
  743   2HB   ASN  95          2HB       ASN  95  -8.918 -13.027   3.124
  744   1HD2  ASN  95          2HD2      ASN  95  -6.620 -14.033   4.133
  745   2HD2  ASN  95          1HD2      ASN  95  -6.951 -15.284   5.310
  746    H    LEU  96           H        LEU  96  -6.499  -9.705   3.244
  747    HA   LEU  96           HA       LEU  96  -5.297 -11.397   1.207
  748   1HB   LEU  96          1HB       LEU  96  -4.826  -8.507   1.832
  749   2HB   LEU  96          2HB       LEU  96  -4.403  -9.344   0.352
  750    HG   LEU  96           HG       LEU  96  -7.237  -9.165   1.307
  751   1HD1  LEU  96          1HD1      LEU  96  -6.410  -6.900   1.216
  752   2HD1  LEU  96          2HD1      LEU  96  -5.775  -7.190  -0.441
  753   3HD1  LEU  96          3HD1      LEU  96  -7.548  -7.207  -0.142
  754   1HD2  LEU  96          1HD2      LEU  96  -6.079  -9.581  -1.463
  755   2HD2  LEU  96          2HD2      LEU  96  -6.832 -10.841  -0.425
  756   3HD2  LEU  96          3HD2      LEU  96  -7.828  -9.484  -1.059
  757    H    MET  97           H        MET  97  -4.150  -9.251   3.797
  758    HA   MET  97           HA       MET  97  -1.751 -10.950   4.046
  759   1HB   MET  97          1HB       MET  97  -0.504  -9.048   4.650
  760   2HB   MET  97          2HB       MET  97  -1.394  -8.661   3.192
  761   1HG   MET  97          1HG       MET  97  -2.185  -6.874   4.202
  762   2HG   MET  97          2HG       MET  97  -3.048  -7.927   5.305
  763   1HE   MET  97          1HE       MET  97   0.810  -7.523   4.956
  764   2HE   MET  97          2HE       MET  97   0.178  -5.871   4.637
  765   3HE   MET  97          3HE       MET  97   1.145  -6.193   6.118
  766    H    SER  98           H        SER  98  -4.412 -11.155   5.428
  767    HA   SER  98           HA       SER  98  -4.645 -10.282   7.941
  768   1HB   SER  98          1HB       SER  98  -5.574 -12.496   8.605
  769   2HB   SER  98          2HB       SER  98  -6.261 -11.785   7.157
  770    HG   SER  98           HG       SER  98  -5.704 -14.000   6.868
  771    H    GLN  99           H        GLN  99  -3.157 -13.484   7.737
  772    HA   GLN  99           HA       GLN  99  -0.743 -12.469   9.026
  773   1HB   GLN  99          1HB       GLN  99  -2.885 -14.011  10.316
  774   2HB   GLN  99          2HB       GLN  99  -1.255 -14.553  10.657
  775   1HG   GLN  99          1HG       GLN  99  -1.250 -11.737  10.844
  776   2HG   GLN  99          2HG       GLN  99  -2.653 -12.307  11.726
  777   1HE2  GLN  99          2HE2      GLN  99  -0.379 -10.994  12.823
  778   2HE2  GLN  99          1HE2      GLN  99   0.342 -12.115  13.957
  779    HA   PRO 100           HA       PRO 100  -0.386 -16.116   6.127
  780   1HB   PRO 100          1HB       PRO 100   0.772 -14.862   3.959
  781   2HB   PRO 100          2HB       PRO 100  -0.935 -15.232   4.098
  782   1HG   PRO 100          1HG       PRO 100   0.405 -12.644   4.284
  783   2HG   PRO 100          2HG       PRO 100  -1.296 -12.989   4.048
  784   1HD   PRO 100          1HD       PRO 100  -0.002 -12.185   6.447
  785   2HD   PRO 100          2HD       PRO 100  -1.695 -12.578   6.223
  786    H    CYS 101           H        CYS 101   1.966 -13.432   5.665
  787    HA   CYS 101           HA       CYS 101   4.215 -15.202   5.977
  788   1HB   CYS 101          1HB       CYS 101   4.453 -12.264   6.238
  789   2HB   CYS 101          2HB       CYS 101   5.503 -13.401   5.418
  790    H    GLN 102           H        GLN 102   4.958 -15.973   7.830
  791    HA   GLN 102           HA       GLN 102   4.606 -14.353  10.290
  792   1HB   GLN 102          1HB       GLN 102   4.391 -17.333   9.997
  793   2HB   GLN 102          2HB       GLN 102   4.361 -16.469  11.521
  794   1HG   GLN 102          1HG       GLN 102   2.460 -15.393   9.599
  795   2HG   GLN 102          2HG       GLN 102   2.161 -17.082   9.957
  796   1HE2  GLN 102          2HE2      GLN 102   0.477 -17.112  11.308
  797   2HE2  GLN 102          1HE2      GLN 102   0.374 -16.198  12.796
  798    H    MET 103           H        MET 103   6.124 -15.391  12.073
  799    HA   MET 103           HA       MET 103   8.757 -14.881  11.523
  800   1HB   MET 103          1HB       MET 103   9.295 -16.080  13.536
  801   2HB   MET 103          2HB       MET 103   7.783 -15.221  13.748
  802   1HG   MET 103          1HG       MET 103   7.422 -17.914  12.693
  803   2HG   MET 103          2HG       MET 103   8.205 -17.900  14.260
  804   1HE   MET 103          1HE       MET 103   7.049 -18.020  16.351
  805   2HE   MET 103          2HE       MET 103   7.231 -16.235  16.232
  806   3HE   MET 103          3HE       MET 103   5.673 -16.945  16.779
  Start of MODEL   20
    1    HA   PRO   1           HA       PRO   1  11.547 -20.570   2.372
    2   1HB   PRO   1          1HB       PRO   1   9.001 -21.069   1.513
    3   2HB   PRO   1          2HB       PRO   1  10.451 -21.601   0.687
    4   1HG   PRO   1          1HG       PRO   1   8.543 -23.188   2.267
    5   2HG   PRO   1          2HG       PRO   1   9.741 -23.742   1.114
    6   1HD   PRO   1          1HD       PRO   1   9.916 -23.768   3.960
    7   2HD   PRO   1          2HD       PRO   1  11.125 -24.296   2.807
    8    H    TYR   2           H        TYR   2  11.598 -19.105   4.009
    9    HA   TYR   2           HA       TYR   2   9.149 -17.881   4.783
   10   1HB   TYR   2          1HB       TYR   2   8.679 -19.583   6.280
   11   2HB   TYR   2          2HB       TYR   2  10.372 -19.889   6.615
   12    HD1  TYR   2           1HD      TYR   2  11.174 -19.298   8.717
   13    HD2  TYR   2           2HD      TYR   2   7.965 -17.033   6.944
   14    HE1  TYR   2           1HE      TYR   2  10.876 -18.036  10.853
   15    HE2  TYR   2           2HE      TYR   2   7.787 -15.657   9.015
   16    HH   TYR   2           HH       TYR   2   8.453 -15.420  11.112
   17    H    GLY   3           H        GLY   3   9.460 -15.938   5.915
   18   1HA   GLY   3          1HA       GLY   3  10.708 -14.360   7.135
   19   2HA   GLY   3          2HA       GLY   3  12.175 -15.263   6.811
   20    H    ARG   4           H        ARG   4  12.561 -12.739   6.448
   21    HA   ARG   4           HA       ARG   4  11.816 -11.850   3.784
   22   1HB   ARG   4          1HB       ARG   4  12.328 -10.471   5.980
   23   2HB   ARG   4          2HB       ARG   4  13.962 -10.520   5.348
   24   1HG   ARG   4          1HG       ARG   4  13.460  -9.165   3.579
   25   2HG   ARG   4          2HG       ARG   4  11.849  -9.828   3.397
   26   1HD   ARG   4          1HD       ARG   4  11.259  -7.783   4.212
   27   2HD   ARG   4          2HD       ARG   4  11.524  -8.590   5.745
   28    HE   ARG   4           HE       ARG   4  13.942  -7.403   4.736
   29   1HH1  ARG   4          1HH2      ARG   4  10.983  -6.649   6.445
   30   2HH1  ARG   4          2HH2      ARG   4  11.676  -5.250   7.233
   31   1HH2  ARG   4          1HH1      ARG   4  14.795  -5.605   5.758
   32   2HH2  ARG   4          2HH1      ARG   4  13.801  -4.667   6.850
   33    H    GLY   5           H        GLY   5  12.843 -12.305   1.955
   34   1HA   GLY   5          1HA       GLY   5  15.733 -12.949   2.086
   35   2HA   GLY   5          2HA       GLY   5  14.629 -13.967   1.183
   36    H    ARG   6           H        ARG   6  16.783 -12.846  -0.067
   37    HA   ARG   6           HA       ARG   6  15.958 -10.397  -1.414
   38   1HB   ARG   6          1HB       ARG   6  18.342 -12.156  -1.441
   39   2HB   ARG   6          2HB       ARG   6  18.035 -11.186  -2.868
   40   1HG   ARG   6          1HG       ARG   6  18.626  -9.278  -1.823
   41   2HG   ARG   6          2HG       ARG   6  17.706  -9.685  -0.389
   42   1HD   ARG   6          1HD       ARG   6  19.823 -11.451  -0.290
   43   2HD   ARG   6          2HD       ARG   6  20.559  -9.987  -0.913
   44    HE   ARG   6           HE       ARG   6  20.241  -8.949   1.134
   45   1HH1  ARG   6          1HH2      ARG   6  18.372 -11.921   1.064
   46   2HH1  ARG   6          2HH2      ARG   6  17.946 -11.810   2.757
   47   1HH2  ARG   6          1HH1      ARG   6  19.650  -8.847   3.299
   48   2HH2  ARG   6          2HH1      ARG   6  18.654 -10.106   3.994
   49    H    THR   7           H        THR   7  14.649 -10.309  -3.088
   50    HA   THR   7           HA       THR   7  14.614 -12.531  -5.022
   51    HB   THR   7           HB       THR   7  12.108 -12.558  -4.930
   52    HG1  THR   7           1HG      THR   7  11.197 -11.628  -3.024
   53   1HG2  THR   7          1HG2      THR   7  13.416 -14.295  -3.685
   54   2HG2  THR   7          2HG2      THR   7  13.458 -13.190  -2.267
   55   3HG2  THR   7          3HG2      THR   7  11.891 -13.859  -2.838
   56    H    GLU   8           H        GLU   8  14.844 -11.698  -6.944
   57    HA   GLU   8           HA       GLU   8  14.873  -9.022  -7.604
   58   1HB   GLU   8          1HB       GLU   8  14.359  -9.844  -9.976
   59   2HB   GLU   8          2HB       GLU   8  15.802 -10.445  -9.184
   60   1HG   GLU   8          1HG       GLU   8  14.994 -12.567  -9.022
   61   2HG   GLU   8          2HG       GLU   8  13.343 -12.031  -8.780
   62    H    SER   9           H        SER   9  13.390  -8.134  -9.504
   63    HA   SER   9           HA       SER   9  11.025  -7.264  -8.368
   64   1HB   SER   9          1HB       SER   9  10.760  -7.485 -11.229
   65   2HB   SER   9          2HB       SER   9  10.837  -6.057 -10.218
   66    HG   SER   9           HG       SER   9  12.599  -6.180 -11.695
   67    H    GLY  10           H        GLY  10   8.902  -7.851  -8.310
   68   1HA   GLY  10          1HA       GLY  10   7.883 -10.059  -9.842
   69   2HA   GLY  10          2HA       GLY  10   8.258 -10.547  -8.201
   70    H    CYS  11           H        CYS  11   6.980  -9.701  -6.450
   71    HA   CYS  11           HA       CYS  11   4.305  -9.201  -6.981
   72   1HB   CYS  11          1HB       CYS  11   5.829  -8.141  -4.665
   73   2HB   CYS  11          2HB       CYS  11   4.123  -8.537  -4.736
   74    H    TYR  12           H        TYR  12   6.836  -6.828  -6.214
   75    HA   TYR  12           HA       TYR  12   5.477  -4.449  -6.489
   76   1HB   TYR  12          1HB       TYR  12   7.979  -5.156  -6.053
   77   2HB   TYR  12          2HB       TYR  12   8.140  -4.750  -7.750
   78    HD1  TYR  12           1HD      TYR  12   8.004  -2.473  -8.540
   79    HD2  TYR  12           2HD      TYR  12   7.437  -3.465  -4.377
   80    HE1  TYR  12           1HE      TYR  12   8.253  -0.066  -7.932
   81    HE2  TYR  12           2HE      TYR  12   7.662  -1.055  -3.770
   82    HH   TYR  12           HH       TYR  12   8.134   0.949  -4.520
   83    H    GLN  13           H        GLN  13   6.400  -6.658  -9.012
   84    HA   GLN  13           HA       GLN  13   5.981  -4.929 -11.228
   85   1HB   GLN  13          1HB       GLN  13   7.225  -7.196 -11.095
   86   2HB   GLN  13          2HB       GLN  13   5.638  -7.891 -11.356
   87   1HG   GLN  13          1HG       GLN  13   5.916  -7.540 -13.542
   88   2HG   GLN  13          2HG       GLN  13   5.867  -5.818 -13.221
   89   1HE2  GLN  13          2HE2      GLN  13   7.702  -4.607 -13.410
   90   2HE2  GLN  13          1HE2      GLN  13   9.274  -5.273 -13.792
   91    H    GLN  14           H        GLN  14   3.871  -7.318  -9.592
   92    HA   GLN  14           HA       GLN  14   1.654  -6.766 -11.323
   93   1HB   GLN  14          1HB       GLN  14   1.877  -8.164  -8.679
   94   2HB   GLN  14          2HB       GLN  14   0.359  -7.985  -9.537
   95   1HG   GLN  14          1HG       GLN  14   1.156 -10.095 -10.210
   96   2HG   GLN  14          2HG       GLN  14   1.575  -9.034 -11.539
   97   1HE2  GLN  14          2HE2      GLN  14   2.994  -9.791  -8.363
   98   2HE2  GLN  14          1HE2      GLN  14   4.598 -10.145  -8.962
   99    H    MET  15           H        MET  15   2.897  -5.317  -8.419
  100    HA   MET  15           HA       MET  15   0.592  -3.981  -7.514
  101   1HB   MET  15          1HB       MET  15   3.516  -3.650  -7.216
  102   2HB   MET  15          2HB       MET  15   2.515  -2.265  -6.828
  103   1HG   MET  15          1HG       MET  15   2.279  -3.204  -4.822
  104   2HG   MET  15          2HG       MET  15   1.178  -4.309  -5.619
  105   1HE   MET  15          1HE       MET  15   4.741  -3.674  -4.268
  106   2HE   MET  15          2HE       MET  15   3.538  -4.211  -3.045
  107   3HE   MET  15          3HE       MET  15   4.936  -5.265  -3.456
  108    H    GLU  16           H        GLU  16   3.259  -2.740  -9.575
  109    HA   GLU  16           HA       GLU  16   1.958  -0.291 -10.155
  110   1HB   GLU  16          1HB       GLU  16   3.731   0.139 -11.544
  111   2HB   GLU  16          2HB       GLU  16   4.423  -1.101 -10.518
  112   1HG   GLU  16          1HG       GLU  16   3.628  -2.763 -12.299
  113   2HG   GLU  16          2HG       GLU  16   3.409  -1.364 -13.330
  114    H    GLU  17           H        GLU  17   1.724  -3.478 -11.596
  115    HA   GLU  17           HA       GLU  17   0.320  -2.601 -13.950
  116   1HB   GLU  17          1HB       GLU  17   1.623  -4.887 -13.288
  117   2HB   GLU  17          2HB       GLU  17  -0.045  -5.381 -13.074
  118   1HG   GLU  17          1HG       GLU  17  -0.593  -4.747 -15.327
  119   2HG   GLU  17          2HG       GLU  17   0.977  -4.002 -15.553
  120    H    ALA  18           H        ALA  18  -0.529  -3.266 -10.683
  121    HA   ALA  18           HA       ALA  18  -3.352  -2.859 -11.370
  122   1HB   ALA  18          1HB       ALA  18  -3.048  -5.274 -11.046
  123   2HB   ALA  18          2HB       ALA  18  -2.269  -4.956  -9.457
  124   3HB   ALA  18          3HB       ALA  18  -4.007  -4.563  -9.701
  125    H    GLU  19           H        GLU  19  -2.059  -0.687 -10.758
  126    HA   GLU  19           HA       GLU  19  -1.249  -0.101  -8.187
  127   1HB   GLU  19          1HB       GLU  19  -0.930   1.488  -9.933
  128   2HB   GLU  19          2HB       GLU  19  -2.654   1.611 -10.217
  129   1HG   GLU  19          1HG       GLU  19  -2.845   2.452  -7.831
  130   2HG   GLU  19          2HG       GLU  19  -1.099   2.602  -7.849
  131    H    MET  20           H        MET  20  -2.383  -1.046  -6.552
  132    HA   MET  20           HA       MET  20  -5.220  -0.230  -6.276
  133   1HB   MET  20          1HB       MET  20  -5.746  -2.314  -5.310
  134   2HB   MET  20          2HB       MET  20  -4.853  -2.659  -6.778
  135   1HG   MET  20          1HG       MET  20  -3.185  -2.415  -4.431
  136   2HG   MET  20          2HG       MET  20  -4.371  -3.700  -4.315
  137   1HE   MET  20          1HE       MET  20  -4.666  -5.540  -6.113
  138   2HE   MET  20          2HE       MET  20  -4.561  -4.316  -7.426
  139   3HE   MET  20          3HE       MET  20  -3.527  -5.786  -7.481
  140    H    LEU  21           H        LEU  21  -2.073  -0.370  -5.025
  141    HA   LEU  21           HA       LEU  21  -2.845   0.113  -2.284
  142   1HB   LEU  21          1HB       LEU  21  -0.109   0.338  -3.438
  143   2HB   LEU  21          2HB       LEU  21  -0.568   0.037  -1.775
  144    HG   LEU  21           HG       LEU  21   0.214  -1.985  -2.497
  145   1HD1  LEU  21          1HD1      LEU  21  -1.907  -2.332  -1.397
  146   2HD1  LEU  21          2HD1      LEU  21  -2.759  -2.175  -2.972
  147   3HD1  LEU  21          3HD1      LEU  21  -1.652  -3.562  -2.683
  148   1HD2  LEU  21          1HD2      LEU  21  -1.224  -1.557  -5.105
  149   2HD2  LEU  21          2HD2      LEU  21   0.543  -1.427  -4.800
  150   3HD2  LEU  21          3HD2      LEU  21  -0.277  -3.022  -4.668
  151    H    ASN  22           H        ASN  22  -3.156   1.875  -4.889
  152    HA   ASN  22           HA       ASN  22  -2.252   4.405  -3.678
  153   1HB   ASN  22          1HB       ASN  22  -1.920   3.623  -6.203
  154   2HB   ASN  22          2HB       ASN  22  -3.543   4.267  -6.341
  155   1HD2  ASN  22          2HD2      ASN  22  -3.662   6.425  -4.848
  156   2HD2  ASN  22          1HD2      ASN  22  -2.428   7.599  -5.250
  157    H    HIS  23           H        HIS  23  -5.119   2.590  -4.831
  158    HA   HIS  23           HA       HIS  23  -6.922   4.781  -4.463
  159   1HB   HIS  23          1HB       HIS  23  -7.124   1.844  -4.865
  160   2HB   HIS  23          2HB       HIS  23  -8.550   2.741  -4.381
  161    HD1  HIS  23           1HD      HIS  23  -9.748   4.121  -6.199
  162    HD2  HIS  23           2HD      HIS  23  -6.070   2.476  -7.392
  163    HE1  HIS  23           1HE      HIS  23  -9.553   4.600  -8.720
  164    HE2  HIS  23           2HE      HIS  23  -7.323   3.528  -9.440
  165    H    CYS  24           H        CYS  24  -6.272   1.827  -2.526
  166    HA   CYS  24           HA       CYS  24  -7.765   2.814  -0.285
  167   1HB   CYS  24          1HB       CYS  24  -6.267   0.470  -0.956
  168   2HB   CYS  24          2HB       CYS  24  -5.866   1.015   0.660
  169    H    GLY  25           H        GLY  25  -4.546   3.396  -1.468
  170   1HA   GLY  25          1HA       GLY  25  -3.446   4.324   1.021
  171   2HA   GLY  25          2HA       GLY  25  -2.763   4.513  -0.581
  172    H    MET  26           H        MET  26  -4.498   5.954  -1.962
  173    HA   MET  26           HA       MET  26  -4.072   8.595  -1.242
  174   1HB   MET  26          1HB       MET  26  -4.780   7.696  -3.487
  175   2HB   MET  26          2HB       MET  26  -6.406   7.591  -2.845
  176   1HG   MET  26          1HG       MET  26  -6.016  10.099  -2.230
  177   2HG   MET  26          2HG       MET  26  -4.775  10.009  -3.463
  178   1HE   MET  26          1HE       MET  26  -5.266   8.999  -5.934
  179   2HE   MET  26          2HE       MET  26  -6.196   7.636  -5.221
  180   3HE   MET  26          3HE       MET  26  -6.926   8.638  -6.524
  181    H    TYR  27           H        TYR  27  -6.943   6.540  -0.727
  182    HA   TYR  27           HA       TYR  27  -8.694   8.341   0.423
  183   1HB   TYR  27          1HB       TYR  27  -9.072   5.960  -0.080
  184   2HB   TYR  27          2HB       TYR  27  -8.069   5.530   1.292
  185    HD1  TYR  27           1HD      TYR  27  -8.994   5.279   3.441
  186    HD2  TYR  27           2HD      TYR  27 -11.191   7.346   0.356
  187    HE1  TYR  27           1HE      TYR  27 -11.001   5.344   4.916
  188    HE2  TYR  27           2HE      TYR  27 -13.191   7.428   1.840
  189    HH   TYR  27           HH       TYR  27 -14.027   6.887   3.832
  190    H    LEU  28           H        LEU  28  -5.873   6.833   1.863
  191    HA   LEU  28           HA       LEU  28  -6.406   7.895   4.509
  192   1HB   LEU  28          1HB       LEU  28  -3.817   6.699   3.661
  193   2HB   LEU  28          2HB       LEU  28  -4.602   6.644   5.226
  194    HG   LEU  28           HG       LEU  28  -5.865   5.275   2.938
  195   1HD1  LEU  28          1HD1      LEU  28  -3.553   4.559   2.745
  196   2HD1  LEU  28          2HD1      LEU  28  -3.531   4.144   4.494
  197   3HD1  LEU  28          3HD1      LEU  28  -4.579   3.218   3.365
  198   1HD2  LEU  28          1HD2      LEU  28  -5.705   4.698   5.887
  199   2HD2  LEU  28          2HD2      LEU  28  -7.083   5.443   5.006
  200   3HD2  LEU  28          3HD2      LEU  28  -6.624   3.736   4.678
  201    H    MET  29           H        MET  29  -4.332   8.599   1.723
  202    HA   MET  29           HA       MET  29  -2.963  10.774   2.923
  203   1HB   MET  29          1HB       MET  29  -2.906   9.380   0.510
  204   2HB   MET  29          2HB       MET  29  -3.248  11.045   0.089
  205   1HG   MET  29          1HG       MET  29  -1.119  10.525   2.092
  206   2HG   MET  29          2HG       MET  29  -0.766  10.180   0.412
  207   1HE   MET  29          1HE       MET  29   1.188  11.917   0.270
  208   2HE   MET  29          2HE       MET  29   0.129  11.856  -1.182
  209   3HE   MET  29          3HE       MET  29   0.685  13.442  -0.540
  210    H    LYS  30           H        LYS  30  -6.226  10.590   2.448
  211    HA   LYS  30           HA       LYS  30  -6.614  13.264   1.398
  212   1HB   LYS  30          1HB       LYS  30  -8.147  11.295   1.067
  213   2HB   LYS  30          2HB       LYS  30  -8.604  11.461   2.750
  214   1HG   LYS  30          1HG       LYS  30  -8.727  14.021   1.438
  215   2HG   LYS  30          2HG       LYS  30  -9.682  12.848   0.555
  216   1HD   LYS  30          1HD       LYS  30 -10.861  12.251   2.627
  217   2HD   LYS  30          2HD       LYS  30  -9.911  13.432   3.505
  218   1HE   LYS  30          1HE       LYS  30 -11.329  15.060   2.913
  219   2HE   LYS  30          2HE       LYS  30 -11.079  14.693   1.217
  220   1HZ   LYS  30          1HZ       LYS  30 -12.750  12.997   1.389
  221   2HZ   LYS  30          2HZ       LYS  30 -12.986  13.344   2.990
  222   3HZ   LYS  30          3HZ       LYS  30 -13.372  14.466   1.835
  223    H    ASN  31           H        ASN  31  -6.042  11.818   4.478
  224    HA   ASN  31           HA       ASN  31  -6.460  14.470   5.746
  225   1HB   ASN  31          1HB       ASN  31  -6.939  11.782   7.005
  226   2HB   ASN  31          2HB       ASN  31  -7.161  13.341   7.774
  227   1HD2  ASN  31          2HD2      ASN  31  -8.742  10.837   6.397
  228   2HD2  ASN  31          1HD2      ASN  31 -10.192  11.654   5.857
  229    H    LEU  32           H        LEU  32  -4.225  12.369   4.705
  230    HA   LEU  32           HA       LEU  32  -2.422  12.821   7.005
  231   1HB   LEU  32          1HB       LEU  32  -2.305  10.727   4.860
  232   2HB   LEU  32          2HB       LEU  32  -1.141  10.920   6.155
  233    HG   LEU  32           HG       LEU  32  -4.022  10.527   6.803
  234   1HD1  LEU  32          1HD1      LEU  32  -3.526   8.751   5.215
  235   2HD1  LEU  32          2HD1      LEU  32  -2.063   8.315   6.164
  236   3HD1  LEU  32          3HD1      LEU  32  -3.698   8.096   6.879
  237   1HD2  LEU  32          1HD2      LEU  32  -1.461   9.719   8.205
  238   2HD2  LEU  32          2HD2      LEU  32  -2.503  11.124   8.624
  239   3HD2  LEU  32          3HD2      LEU  32  -3.128   9.450   8.823
  240    H    GLY  33           H        GLY  33  -3.172  13.843   3.887
  241   1HA   GLY  33          1HA       GLY  33  -0.944  15.616   3.780
  242   2HA   GLY  33          2HA       GLY  33  -0.759  14.307   2.631
  243    H    GLU  34           H        GLU  34  -2.100  17.361   3.183
  244    HA   GLU  34           HA       GLU  34  -3.506  17.175   0.598
  245   1HB   GLU  34          1HB       GLU  34  -5.057  16.900   2.709
  246   2HB   GLU  34          2HB       GLU  34  -4.887  18.641   2.786
  247   1HG   GLU  34          1HG       GLU  34  -6.685  18.546   1.371
  248   2HG   GLU  34          2HG       GLU  34  -5.411  18.404   0.177
  249    H    ARG  35           H        ARG  35  -2.826  18.742  -0.671
  250    HA   ARG  35           HA       ARG  35  -1.748  21.200   0.583
  251   1HB   ARG  35          1HB       ARG  35  -0.507  21.484  -1.534
  252   2HB   ARG  35          2HB       ARG  35  -0.091  20.013  -0.677
  253   1HG   ARG  35          1HG       ARG  35  -2.296  19.667  -2.574
  254   2HG   ARG  35          2HG       ARG  35  -0.794  20.152  -3.335
  255   1HD   ARG  35          1HD       ARG  35   0.124  18.247  -1.656
  256   2HD   ARG  35          2HD       ARG  35  -1.485  17.628  -1.971
  257    HE   ARG  35           HE       ARG  35  -0.429  18.318  -4.455
  258   1HH1  ARG  35          1HH2      ARG  35   0.388  16.070  -1.900
  259   2HH1  ARG  35          2HH2      ARG  35   1.140  14.937  -3.000
  260   1HH2  ARG  35          1HH1      ARG  35   0.541  16.844  -5.835
  261   2HH2  ARG  35          2HH1      ARG  35   1.226  15.368  -5.193
  262    H    SER  36           H        SER  36  -1.814  23.098  -1.100
  263    HA   SER  36           HA       SER  36  -4.612  23.313  -2.050
  264   1HB   SER  36          1HB       SER  36  -4.216  24.972  -0.445
  265   2HB   SER  36          2HB       SER  36  -2.622  25.324  -1.082
  266    HG   SER  36           HG       SER  36  -4.173  26.909  -1.675
  267    H    GLN  37           H        GLN  37  -5.050  24.329  -4.045
  268    HA   GLN  37           HA       GLN  37  -3.071  25.217  -5.840
  269   1HB   GLN  37          1HB       GLN  37  -3.032  22.467  -5.647
  270   2HB   GLN  37          2HB       GLN  37  -4.026  22.752  -7.061
  271   1HG   GLN  37          1HG       GLN  37  -2.290  24.161  -8.035
  272   2HG   GLN  37          2HG       GLN  37  -1.306  23.980  -6.596
  273   1HE2  GLN  37          2HE2      GLN  37  -0.313  21.953  -6.138
  274   2HE2  GLN  37          1HE2      GLN  37  -0.145  20.729  -7.377
  275    H    VAL  38           H        VAL  38  -4.262  24.475  -8.274
  276    HA   VAL  38           HA       VAL  38  -6.440  26.208  -8.475
  277    HB   VAL  38           HB       VAL  38  -4.888  25.236 -10.244
  278   1HG1  VAL  38          1HG1      VAL  38  -5.362  22.860  -9.918
  279   2HG1  VAL  38          2HG1      VAL  38  -7.084  23.145 -10.350
  280   3HG1  VAL  38          3HG1      VAL  38  -5.796  23.374 -11.584
  281   1HG2  VAL  38          1HG2      VAL  38  -7.839  25.632 -10.806
  282   2HG2  VAL  38          2HG2      VAL  38  -6.586  26.917 -10.704
  283   3HG2  VAL  38          3HG2      VAL  38  -6.526  25.706 -12.032
  284    H    SER  39           H        SER  39  -8.596  25.298  -9.604
  285    HA   SER  39           HA       SER  39  -9.721  23.352  -7.676
  286   1HB   SER  39          1HB       SER  39 -10.654  25.562  -7.416
  287   2HB   SER  39          2HB       SER  39 -11.082  25.598  -9.114
  288    HG   SER  39           HG       SER  39 -12.849  24.983  -7.778
  289    HA   PRO  40           HA       PRO  40  -9.950  21.186 -11.626
  290   1HB   PRO  40          1HB       PRO  40  -9.650  18.664 -10.558
  291   2HB   PRO  40          2HB       PRO  40  -8.332  19.667 -11.131
  292   1HG   PRO  40          1HG       PRO  40  -9.091  19.018  -8.368
  293   2HG   PRO  40          2HG       PRO  40  -7.571  19.646  -8.974
  294   1HD   PRO  40          1HD       PRO  40  -9.643  21.099  -7.670
  295   2HD   PRO  40          2HD       PRO  40  -8.163  21.740  -8.355
  296    H    ARG  41           H        ARG  41 -11.215  18.775 -11.798
  297    HA   ARG  41           HA       ARG  41 -13.644  18.735 -10.227
  298   1HB   ARG  41          1HB       ARG  41 -13.837  20.534 -12.139
  299   2HB   ARG  41          2HB       ARG  41 -14.086  19.126 -13.152
  300   1HG   ARG  41          1HG       ARG  41 -15.968  18.423 -11.808
  301   2HG   ARG  41          2HG       ARG  41 -15.661  19.693 -10.642
  302   1HD   ARG  41          1HD       ARG  41 -16.170  20.340 -13.523
  303   2HD   ARG  41          2HD       ARG  41 -17.500  20.084 -12.412
  304    HE   ARG  41           HE       ARG  41 -15.569  21.971 -11.389
  305   1HH1  ARG  41          1HH2      ARG  41 -18.324  21.680 -13.524
  306   2HH1  ARG  41          2HH2      ARG  41 -18.754  23.368 -13.370
  307   1HH2  ARG  41          1HH1      ARG  41 -16.154  24.135 -11.210
  308   2HH2  ARG  41          2HH1      ARG  41 -17.546  24.734 -12.083
  309    H    MET  42           H        MET  42 -12.813  16.651  -9.768
  310    HA   MET  42           HA       MET  42 -12.029  14.656 -11.438
  311   1HB   MET  42          1HB       MET  42 -13.179  13.080  -9.902
  312   2HB   MET  42          2HB       MET  42 -12.243  14.307  -9.073
  313   1HG   MET  42          1HG       MET  42 -14.080  15.257  -8.143
  314   2HG   MET  42          2HG       MET  42 -15.043  15.042  -9.591
  315   1HE   MET  42          1HE       MET  42 -16.493  14.748  -6.944
  316   2HE   MET  42          2HE       MET  42 -17.233  14.332  -8.528
  317   3HE   MET  42          3HE       MET  42 -17.357  13.184  -7.149
  318    H    ARG  43           H        ARG  43 -13.002  12.877 -12.526
  319    HA   ARG  43           HA       ARG  43 -15.455  13.693 -13.923
  320   1HB   ARG  43          1HB       ARG  43 -13.187  11.905 -14.484
  321   2HB   ARG  43          2HB       ARG  43 -14.738  11.408 -15.128
  322   1HG   ARG  43          1HG       ARG  43 -14.630  14.110 -15.718
  323   2HG   ARG  43          2HG       ARG  43 -12.986  13.565 -15.987
  324   1HD   ARG  43          1HD       ARG  43 -15.016  11.756 -17.068
  325   2HD   ARG  43          2HD       ARG  43 -15.034  13.349 -17.799
  326    HE   ARG  43           HE       ARG  43 -12.379  12.192 -17.598
  327   1HH1  ARG  43          1HH2      ARG  43 -15.246  12.402 -19.596
  328   2HH1  ARG  43          2HH2      ARG  43 -14.376  11.999 -21.060
  329   1HH2  ARG  43          1HH1      ARG  43 -11.301  11.679 -19.496
  330   2HH2  ARG  43          2HH1      ARG  43 -12.184  11.597 -21.004
  331    H    GLU  44           H        GLU  44 -14.168  10.737 -12.434
  332    HA   GLU  44           HA       GLU  44 -16.606  10.162 -11.056
  333   1HB   GLU  44          1HB       GLU  44 -16.975   7.963 -12.360
  334   2HB   GLU  44          2HB       GLU  44 -17.644   9.452 -12.997
  335   1HG   GLU  44          1HG       GLU  44 -15.934   9.635 -14.632
  336   2HG   GLU  44          2HG       GLU  44 -14.959   8.405 -13.855
  337    H    GLU  45           H        GLU  45 -14.756  10.244  -9.558
  338    HA   GLU  45           HA       GLU  45 -13.481   7.564  -9.434
  339   1HB   GLU  45          1HB       GLU  45 -12.368  10.264  -8.764
  340   2HB   GLU  45          2HB       GLU  45 -11.672   8.793  -8.116
  341   1HG   GLU  45          1HG       GLU  45 -12.121   8.632 -10.992
  342   2HG   GLU  45          2HG       GLU  45 -11.044   9.944 -10.560
  343    H    ASP  46           H        ASP  46 -13.404   6.506  -7.476
  344    HA   ASP  46           HA       ASP  46 -14.146   7.627  -4.982
  345   1HB   ASP  46          1HB       ASP  46 -16.376   7.628  -6.385
  346   2HB   ASP  46          2HB       ASP  46 -16.383   5.925  -5.974
  347    H    HIS  47           H        HIS  47 -12.418   6.354  -4.303
  348    HA   HIS  47           HA       HIS  47 -12.265   3.552  -4.903
  349   1HB   HIS  47          1HB       HIS  47 -10.920   4.738  -2.532
  350   2HB   HIS  47          2HB       HIS  47 -10.325   3.542  -3.665
  351    HD1  HIS  47           1HD      HIS  47 -11.124   5.538  -6.232
  352    HD2  HIS  47           2HD      HIS  47  -8.716   6.347  -2.861
  353    HE1  HIS  47           1HE      HIS  47  -9.555   7.454  -6.919
  354    HE2  HIS  47           2HE      HIS  47  -8.098   7.921  -4.854
  355    H    LYS  48           H        LYS  48 -12.424   1.806  -3.359
  356    HA   LYS  48           HA       LYS  48 -13.652   2.068  -0.830
  357   1HB   LYS  48          1HB       LYS  48 -15.525   2.676  -2.623
  358   2HB   LYS  48          2HB       LYS  48 -15.687   0.932  -2.662
  359   1HG   LYS  48          1HG       LYS  48 -16.528   0.830  -0.551
  360   2HG   LYS  48          2HG       LYS  48 -15.502   2.128   0.027
  361   1HD   LYS  48          1HD       LYS  48 -17.620   3.096   0.111
  362   2HD   LYS  48          2HD       LYS  48 -17.018   3.649  -1.438
  363   1HE   LYS  48          1HE       LYS  48 -18.159   1.355  -2.228
  364   2HE   LYS  48          2HE       LYS  48 -19.167   1.697  -0.837
  365   1HZ   LYS  48          1HZ       LYS  48 -19.616   3.854  -1.754
  366   2HZ   LYS  48          2HZ       LYS  48 -18.664   3.529  -3.069
  367   3HZ   LYS  48          3HZ       LYS  48 -20.057   2.668  -2.823
  368    H    GLN  49           H        GLN  49 -13.878  -0.023  -3.680
  369    HA   GLN  49           HA       GLN  49 -12.625  -2.164  -2.080
  370   1HB   GLN  49          1HB       GLN  49 -15.260  -2.225  -2.943
  371   2HB   GLN  49          2HB       GLN  49 -14.396  -3.165  -4.141
  372   1HG   GLN  49          1HG       GLN  49 -13.977  -4.848  -2.690
  373   2HG   GLN  49          2HG       GLN  49 -13.593  -3.745  -1.384
  374   1HE2  GLN  49          2HE2      GLN  49 -15.356  -6.247  -1.713
  375   2HE2  GLN  49          1HE2      GLN  49 -16.880  -5.774  -0.997
  376    H    LEU  50           H        LEU  50 -12.165  -0.057  -4.552
  377    HA   LEU  50           HA       LEU  50 -11.158  -1.792  -6.581
  378   1HB   LEU  50          1HB       LEU  50 -11.056   1.093  -5.909
  379   2HB   LEU  50          2HB       LEU  50  -9.866   0.481  -7.040
  380    HG   LEU  50           HG       LEU  50 -12.772  -0.096  -7.429
  381   1HD1  LEU  50          1HD1      LEU  50 -12.632   2.333  -7.154
  382   2HD1  LEU  50          2HD1      LEU  50 -11.304   2.390  -8.366
  383   3HD1  LEU  50          3HD1      LEU  50 -12.961   1.905  -8.869
  384   1HD2  LEU  50          1HD2      LEU  50 -10.437   0.156  -9.353
  385   2HD2  LEU  50          2HD2      LEU  50 -11.175  -1.379  -8.778
  386   3HD2  LEU  50          3HD2      LEU  50 -12.128  -0.255  -9.807
  387    H    CYS  51           H        CYS  51 -10.044  -1.146  -3.444
  388    HA   CYS  51           HA       CYS  51  -7.271  -1.797  -4.154
  389   1HB   CYS  51          1HB       CYS  51  -6.900  -1.390  -1.731
  390   2HB   CYS  51          2HB       CYS  51  -7.391  -0.003  -2.682
  391    H    CYS  52           H        CYS  52 -10.069  -3.017  -2.307
  392    HA   CYS  52           HA       CYS  52  -8.665  -5.415  -1.511
  393   1HB   CYS  52          1HB       CYS  52 -10.457  -4.439  -0.171
  394   2HB   CYS  52          2HB       CYS  52 -11.590  -4.747  -1.472
  395    H    MET  53           H        MET  53 -10.755  -4.436  -4.132
  396    HA   MET  53           HA       MET  53 -11.332  -7.009  -5.198
  397   1HB   MET  53          1HB       MET  53 -12.754  -5.146  -5.790
  398   2HB   MET  53          2HB       MET  53 -11.387  -4.259  -6.432
  399   1HG   MET  53          1HG       MET  53 -12.733  -5.278  -8.216
  400   2HG   MET  53          2HG       MET  53 -11.102  -5.917  -8.184
  401   1HE   MET  53          1HE       MET  53 -11.691  -7.973  -9.628
  402   2HE   MET  53          2HE       MET  53 -10.546  -8.283  -8.277
  403   3HE   MET  53          3HE       MET  53 -11.841  -9.473  -8.648
  404    H    GLN  54           H        GLN  54  -9.157  -4.382  -6.367
  405    HA   GLN  54           HA       GLN  54  -7.989  -5.860  -8.424
  406   1HB   GLN  54          1HB       GLN  54  -6.813  -3.738  -6.663
  407   2HB   GLN  54          2HB       GLN  54  -6.074  -4.314  -8.144
  408   1HG   GLN  54          1HG       GLN  54  -8.867  -3.315  -8.202
  409   2HG   GLN  54          2HG       GLN  54  -7.540  -2.171  -8.161
  410   1HE2  GLN  54          2HE2      GLN  54  -9.196  -4.613  -9.982
  411   2HE2  GLN  54          1HE2      GLN  54  -8.385  -4.327 -11.505
  412    H    LEU  55           H        LEU  55  -6.877  -5.523  -5.009
  413    HA   LEU  55           HA       LEU  55  -4.625  -7.211  -5.265
  414   1HB   LEU  55          1HB       LEU  55  -6.246  -6.064  -3.159
  415   2HB   LEU  55          2HB       LEU  55  -5.517  -7.598  -2.728
  416    HG   LEU  55           HG       LEU  55  -3.763  -5.564  -3.896
  417   1HD1  LEU  55          1HD1      LEU  55  -5.033  -4.169  -2.348
  418   2HD1  LEU  55          2HD1      LEU  55  -4.738  -5.364  -1.037
  419   3HD1  LEU  55          3HD1      LEU  55  -3.362  -4.449  -1.748
  420   1HD2  LEU  55          1HD2      LEU  55  -3.471  -7.523  -1.616
  421   2HD2  LEU  55          2HD2      LEU  55  -2.883  -7.743  -3.301
  422   3HD2  LEU  55          3HD2      LEU  55  -2.170  -6.463  -2.260
  423    H    LYS  56           H        LYS  56  -8.044  -7.949  -4.976
  424    HA   LYS  56           HA       LYS  56  -7.865 -10.675  -4.382
  425   1HB   LYS  56          1HB       LYS  56  -9.894  -9.051  -4.710
  426   2HB   LYS  56          2HB       LYS  56  -9.892  -9.738  -6.322
  427   1HG   LYS  56          1HG       LYS  56 -10.570 -11.770  -5.603
  428   2HG   LYS  56          2HG       LYS  56  -9.669 -11.656  -4.105
  429   1HD   LYS  56          1HD       LYS  56 -11.737 -11.403  -3.194
  430   2HD   LYS  56          2HD       LYS  56 -11.521  -9.735  -3.685
  431   1HE   LYS  56          1HE       LYS  56 -12.908  -9.965  -5.542
  432   2HE   LYS  56          2HE       LYS  56 -12.687 -11.701  -5.615
  433   1HZ   LYS  56          1HZ       LYS  56 -13.969 -11.900  -3.614
  434   2HZ   LYS  56          2HZ       LYS  56 -14.177 -10.258  -3.544
  435   3HZ   LYS  56          3HZ       LYS  56 -14.847 -11.126  -4.786
  436    H    ASN  57           H        ASN  57  -6.905  -9.043  -7.245
  437    HA   ASN  57           HA       ASN  57  -6.629 -11.509  -8.789
  438   1HB   ASN  57          1HB       ASN  57  -6.788  -8.680  -9.339
  439   2HB   ASN  57          2HB       ASN  57  -5.370  -9.378 -10.096
  440   1HD2  ASN  57          2HD2      ASN  57  -8.468  -8.597 -10.640
  441   2HD2  ASN  57          1HD2      ASN  57  -8.904  -9.816 -11.817
  442    H    LEU  58           H        LEU  58  -4.744  -9.438  -6.728
  443    HA   LEU  58           HA       LEU  58  -2.177 -10.030  -7.677
  444   1HB   LEU  58          1HB       LEU  58  -3.344  -8.817  -5.347
  445   2HB   LEU  58          2HB       LEU  58  -1.928  -9.761  -4.934
  446    HG   LEU  58           HG       LEU  58  -2.020  -7.573  -6.984
  447   1HD1  LEU  58          1HD1      LEU  58  -2.245  -6.709  -4.696
  448   2HD1  LEU  58          2HD1      LEU  58  -0.794  -7.652  -4.210
  449   3HD1  LEU  58          3HD1      LEU  58  -0.637  -6.303  -5.389
  450   1HD2  LEU  58          1HD2      LEU  58   0.309  -9.160  -5.867
  451   2HD2  LEU  58          2HD2      LEU  58  -0.363  -9.304  -7.528
  452   3HD2  LEU  58          3HD2      LEU  58   0.429  -7.776  -7.009
  453    H    ASP  59           H        ASP  59  -0.647 -11.166  -5.811
  454    HA   ASP  59           HA       ASP  59  -1.544 -13.983  -5.928
  455   1HB   ASP  59          1HB       ASP  59   0.843 -12.732  -6.558
  456   2HB   ASP  59          2HB       ASP  59   1.157 -13.469  -5.000
  457    H    GLU  60           H        GLU  60  -1.839 -15.204  -4.076
  458    HA   GLU  60           HA       GLU  60  -2.192 -13.880  -1.584
  459   1HB   GLU  60          1HB       GLU  60  -2.727 -16.412  -2.677
  460   2HB   GLU  60          2HB       GLU  60  -1.752 -16.691  -1.247
  461   1HG   GLU  60          1HG       GLU  60  -3.308 -15.667   0.165
  462   2HG   GLU  60          2HG       GLU  60  -4.074 -14.802  -1.152
  463    H    LYS  61           H        LYS  61   0.617 -15.007  -3.142
  464    HA   LYS  61           HA       LYS  61   2.152 -15.071  -0.643
  465   1HB   LYS  61          1HB       LYS  61   2.465 -16.143  -3.357
  466   2HB   LYS  61          2HB       LYS  61   3.939 -15.563  -2.609
  467   1HG   LYS  61          1HG       LYS  61   3.678 -17.017  -0.740
  468   2HG   LYS  61          2HG       LYS  61   2.022 -17.390  -1.173
  469   1HD   LYS  61          1HD       LYS  61   4.205 -18.037  -3.103
  470   2HD   LYS  61          2HD       LYS  61   3.943 -19.093  -1.730
  471   1HE   LYS  61          1HE       LYS  61   1.578 -19.352  -2.397
  472   2HE   LYS  61          2HE       LYS  61   1.866 -18.323  -3.786
  473   1HZ   LYS  61          1HZ       LYS  61   3.462 -19.911  -4.572
  474   2HZ   LYS  61          2HZ       LYS  61   3.190 -20.883  -3.260
  475   3HZ   LYS  61          3HZ       LYS  61   1.985 -20.631  -4.367
  476    H    CYS  62           H        CYS  62   1.287 -12.868  -3.095
  477    HA   CYS  62           HA       CYS  62   3.520 -11.078  -2.404
  478   1HB   CYS  62          1HB       CYS  62   1.593 -11.215  -4.676
  479   2HB   CYS  62          2HB       CYS  62   2.519  -9.765  -4.343
  480    H    MET  63           H        MET  63   0.305 -11.748  -1.586
  481    HA   MET  63           HA       MET  63  -0.450  -8.988  -1.068
  482   1HB   MET  63          1HB       MET  63  -1.772 -11.645  -0.676
  483   2HB   MET  63          2HB       MET  63  -2.491 -10.135  -0.153
  484   1HG   MET  63          1HG       MET  63  -3.002  -9.493  -2.240
  485   2HG   MET  63          2HG       MET  63  -1.582 -10.246  -2.936
  486   1HE   MET  63          1HE       MET  63  -3.828 -12.259  -0.552
  487   2HE   MET  63          2HE       MET  63  -5.021 -11.081  -1.204
  488   3HE   MET  63          3HE       MET  63  -5.155 -12.824  -1.625
  489    H    CYS  64           H        CYS  64   1.487  -8.729   0.395
  490    HA   CYS  64           HA       CYS  64   1.027  -8.532   3.018
  491   1HB   CYS  64          1HB       CYS  64   0.632 -10.569   3.839
  492   2HB   CYS  64          2HB       CYS  64   1.374 -11.376   2.473
  493    HA   PRO  65           HA       PRO  65   5.665  -8.905   2.477
  494   1HB   PRO  65          1HB       PRO  65   6.683 -10.211   0.263
  495   2HB   PRO  65          2HB       PRO  65   6.465 -10.944   1.839
  496   1HG   PRO  65          1HG       PRO  65   4.914 -11.345  -0.610
  497   2HG   PRO  65          2HG       PRO  65   4.977 -12.340   0.830
  498   1HD   PRO  65          1HD       PRO  65   2.933 -10.531   0.079
  499   2HD   PRO  65          2HD       PRO  65   3.050 -11.446   1.569
  500    H    ALA  66           H        ALA  66   3.863  -8.650  -0.544
  501    HA   ALA  66           HA       ALA  66   5.645  -6.695  -1.682
  502   1HB   ALA  66          1HB       ALA  66   4.325  -8.222  -3.062
  503   2HB   ALA  66          2HB       ALA  66   2.817  -7.531  -2.367
  504   3HB   ALA  66          3HB       ALA  66   3.885  -6.510  -3.391
  505    H    ILE  67           H        ILE  67   2.382  -6.637  -0.219
  506    HA   ILE  67           HA       ILE  67   1.732  -4.008  -0.374
  507    HB   ILE  67           HB       ILE  67   1.345  -6.036   1.740
  508   1HG1  ILE  67          1HG1      ILE  67  -0.188  -4.760  -0.407
  509   2HG1  ILE  67          2HG1      ILE  67  -0.284  -6.389   0.230
  510   1HG2  ILE  67          1HG2      ILE  67   1.755  -4.017   3.056
  511   2HG2  ILE  67          2HG2      ILE  67   0.551  -3.123   2.064
  512   3HG2  ILE  67          3HG2      ILE  67   0.017  -4.473   3.124
  513   1HD1  ILE  67          1HD1      ILE  67  -1.557  -5.579   2.180
  514   2HD1  ILE  67          2HD1      ILE  67  -1.459  -3.906   1.527
  515   3HD1  ILE  67          3HD1      ILE  67  -2.380  -5.166   0.635
  516    H    MET  68           H        MET  68   3.933  -5.402   2.114
  517    HA   MET  68           HA       MET  68   4.600  -3.178   3.536
  518   1HB   MET  68          1HB       MET  68   5.894  -5.656   2.767
  519   2HB   MET  68          2HB       MET  68   7.039  -4.372   3.093
  520   1HG   MET  68          1HG       MET  68   4.775  -5.017   4.953
  521   2HG   MET  68          2HG       MET  68   6.344  -5.786   5.082
  522   1HE   MET  68          1HE       MET  68   5.580  -4.544   7.635
  523   2HE   MET  68          2HE       MET  68   7.267  -5.054   7.280
  524   3HE   MET  68          3HE       MET  68   6.951  -3.443   8.014
  525    H    MET  69           H        MET  69   6.334  -4.172   0.573
  526    HA   MET  69           HA       MET  69   7.838  -1.834   0.251
  527   1HB   MET  69          1HB       MET  69   6.857  -3.953  -1.616
  528   2HB   MET  69          2HB       MET  69   7.800  -2.599  -2.205
  529   1HG   MET  69          1HG       MET  69   8.658  -4.498  -0.034
  530   2HG   MET  69          2HG       MET  69   9.213  -4.544  -1.695
  531   1HE   MET  69          1HE       MET  69  11.287  -4.482   0.602
  532   2HE   MET  69          2HE       MET  69  11.727  -4.380  -1.138
  533   3HE   MET  69          3HE       MET  69  12.421  -3.207   0.035
  534    H    MET  70           H        MET  70   4.509  -2.481  -0.663
  535    HA   MET  70           HA       MET  70   4.085  -0.369  -2.436
  536   1HB   MET  70          1HB       MET  70   2.038  -1.193  -2.396
  537   2HB   MET  70          2HB       MET  70   2.590  -2.321  -1.174
  538   1HG   MET  70          1HG       MET  70   2.021  -0.440   0.476
  539   2HG   MET  70          2HG       MET  70   1.079   0.216  -0.847
  540   1HE   MET  70          1HE       MET  70  -0.481  -0.029   1.646
  541   2HE   MET  70          2HE       MET  70  -1.244   0.263   0.044
  542   3HE   MET  70          3HE       MET  70  -1.911  -0.995   1.142
  543    H    LEU  71           H        LEU  71   4.167  -0.412   1.081
  544    HA   LEU  71           HA       LEU  71   3.399   2.388   1.192
  545   1HB   LEU  71          1HB       LEU  71   3.978   0.547   3.471
  546   2HB   LEU  71          2HB       LEU  71   3.191   2.111   3.538
  547    HG   LEU  71           HG       LEU  71   1.538   0.772   1.887
  548   1HD1  LEU  71          1HD1      LEU  71   2.790  -1.303   2.130
  549   2HD1  LEU  71          2HD1      LEU  71   2.592  -1.205   3.915
  550   3HD1  LEU  71          3HD1      LEU  71   1.154  -1.447   2.862
  551   1HD2  LEU  71          1HD2      LEU  71   1.420   0.747   4.912
  552   2HD2  LEU  71          2HD2      LEU  71   0.845   2.076   3.847
  553   3HD2  LEU  71          3HD2      LEU  71   0.036   0.471   3.798
  554    H    ASN  72           H        ASN  72   5.944   1.280   0.086
  555    HA   ASN  72           HA       ASN  72   7.756   3.088   1.534
  556   1HB   ASN  72          1HB       ASN  72   8.457   0.358   0.494
  557   2HB   ASN  72          2HB       ASN  72   9.543   1.477   1.295
  558   1HD2  ASN  72          2HD2      ASN  72   7.969   2.363   3.399
  559   2HD2  ASN  72          1HD2      ASN  72   7.725   1.017   4.489
  560    H    GLU  73           H        GLU  73   6.080   2.791  -1.121
  561    HA   GLU  73           HA       GLU  73   7.945   2.735  -3.226
  562   1HB   GLU  73          1HB       GLU  73   5.134   3.199  -2.871
  563   2HB   GLU  73          2HB       GLU  73   5.790   4.366  -4.001
  564   1HG   GLU  73          1HG       GLU  73   6.690   2.629  -5.377
  565   2HG   GLU  73          2HG       GLU  73   6.280   1.409  -4.189
  566    HA   PRO  74           HA       PRO  74   9.603   6.781  -3.382
  567   1HB   PRO  74          1HB       PRO  74   9.217   7.627  -5.971
  568   2HB   PRO  74          2HB       PRO  74  10.480   6.525  -5.457
  569   1HG   PRO  74          1HG       PRO  74   8.030   5.948  -6.975
  570   2HG   PRO  74          2HG       PRO  74   9.484   4.983  -6.823
  571   1HD   PRO  74          1HD       PRO  74   7.022   4.618  -5.466
  572   2HD   PRO  74          2HD       PRO  74   8.504   3.707  -5.251
  573    H    MET  75           H        MET  75   6.392   6.371  -3.387
  574    HA   MET  75           HA       MET  75   5.853   9.268  -3.250
  575   1HB   MET  75          1HB       MET  75   4.738   7.324  -4.997
  576   2HB   MET  75          2HB       MET  75   3.491   7.845  -3.882
  577   1HG   MET  75          1HG       MET  75   4.258  10.230  -4.430
  578   2HG   MET  75          2HG       MET  75   5.096   9.510  -5.791
  579   1HE   MET  75          1HE       MET  75   3.119  11.704  -6.460
  580   2HE   MET  75          2HE       MET  75   3.892  10.661  -7.704
  581   3HE   MET  75          3HE       MET  75   2.118  10.948  -7.748
  582    H    TRP  76           H        TRP  76   6.209   6.575  -1.463
  583    HA   TRP  76           HA       TRP  76   4.212   7.445   0.496
  584   1HB   TRP  76          1HB       TRP  76   5.044   4.703  -0.275
  585   2HB   TRP  76          2HB       TRP  76   4.242   5.047   1.244
  586    HD1  TRP  76           HD       TRP  76   3.493   4.323  -2.329
  587    HE1  TRP  76           1HE      TRP  76   0.962   4.565  -2.774
  588    HE3  TRP  76           3HE      TRP  76   2.132   6.566   2.013
  589    HZ2  TRP  76           2HZ      TRP  76  -1.333   5.603  -1.405
  590    HZ3  TRP  76           3HZ      TRP  76  -0.204   7.241   2.412
  591    HH2  TRP  76           HH       TRP  76  -1.929   6.748   0.721
  592    H    ILE  77           H        ILE  77   5.617   8.896   1.516
  593    HA   ILE  77           HA       ILE  77   8.040   7.619   2.651
  594    HB   ILE  77           HB       ILE  77   7.873  10.558   2.327
  595   1HG1  ILE  77          1HG1      ILE  77   7.517  10.112   0.109
  596   2HG1  ILE  77          2HG1      ILE  77   9.265  10.180   0.200
  597   1HG2  ILE  77          1HG2      ILE  77   9.644   9.680   3.743
  598   2HG2  ILE  77          2HG2      ILE  77  10.180   8.594   2.415
  599   3HG2  ILE  77          3HG2      ILE  77  10.340  10.375   2.238
  600   1HD1  ILE  77          1HD1      ILE  77   9.379   7.714   0.307
  601   2HD1  ILE  77          2HD1      ILE  77   7.585   7.645   0.212
  602   3HD1  ILE  77          3HD1      ILE  77   8.535   8.274  -1.179
  603    H    ARG  78           H        ARG  78   8.088  10.350   4.204
  604    HA   ARG  78           HA       ARG  78   7.229   9.577   6.667
  605   1HB   ARG  78          1HB       ARG  78   6.772  12.004   7.103
  606   2HB   ARG  78          2HB       ARG  78   8.364  11.637   6.469
  607   1HG   ARG  78          1HG       ARG  78   6.950  12.046   4.167
  608   2HG   ARG  78          2HG       ARG  78   6.173  13.179   5.255
  609   1HD   ARG  78          1HD       ARG  78   9.158  13.046   5.047
  610   2HD   ARG  78          2HD       ARG  78   8.217  13.994   3.912
  611    HE   ARG  78           HE       ARG  78   8.850  14.698   6.611
  612   1HH1  ARG  78          1HH2      ARG  78   6.265  14.946   4.250
  613   2HH1  ARG  78          2HH2      ARG  78   5.579  16.371   4.999
  614   1HH2  ARG  78          1HH1      ARG  78   7.921  16.527   7.543
  615   2HH2  ARG  78          2HH1      ARG  78   6.498  17.246   6.823
  616    H    MET  79           H        MET  79   5.209  11.253   4.248
  617    HA   MET  79           HA       MET  79   2.832  11.470   5.550
  618   1HB   MET  79          1HB       MET  79   1.930  10.604   3.186
  619   2HB   MET  79          2HB       MET  79   2.590  12.209   3.433
  620   1HG   MET  79          1HG       MET  79   4.561  11.715   2.356
  621   2HG   MET  79          2HG       MET  79   4.459  10.006   2.731
  622   1HE   MET  79          1HE       MET  79   3.288   8.257   1.501
  623   2HE   MET  79          2HE       MET  79   1.755   9.079   1.957
  624   3HE   MET  79          3HE       MET  79   2.022   8.553   0.260
  625    H    ARG  80           H        ARG  80   4.049   8.533   3.968
  626    HA   ARG  80           HA       ARG  80   1.961   6.836   4.610
  627   1HB   ARG  80          1HB       ARG  80   3.781   6.189   3.107
  628   2HB   ARG  80          2HB       ARG  80   4.834   6.043   4.500
  629   1HG   ARG  80          1HG       ARG  80   4.021   3.861   3.977
  630   2HG   ARG  80          2HG       ARG  80   3.226   4.385   5.447
  631   1HD   ARG  80          1HD       ARG  80   1.449   3.562   4.290
  632   2HD   ARG  80          2HD       ARG  80   1.404   5.243   3.796
  633    HE   ARG  80           HE       ARG  80   2.939   4.007   1.905
  634   1HH1  ARG  80          1HH2      ARG  80  -0.377   3.755   2.969
  635   2HH1  ARG  80          2HH2      ARG  80  -0.916   3.053   1.460
  636   1HH2  ARG  80          1HH1      ARG  80   2.205   3.001   0.003
  637   2HH2  ARG  80          2HH1      ARG  80   0.501   2.640  -0.167
  638    H    ASP  81           H        ASP  81   4.846   7.590   6.594
  639    HA   ASP  81           HA       ASP  81   4.939   6.050   8.682
  640   1HB   ASP  81          1HB       ASP  81   5.782   8.419   8.564
  641   2HB   ASP  81          2HB       ASP  81   4.220   8.918   9.182
  642    H    GLN  82           H        GLN  82   2.337   8.489   8.676
  643    HA   GLN  82           HA       GLN  82   0.898   7.255  10.779
  644   1HB   GLN  82          1HB       GLN  82  -0.022   9.236   8.738
  645   2HB   GLN  82          2HB       GLN  82  -0.928   8.752  10.157
  646   1HG   GLN  82          1HG       GLN  82   1.656  10.249  10.019
  647   2HG   GLN  82          2HG       GLN  82   0.155  10.735  10.780
  648   1HE2  GLN  82          2HE2      GLN  82   3.193   9.366  11.236
  649   2HE2  GLN  82          1HE2      GLN  82   2.962   8.708  12.840
  650    H    VAL  83           H        VAL  83  -0.422   7.754   7.528
  651    HA   VAL  83           HA       VAL  83  -2.366   5.965   7.321
  652    HB   VAL  83           HB       VAL  83  -2.247   6.634   5.248
  653   1HG1  VAL  83          1HG1      VAL  83  -0.682   8.353   5.856
  654   2HG1  VAL  83          2HG1      VAL  83   0.685   7.211   5.622
  655   3HG1  VAL  83          3HG1      VAL  83  -0.310   7.722   4.215
  656   1HG2  VAL  83          1HG2      VAL  83   0.071   4.754   4.881
  657   2HG2  VAL  83          2HG2      VAL  83  -1.674   4.367   4.694
  658   3HG2  VAL  83          3HG2      VAL  83  -0.884   5.519   3.564
  659    H    MET  84           H        MET  84   1.022   5.002   7.249
  660    HA   MET  84           HA       MET  84   1.107   2.402   6.693
  661   1HB   MET  84          1HB       MET  84   2.784   4.101   7.910
  662   2HB   MET  84          2HB       MET  84   2.323   3.121   9.287
  663   1HG   MET  84          1HG       MET  84   2.831   1.120   7.771
  664   2HG   MET  84          2HG       MET  84   3.673   2.278   6.761
  665   1HE   MET  84          1HE       MET  84   5.972   3.120   7.085
  666   2HE   MET  84          2HE       MET  84   5.201   4.247   8.254
  667   3HE   MET  84          3HE       MET  84   6.717   3.390   8.699
  668    H    SER  85           H        SER  85  -0.354   3.775   9.593
  669    HA   SER  85           HA       SER  85  -1.189   1.191  10.589
  670   1HB   SER  85          1HB       SER  85  -0.433   3.039  12.074
  671   2HB   SER  85          2HB       SER  85  -1.881   3.917  11.622
  672    HG   SER  85           HG       SER  85  -2.176   2.667  13.540
  673    H    MET  86           H        MET  86  -2.195   1.593   8.022
  674    HA   MET  86           HA       MET  86  -5.042   1.455   8.557
  675   1HB   MET  86          1HB       MET  86  -3.789   3.715   7.121
  676   2HB   MET  86          2HB       MET  86  -5.273   3.051   6.466
  677   1HG   MET  86          1HG       MET  86  -4.927   4.041   9.279
  678   2HG   MET  86          2HG       MET  86  -5.674   4.945   7.978
  679   1HE   MET  86          1HE       MET  86  -7.124   4.440  10.695
  680   2HE   MET  86          2HE       MET  86  -7.866   5.302   9.302
  681   3HE   MET  86          3HE       MET  86  -8.767   3.982  10.127
  682    H    ALA  87           H        ALA  87  -2.521   1.652   6.018
  683    HA   ALA  87           HA       ALA  87  -3.971  -0.191   4.330
  684   1HB   ALA  87          1HB       ALA  87  -2.578   1.571   3.386
  685   2HB   ALA  87          2HB       ALA  87  -1.142   0.879   4.218
  686   3HB   ALA  87          3HB       ALA  87  -1.958  -0.049   2.912
  687    H    HIS  88           H        HIS  88  -2.538  -0.731   7.199
  688    HA   HIS  88           HA       HIS  88  -1.365  -3.310   6.425
  689   1HB   HIS  88          1HB       HIS  88  -0.268  -3.289   8.456
  690   2HB   HIS  88          2HB       HIS  88  -0.233  -1.616   7.936
  691    HD1  HIS  88           1HD      HIS  88  -0.489  -3.306  10.978
  692    HD2  HIS  88           2HD      HIS  88  -2.872  -0.402   9.074
  693    HE1  HIS  88           1HE      HIS  88  -1.795  -2.092  12.837
  694    HE2  HIS  88           2HE      HIS  88  -3.271  -0.335  11.664
  695    H    ASN  89           H        ASN  89  -4.144  -1.862   7.936
  696    HA   ASN  89           HA       ASN  89  -5.178  -4.539   8.655
  697   1HB   ASN  89          1HB       ASN  89  -5.647  -1.784   9.662
  698   2HB   ASN  89          2HB       ASN  89  -6.972  -2.929   9.727
  699   1HD2  ASN  89          2HD2      ASN  89  -3.468  -3.310  10.124
  700   2HD2  ASN  89          1HD2      ASN  89  -3.542  -3.994  11.732
  701    H    LEU  90           H        LEU  90  -5.545  -1.857   6.495
  702    HA   LEU  90           HA       LEU  90  -8.209  -2.279   5.679
  703   1HB   LEU  90          1HB       LEU  90  -5.812  -0.974   4.524
  704   2HB   LEU  90          2HB       LEU  90  -7.165  -1.304   3.459
  705    HG   LEU  90           HG       LEU  90  -7.377   0.238   6.025
  706   1HD1  LEU  90          1HD1      LEU  90  -5.928   1.417   4.442
  707   2HD1  LEU  90          2HD1      LEU  90  -7.178   1.229   3.164
  708   3HD1  LEU  90          3HD1      LEU  90  -7.511   2.254   4.603
  709   1HD2  LEU  90          1HD2      LEU  90  -9.298  -0.097   3.708
  710   2HD2  LEU  90          2HD2      LEU  90  -9.465  -0.837   5.338
  711   3HD2  LEU  90          3HD2      LEU  90  -9.559   0.948   5.148
  712    HA   PRO  91           HA       PRO  91  -6.528  -5.305   2.448
  713   1HB   PRO  91          1HB       PRO  91  -3.969  -6.268   2.761
  714   2HB   PRO  91          2HB       PRO  91  -4.414  -4.952   1.694
  715   1HG   PRO  91          1HG       PRO  91  -2.982  -4.857   4.242
  716   2HG   PRO  91          2HG       PRO  91  -3.071  -3.646   2.978
  717   1HD   PRO  91          1HD       PRO  91  -4.482  -3.688   5.431
  718   2HD   PRO  91          2HD       PRO  91  -4.635  -2.525   4.129
  719    H    ILE  92           H        ILE  92  -5.594  -5.591   5.795
  720    HA   ILE  92           HA       ILE  92  -5.779  -8.465   5.861
  721    HB   ILE  92           HB       ILE  92  -5.474  -6.296   7.846
  722   1HG1  ILE  92          1HG1      ILE  92  -3.872  -8.424   6.670
  723   2HG1  ILE  92          2HG1      ILE  92  -3.406  -6.830   7.230
  724   1HG2  ILE  92          1HG2      ILE  92  -7.144  -7.725   8.892
  725   2HG2  ILE  92          2HG2      ILE  92  -6.116  -9.165   8.572
  726   3HG2  ILE  92          3HG2      ILE  92  -5.555  -7.899   9.718
  727   1HD1  ILE  92          1HD1      ILE  92  -3.409  -7.622   9.557
  728   2HD1  ILE  92          2HD1      ILE  92  -3.887  -9.257   8.981
  729   3HD1  ILE  92          3HD1      ILE  92  -2.286  -8.578   8.528
  730    H    GLU  93           H        GLU  93  -7.880  -5.783   6.902
  731    HA   GLU  93           HA       GLU  93  -9.991  -7.194   7.984
  732   1HB   GLU  93          1HB       GLU  93  -9.733  -4.599   6.583
  733   2HB   GLU  93          2HB       GLU  93 -11.354  -5.244   6.753
  734   1HG   GLU  93          1HG       GLU  93 -10.024  -5.530   9.255
  735   2HG   GLU  93          2HG       GLU  93  -9.793  -3.883   8.700
  736    H    CYS  94           H        CYS  94  -9.072  -6.923   4.615
  737    HA   CYS  94           HA       CYS  94 -11.442  -8.334   3.732
  738   1HB   CYS  94          1HB       CYS  94  -9.093  -7.052   2.515
  739   2HB   CYS  94          2HB       CYS  94  -9.805  -8.384   1.629
  740    H    ASN  95           H        ASN  95  -8.213  -9.209   2.708
  741    HA   ASN  95           HA       ASN  95  -7.718 -11.520   4.137
  742   1HB   ASN  95          1HB       ASN  95 -10.027 -12.010   2.794
  743   2HB   ASN  95          2HB       ASN  95  -8.847 -12.563   1.624
  744   1HD2  ASN  95          2HD2      ASN  95  -6.821 -13.533   3.184
  745   2HD2  ASN  95          1HD2      ASN  95  -7.395 -14.881   4.141
  746    H    LEU  96           H        LEU  96  -6.427  -9.332   2.744
  747    HA   LEU  96           HA       LEU  96  -5.122 -10.638   0.480
  748   1HB   LEU  96          1HB       LEU  96  -4.585  -7.883   1.469
  749   2HB   LEU  96          2HB       LEU  96  -4.277  -8.550  -0.121
  750    HG   LEU  96           HG       LEU  96  -7.021  -8.176   1.016
  751   1HD1  LEU  96          1HD1      LEU  96  -5.945  -6.014   0.908
  752   2HD1  LEU  96          2HD1      LEU  96  -5.462  -6.332  -0.794
  753   3HD1  LEU  96          3HD1      LEU  96  -7.201  -6.156  -0.371
  754   1HD2  LEU  96          1HD2      LEU  96  -6.085  -8.669  -1.819
  755   2HD2  LEU  96          2HD2      LEU  96  -6.920  -9.848  -0.749
  756   3HD2  LEU  96          3HD2      LEU  96  -7.784  -8.375  -1.312
  757    H    MET  97           H        MET  97  -4.068  -8.806   3.332
  758    HA   MET  97           HA       MET  97  -1.775 -10.650   3.549
  759   1HB   MET  97          1HB       MET  97  -0.513  -8.823   4.479
  760   2HB   MET  97          2HB       MET  97  -1.153  -8.386   2.908
  761   1HG   MET  97          1HG       MET  97  -2.247  -6.664   3.773
  762   2HG   MET  97          2HG       MET  97  -3.040  -7.706   4.937
  763   1HE   MET  97          1HE       MET  97   0.797  -7.209   4.573
  764   2HE   MET  97          2HE       MET  97   0.138  -5.596   4.131
  765   3HE   MET  97          3HE       MET  97   1.092  -5.793   5.641
  766    H    SER  98           H        SER  98  -4.536 -10.747   4.761
  767    HA   SER  98           HA       SER  98  -4.765 -10.103   7.361
  768   1HB   SER  98          1HB       SER  98  -5.821 -12.462   7.654
  769   2HB   SER  98          2HB       SER  98  -6.569 -11.282   6.596
  770    HG   SER  98           HG       SER  98  -6.327 -13.339   5.579
  771    H    GLN  99           H        GLN  99  -3.554 -13.344   6.625
  772    HA   GLN  99           HA       GLN  99  -1.189 -12.892   8.231
  773   1HB   GLN  99          1HB       GLN  99  -1.809 -14.838   9.742
  774   2HB   GLN  99          2HB       GLN  99  -2.628 -13.314  10.027
  775   1HG   GLN  99          1HG       GLN  99  -4.583 -14.093   8.820
  776   2HG   GLN  99          2HG       GLN  99  -3.762 -15.581   8.392
  777   1HE2  GLN  99          2HE2      GLN  99  -5.960 -16.208   9.423
  778   2HE2  GLN  99          1HE2      GLN  99  -5.875 -16.604  11.124
  779    HA   PRO 100           HA       PRO 100  -1.126 -16.160   4.909
  780   1HB   PRO 100          1HB       PRO 100   0.319 -14.794   2.992
  781   2HB   PRO 100          2HB       PRO 100  -1.425 -14.957   2.998
  782   1HG   PRO 100          1HG       PRO 100   0.204 -12.613   3.620
  783   2HG   PRO 100          2HG       PRO 100  -1.509 -12.700   3.259
  784   1HD   PRO 100          1HD       PRO 100  -0.283 -12.385   5.803
  785   2HD   PRO 100          2HD       PRO 100  -1.994 -12.525   5.447
  786    H    CYS 101           H        CYS 101   1.560 -13.777   5.028
  787    HA   CYS 101           HA       CYS 101   3.549 -15.839   5.107
  788   1HB   CYS 101          1HB       CYS 101   4.095 -13.063   5.979
  789   2HB   CYS 101          2HB       CYS 101   5.087 -14.152   5.030
  790    H    GLN 102           H        GLN 102   3.704 -17.159   6.780
  791    HA   GLN 102           HA       GLN 102   3.643 -15.948   9.487
  792   1HB   GLN 102          1HB       GLN 102   2.611 -18.632   8.640
  793   2HB   GLN 102          2HB       GLN 102   2.735 -18.086  10.299
  794   1HG   GLN 102          1HG       GLN 102   1.427 -16.015   9.009
  795   2HG   GLN 102          2HG       GLN 102   0.739 -17.457   8.290
  796   1HE2  GLN 102          2HE2      GLN 102  -1.261 -16.739   9.293
  797   2HE2  GLN 102          1HE2      GLN 102  -1.553 -17.122  10.974
  798    H    MET 103           H        MET 103   4.622 -17.787  11.066
  799    HA   MET 103           HA       MET 103   7.301 -17.913  10.900
  800   1HB   MET 103          1HB       MET 103   5.844 -18.802  12.718
  801   2HB   MET 103          2HB       MET 103   5.645 -20.262  11.770
  802   1HG   MET 103          1HG       MET 103   8.179 -20.439  11.769
  803   2HG   MET 103          2HG       MET 103   8.171 -19.186  12.992
  804   1HE   MET 103          1HE       MET 103   9.653 -21.657  13.761
  805   2HE   MET 103          2HE       MET 103   9.237 -20.355  14.929
  806   3HE   MET 103          3HE       MET 103   8.939 -22.076  15.357