*HEADER    IMMUNE SYSTEM                           28-MAR-01   1HA6
*TITLE     NMR SOLUTION STRUCTURE OF MURINE CCL20/MIP-3A CHEMOKINE
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: MACROPHAGE INFLAMMATORY PROTEIN 3 ALPHA;
*COMPND   3 CHAIN: A;
*COMPND   4 SYNONYM: MIP-3-ALPHA, CC CHEMOKINE LARC
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES;
*SOURCE   3 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
*SOURCE   4 ORGANISM_COMMON: MOUSE;
*SOURCE   5 TISSUE: MUSCLE;
*SOURCE   6 CELLULAR_LOCATION: SECRETED
*KEYWDS    NMR, CHEMIOKINE, MOUSE, CCL20/MIP-3A, DEFENSINS
*EXPDTA    NMR, 20 STRUCTURES
*AUTHOR    J.M.PEREZ-CANADILLAS,A.ZABALLOS,J.GUTIERREZ,R.VARONA,
*AUTHOR   2 F.RONCAL,J.P.ALBAR,G.MARQUEZ,M.BRUIX




  1 ALA  HA      1 ALA  QB      4.72                
  1 ALA  HA      2 SER  HN      3.30                
  1 ALA  QB      2 SER  HN      7.03                
  2 SER  HN      2 SER  HA      4.42                
  2 SER  HN      2 SER  QB      5.44                
  2 SER  HA      2 SER  QB      4.28                
  2 SER  HA      3 ASN  HN      3.26                
  3 ASN  HN      3 ASN  HA      3.62                
  3 ASN  HN      3 ASN  QB      4.79                
  3 ASN  HN      3 ASN  HD21    6.00                
  3 ASN  HN      4 TYR  QD      7.74                
  3 ASN  HA      4 TYR  HN      3.12                
  3 ASN  QB      3 ASN  HD21    6.88                
  3 ASN  QB      3 ASN  HD22    5.69                
  3 ASN  HD21    3 ASN  HD22    2.40                
  3 ASN  HD21   34 ILE  QG2     6.27                
  3 ASN  HD22   34 ILE  QD1     6.63                
  4 TYR  HN      4 TYR  HA      3.37                
  4 TYR  HN      4 TYR  HB2     2.80                
  4 TYR  HN      4 TYR  HB3     3.16                
  4 TYR  HA      4 TYR  HB2     2.94                
  4 TYR  HA      4 TYR  HB3     3.19                
  4 TYR  HA      4 TYR  QD      7.02                
  4 TYR  HA      5 ASP- HN      2.72                
  4 TYR  HB2     4 TYR  HB3     2.40                
  4 TYR  HB2     4 TYR  QD      6.45                
  4 TYR  HB2     4 TYR  QE      8.13                
  4 TYR  HB2     5 ASP- HN      4.02                
  4 TYR  HB2    26 GLN  HE22    6.00                
  4 TYR  HB3     4 TYR  QD      6.12                
  4 TYR  HB3     5 ASP- HN      4.67                
  4 TYR  QD      4 TYR  QE      7.72                
  4 TYR  QD     33 ASP- HB3     8.14                
  4 TYR  QD     34 ILE  HA      8.14                
  5 ASP- HN      5 ASP- HA      3.23                
  5 ASP- HN      5 ASP- HB2     3.16                
  5 ASP- HN      5 ASP- HB3     3.48                
  5 ASP- HN      6 CYSS HN      3.26                
  5 ASP- HA      5 ASP- HB3     2.87                
  5 ASP- HA      6 CYSS HN      2.69                
  5 ASP- HA     10 TYR  HN      4.99                
  5 ASP- HB2     5 ASP- HB3     2.40                
  6 CYSS HN      6 CYSS HA      3.23                
  6 CYSS HN      6 CYSS HB2     2.40                
  6 CYSS HA      6 CYSS HB2     3.48                
  6 CYSS HA      6 CYSS HB3     2.94                
  6 CYSS HA      7 CYSS HN      3.50                
  6 CYSS HA     33 ASP- HB2     5.64                
  6 CYSS CB     32 CYSS SG      3.10                
  6 CYSS HB2     7 CYSS HN      2.94                
  6 CYSS HB2    26 GLN  HE21    6.00                
  6 CYSS HB2    26 GLN  HE22    4.78                
  6 CYSS HB2    32 CYSS HA      4.24                
  6 CYSS HB2    34 ILE  QG2     7.03                
  6 CYSS HB3     7 CYSS HN      3.77                
  6 CYSS SG     32 CYSS CB      3.10                
  6 CYSS SG     32 CYSS SG      2.10                
  7 CYSS HN      7 CYSS HA      3.55                
  7 CYSS HN      7 CYSS HB2     3.26                
  7 CYSS HN     26 GLN  HE21    5.42                
  7 CYSS HN     26 GLN  HE22    3.91                
  7 CYSS HN     36 ALA  QB      7.03                
  7 CYSS HN     38 ILE  QD1     6.96                
  7 CYSS HA      7 CYSS HB2     3.30                
  7 CYSS HA      8 LEU  HN      3.00                
  7 CYSS HA      8 LEU  QD1     7.03                
  7 CYSS CB     48 CYSS SG      3.10                
  7 CYSS HB3     8 LEU  HN      4.16                
  7 CYSS HB3    26 GLN  HE22    6.00 
  7 CYSS HB3    36 ALA  QB      4.87               
  7 CYSS HB3    48 CYSS HB2     3.84                
  7 CYSS HB3    48 CYSS HB3     3.98                
  7 CYSS SG     48 CYSS CB      3.10                
  7 CYSS SG     48 CYSS SG      2.10                
  8 LEU  HN      8 LEU  HA      3.59                
  8 LEU  HN      8 LEU  QB      3.85                
  8 LEU  HN      8 LEU  QD1     5.30                
  8 LEU  HN      8 LEU  QD2     5.37                
  8 LEU  HN      9 SER  HN      3.50                
  8 LEU  HA      8 LEU  QB      4.07                
  8 LEU  HA      8 LEU  HG      4.42                
  8 LEU  HA      8 LEU  QD1     3.68                
  8 LEU  HA      9 SER  HN      3.95                
  8 LEU  QB      8 LEU  QD1     4.63                
  8 LEU  QB      8 LEU  QD2     4.66                
  8 LEU  QB      9 SER  HN      4.21                
  8 LEU  QB      9 SER  QB      7.75                
  8 LEU  HG      8 LEU  QD1     3.43                
  8 LEU  HG      8 LEU  QD2     4.11                
  8 LEU  HG      9 SER  HN      6.00                
  9 SER  HN      9 SER  HA      3.16                
  9 SER  HN      9 SER  QB      4.64                
  9 SER  HA      9 SER  QB      3.78                
  9 SER  HA     10 TYR  HN      2.51                
  9 SER  HA     10 TYR  QD      8.14                
  9 SER  QB     10 TYR  HN      3.92                
 10 TYR  HN     10 TYR  HA      3.30                
 10 TYR  HN     10 TYR  HB2     2.87                
 10 TYR  HN     10 TYR  HB3     3.37                
 10 TYR  HN     10 TYR  QD      6.74                
 10 TYR  HN     10 TYR  QE      8.13                
 10 TYR  HA     10 TYR  HB2     3.08                
 10 TYR  HA     10 TYR  HB3     3.05                
 10 TYR  HA     10 TYR  QD      5.33                
 10 TYR  HA     10 TYR  QE      6.91                
 10 TYR  HA     11 ILE  HN      2.69                
 10 TYR  HA     48 CYSS HB2     6.00                
 10 TYR  HB2    10 TYR  HB3     2.44                
 10 TYR  HB2    10 TYR  QD      5.40                
 10 TYR  HB2    10 TYR  QE      6.87                
 10 TYR  HB2    11 ILE  HN      4.20
 10 TYR  HB2    50 ASP- HN      5.64             
 10 TYR  HB3    10 TYR  QD      5.84                
 10 TYR  HB3    10 TYR  QE      8.13                
 10 TYR  HB3    11 ILE  HN      3.48                
 10 TYR  HB3    48 CYSS HB2     6.00                
 10 TYR  HB3    49 ALA  HA      5.10                
 10 TYR  QD     11 ILE  HN      6.27                
 10 TYR  QD     12 GLN  HA      6.16                
 10 TYR  QD     14 PRO  HG3     6.77                
 10 TYR  QD     36 ALA  HA      8.10                
 10 TYR  QD     36 ALA  QB      7.30                
 10 TYR  QD     37 ILE  HN      8.14                
 10 TYR  QD     50 ASP- HN      7.60                
 10 TYR  QD     50 ASP- HA      6.56                
 10 TYR  QD     50 ASP- HB2     8.14                
 10 TYR  QD     51 PRO  HD3     8.14                
 10 TYR  QE     14 PRO  HG2     8.13                
 10 TYR  QE     14 PRO  HG3     8.13                
 10 TYR  QE     34 ILE  QG2     8.98                
 10 TYR  QE     34 ILE  QD1     7.47 
 10 TYR  QE     36 ALA  HA      7.00               
 10 TYR  QE     36 ALA  QB      6.59                
 10 TYR  QE     37 ILE  HN      7.38                
 10 TYR  QE     50 ASP- HA      5.90                
 10 TYR  QE     51 PRO  HD2     8.02                
 10 TYR  QE     51 PRO  HD3     6.80                
 10 TYR  QE     55 TRP  HZ2     8.13                
 11 ILE  HN     11 ILE  HA      3.05                
 11 ILE  HN     11 ILE  HB      2.94                
 11 ILE  HN     11 ILE  QG2     4.15                
 11 ILE  HN     11 ILE  HG12    3.52                
 11 ILE  HN     11 ILE  HG13    6.00                
 11 ILE  HN     11 ILE  QD1     6.42                
 11 ILE  HN     48 CYSS HB2     6.00                
 11 ILE  HN     53 GLN  HE21    6.00                
 11 ILE  HA     11 ILE  HB      2.80                
 11 ILE  HA     11 ILE  QG2     4.18                
 11 ILE  HA     11 ILE  HG12    3.98                
 11 ILE  HA     11 ILE  HG13    3.73                
 11 ILE  HA     11 ILE  QD1     5.30
 11 ILE  HA     12 GLN  HN      2.51             
 11 ILE  HB     11 ILE  QG2     3.79                
 11 ILE  HB     11 ILE  HG12    3.80                
 11 ILE  HB     11 ILE  HG13    3.77                
 11 ILE  HB     11 ILE  QD1     4.22
 11 ILE  HB     13 THR  HN      4.50               
 11 ILE  HB     47 VAL  QG2     4.69                
 11 ILE  QG2    11 ILE  HG12    4.29                
 11 ILE  QG2    11 ILE  HG13    4.22                
 11 ILE  QG2    11 ILE  QD1     6.44                
 11 ILE  QG2    12 GLN  HN      5.62                
 11 ILE  QG2    13 THR  HN      4.80                
 11 ILE  QG2    14 PRO  HG2     7.03                
 11 ILE  QG2    15 LEU  HN      7.03                
 11 ILE  QG2    49 ALA  HA      5.70                
 11 ILE  QG2    55 TRP  HZ2     3.82 
 11 ILE  QG2    55 TRP  HH2     4.29              
 11 ILE  HG12   11 ILE  QD1     4.29                
 11 ILE  HG12   12 GLN  HN      6.00                
 11 ILE  HG12   13 THR  HN      4.13
 11 ILE  HG12   49 ALA  HA      3.91                
 11 ILE  HG12   55 TRP  HZ2     6.00                
 11 ILE  HG13   11 ILE  QD1     4.08                
 11 ILE  HG13   12 GLN  HN      4.16                
 11 ILE  HG13   13 THR  HN      4.85                
 11 ILE  HG13   49 ALA  QB      7.03                
 11 ILE  HG13   55 TRP  HE1     5.35                
 11 ILE  HG13   55 TRP  HZ2     3.98                
 11 ILE  QD1    14 PRO  HG3     7.03                
 11 ILE  QD1    15 LEU  HB2     7.03                
 11 ILE  QD1    55 TRP  HZ2     4.87                
 11 ILE  QD1    55 TRP  HH2     4.98                
 11 ILE  QD1    56 VAL  QG2     8.06                
 12 GLN  HN     12 GLN  QB      3.96                
 12 GLN  HN     12 GLN  HG2     4.06                
 12 GLN  HN     12 GLN  HG3     3.34                
 12 GLN  HN     13 THR  HN      2.69                
 12 GLN  HA     12 GLN  QB      5.22                
 12 GLN  HA     12 GLN  HG2     3.98                
 12 GLN  HA     12 GLN  HG3     3.62                
 12 GLN  QB     12 GLN  HG2     3.28                
 12 GLN  QB     12 GLN  HG3     4.14                
 12 GLN  QB     13 THR  HN      5.51                
 12 GLN  HG2    13 THR  HN      6.00                
 12 GLN  HG3    12 GLN  HE21    6.00                
 12 GLN  HG3    12 GLN  HE22    4.92                
 12 GLN  HE21   12 GLN  HE22    2.40                
 13 THR  HN     13 THR  HA      3.01                
 13 THR  HN     13 THR  HB      2.83                
 13 THR  HN     13 THR  QG2     4.62                
 13 THR  HA     13 THR  HB      2.94                
 13 THR  HA     13 THR  QG2     4.40                
 13 THR  HA     14 PRO  HD2     2.62                
 13 THR  HA     14 PRO  HD3     3.05                
 13 THR  HB     13 THR  QG2     3.50                
 13 THR  HB     14 PRO  HD2     6.00                
 13 THR  HB     14 PRO  HD3     4.60                
 13 THR  QG2    14 PRO  HD2     5.59                
 13 THR  QG2    14 PRO  HD3     4.72                
 13 THR  QG2    16 PRO  HD3     7.03                
 14 PRO  HA     14 PRO  HB2     2.76                
 14 PRO  HA     14 PRO  HB3     2.90                
 14 PRO  HA     14 PRO  HG2     4.67                
 14 PRO  HA     15 LEU  HN      2.54                
 14 PRO  HA     15 LEU  HG      6.00                
 14 PRO  HA     44 ARG+ QD      6.88                
 14 PRO  HA     47 VAL  QG2     7.03                
 14 PRO  HA     55 TRP  HZ2     4.06                
 14 PRO  HA     55 TRP  HH2     5.32                
 14 PRO  HB2    14 PRO  HB3     2.40                
 14 PRO  HB2    14 PRO  HG2     2.83                
 14 PRO  HB2    14 PRO  HG3     3.91                
 14 PRO  HB2    14 PRO  HD3     5.06                
 14 PRO  HB2    15 LEU  HN      3.73                
 14 PRO  HB2    55 TRP  HB3     4.81                
 14 PRO  HB2    55 TRP  HD1     5.14                
 14 PRO  HB3    14 PRO  HG3     4.34                
 14 PRO  HB3    14 PRO  HD2     5.57                
 14 PRO  HB3    14 PRO  HD3     4.42                
 14 PRO  HG2    14 PRO  HG3     2.40                
 14 PRO  HG2    14 PRO  HD2     3.44                
 14 PRO  HG2    14 PRO  HD3     4.06                
 14 PRO  HG2    55 TRP  HD1     4.63                
 14 PRO  HG2    55 TRP  HE1     6.00                
 14 PRO  HG3    14 PRO  HD2     3.62                
 14 PRO  HG3    14 PRO  HD3     3.26                
 14 PRO  HG3    53 GLN  HG3     6.00                
 14 PRO  HG3    55 TRP  HD1     5.03                
 14 PRO  HD2    14 PRO  HD3     2.40                
 15 LEU  HN     15 LEU  HB2     3.48                
 15 LEU  HN     15 LEU  HG      3.84                
 15 LEU  HN     15 LEU  QD1     7.03                
 15 LEU  HN     15 LEU  QD2     4.44                
 15 LEU  HN     55 TRP  HE3     4.27                
 15 LEU  HN     55 TRP  HZ3     4.52                
 15 LEU  HN     55 TRP  HZ2     6.00                
 15 LEU  HN     55 TRP  HH2     3.80                
 15 LEU  HA     15 LEU  HB2     3.95                
 15 LEU  HA     15 LEU  HB3     3.26                
 15 LEU  HA     15 LEU  HG      4.13                
 15 LEU  HA     15 LEU  QQD     5.76                
 15 LEU  HA     16 PRO  HD2     2.83                
 15 LEU  HA     16 PRO  HD3     2.58                
 15 LEU  HB2    15 LEU  HG      3.44                
 15 LEU  HB2    15 LEU  QD1     4.22                
 15 LEU  HB2    16 PRO  HG2     5.57 
 15 LEU  HB2    55 TRP  HZ3     4.42              
 15 LEU  HB3    15 LEU  HG      3.70                
 15 LEU  HB3    15 LEU  QD1     6.38                
 15 LEU  HB3    41 THR  HB      6.00                
 15 LEU  HB3    41 THR  QG2     5.26                
 15 LEU  HG     15 LEU  QD1     4.65                
 15 LEU  HG     15 LEU  QQD     6.48                
 15 LEU  HG     16 PRO  HD2     5.68                
 15 LEU  HG     16 PRO  HD3     6.00                
 15 LEU  HG     20 ILE  QD1     4.69                
 15 LEU  HG     47 VAL  QG2     3.97                
 15 LEU  HG     55 TRP  HZ3     3.48                
 15 LEU  HG     55 TRP  HH2     6.00                
 15 LEU  QD1    20 ILE  QD1     6.29                
 15 LEU  QD1    39 PHE  HB2     5.01                
 15 LEU  QD1    39 PHE  HB3     5.23                
 15 LEU  QD1    41 THR  HB      7.03                
 15 LEU  QD1    55 TRP  HH2     4.72                
 15 LEU  QQD    16 PRO  HG3     7.45                
 15 LEU  QQD    16 PRO  HD2     6.48                
 15 LEU  QQD    16 PRO  HD3     7.23                
 15 LEU  QQD    17 SER  QB      9.01                
 15 LEU  QQD    20 ILE  HG12    6.69                
 15 LEU  QQD    39 PHE  HB2     8.13                
 15 LEU  QQD    41 THR  HB      8.13                
 16 PRO  HA     16 PRO  HB2     2.90                
 16 PRO  HA     16 PRO  HB3     2.72                
 16 PRO  HA     16 PRO  HG2     2.69                
 16 PRO  HA     16 PRO  HG3     2.69                
 16 PRO  HA     17 SER  HN      2.44                
 16 PRO  HB2    16 PRO  HB3     2.40                
 16 PRO  HB2    16 PRO  HD2     4.67                
 16 PRO  HB2    16 PRO  HD3     5.03                
 16 PRO  HB2    17 SER  HN      3.59                
 16 PRO  HB3    16 PRO  HG2     3.70                
 16 PRO  HB3    16 PRO  HG3     5.21                
 16 PRO  HB3    16 PRO  HD2     5.57                
 16 PRO  HB3    16 PRO  HD3     4.96                
 16 PRO  HB3    17 SER  HN      3.52                
 16 PRO  HG2    16 PRO  HD2     3.62                
 16 PRO  HG2    16 PRO  HD3     3.16                
 16 PRO  HG2    19 ALA  QB      7.03                
 16 PRO  HG3    16 PRO  HD2     3.41                
 16 PRO  HG3    16 PRO  HD3     3.73                
 16 PRO  HD2    16 PRO  HD3     2.40                
 16 PRO  HD2    18 ARG+ QB      6.88                
 16 PRO  HD2    19 ALA  QB      4.62                
 16 PRO  HD2    41 THR  QG2     7.03                
 16 PRO  HD3    19 ALA  QB      5.34                
 17 SER  HN     17 SER  QB      3.71                
 17 SER  HN     18 ARG+ HN      3.08                
 17 SER  HA     17 SER  QB      4.68                
 17 SER  HA     18 ARG+ HN      3.88                
 17 SER  QB     18 ARG+ HN      4.21                
 17 SER  QB     18 ARG+ QG      7.75                
 17 SER  QB     20 ILE  HN      5.11                
 17 SER  QB     20 ILE  HB      5.15                
 17 SER  QB     20 ILE  QG2     7.80                
 17 SER  QB     20 ILE  HG12    5.58                
 17 SER  QB     20 ILE  HG13    5.87                
 17 SER  QB     20 ILE  QD1     5.17                
 17 SER  QB     59 ALA  QB      6.79                
 17 SER  QB     62 LEU  HN      6.88                
 17 SER  QB     62 LEU  QD1     7.90                
 17 SER  QB     62 LEU  QD2     7.36                
 17 SER  QB     62 LEU  QQD     8.32                
 18 ARG+ HN     18 ARG+ HA      2.98                
 18 ARG+ HN     18 ARG+ QB      3.74                
 18 ARG+ HN     18 ARG+ QG      4.46                
 18 ARG+ HN     18 ARG+ QD      6.88                
 18 ARG+ HN     19 ALA  HN      2.98                
 18 ARG+ HA     18 ARG+ QB      3.60                
 18 ARG+ HA     18 ARG+ QG      6.23                
 18 ARG+ HA     19 ALA  HN      3.44                
 18 ARG+ HA     20 ILE  HN      4.70                
 18 ARG+ HB3    19 ALA  HN      3.66                
 18 ARG+ QB     18 ARG+ QG      4.91                
 18 ARG+ QB     18 ARG+ QD      6.17                
 18 ARG+ QG     18 ARG+ QD      4.87                
 18 ARG+ QG     18 ARG+ HE      6.88                
 18 ARG+ QG     19 ALA  HN      6.55                
 18 ARG+ QD     18 ARG+ HE      5.65                
 19 ALA  HN     19 ALA  HA      3.01                
 19 ALA  HN     19 ALA  QB      3.68                
 19 ALA  HN     20 ILE  HN      2.72                
 19 ALA  HA     19 ALA  QB      3.43                
 19 ALA  HA     20 ILE  HN      3.55                
 19 ALA  HA     42 LYS+ HN      4.42                
 19 ALA  QB     20 ILE  HN      4.90                
 19 ALA  QB     20 ILE  QD1     8.06                
 19 ALA  QB     41 THR  HA      5.77                
 19 ALA  QB     41 THR  HB      4.54                
 19 ALA  QB     41 THR  QG2     7.30                
 19 ALA  QB     42 LYS+ QB      7.90                
 20 ILE  HN     20 ILE  HB      2.69                
 20 ILE  HN     20 ILE  QG2     5.05                
 20 ILE  HN     20 ILE  HG13    2.90                
 20 ILE  HN     20 ILE  QD1     5.16                
 20 ILE  HA     20 ILE  HB      3.59                
 20 ILE  HA     20 ILE  QG2     4.18                
 20 ILE  HA     20 ILE  HG12    3.55                
 20 ILE  HA     20 ILE  HG13    3.98                
 20 ILE  HA     20 ILE  QD1     6.67                
 20 ILE  HA     21 VAL  HN      2.47                
 20 ILE  HA     21 VAL  QG1     6.06                
 20 ILE  HA     41 THR  HA      2.69                
 20 ILE  HA     41 THR  HB      6.00                
 20 ILE  HA     42 LYS+ HN      4.96                
 20 ILE  HB     20 ILE  QG2     3.61                
 20 ILE  HB     20 ILE  HG12    3.62                
 20 ILE  HB     20 ILE  QD1     3.97                
 20 ILE  HB     21 VAL  HN      4.49                
 20 ILE  QG2    20 ILE  HG12    5.01                
 20 ILE  QG2    20 ILE  HG13    5.23                
 20 ILE  QG2    20 ILE  QD1     5.64                
 20 ILE  QG2    21 VAL  HN      4.00                
 20 ILE  QG2    21 VAL  HA      5.88                
 20 ILE  QG2    22 GLY  HN      3.86                
 20 ILE  QG2    23 PHE  HB3     4.54                
 20 ILE  QG2    39 PHE  HN      7.03                
 20 ILE  QG2    39 PHE  HA      6.96                
 20 ILE  QG2    39 PHE  HB2     6.45                
 20 ILE  QG2    39 PHE  QD      6.09                
 20 ILE  QG2    39 PHE  QE      6.63                
 20 ILE  QG2    40 HIS+ HN      5.44                
 20 ILE  QG2    41 THR  HA      6.06                
 20 ILE  HG12   20 ILE  HG13    2.40                
 20 ILE  HG12   20 ILE  QD1     3.72                
 20 ILE  HG12   37 ILE  QG2     5.59                
 20 ILE  HG12   39 PHE  HB3     4.60                
 20 ILE  HG12   41 THR  QG2     6.16                
 20 ILE  HG13   20 ILE  QD1     3.68                
 20 ILE  HG13   23 PHE  QD      8.12                
 20 ILE  HG13   39 PHE  HB3     3.52                
 20 ILE  HG13   59 ALA  QB      4.29                
 20 ILE  QD1    39 PHE  HB3     5.73                
 20 ILE  QD1    39 PHE  QD      7.75                
 20 ILE  QD1    39 PHE  QE      8.50                
 20 ILE  QD1    47 VAL  QG1     8.06                
 20 ILE  QD1    47 VAL  QG2     7.19                
 20 ILE  QD1    55 TRP  HE3     7.03                
 20 ILE  QD1    55 TRP  HZ3     4.58                
 20 ILE  QD1    59 ALA  QB      6.11                
 21 VAL  HN     21 VAL  HA      3.37                
 21 VAL  HN     21 VAL  HB      3.44                
 21 VAL  HN     21 VAL  QG1     4.04                
 21 VAL  HN     21 VAL  QG2     4.80                
 21 VAL  HN     22 GLY  HN      2.58                
 21 VAL  HN     41 THR  HA      2.94                
 21 VAL  HN     41 THR  HB      6.00                
 21 VAL  HN     41 THR  QG2     6.56                
 21 VAL  HA     21 VAL  HB      2.80                
 21 VAL  HA     21 VAL  QG1     4.51                
 21 VAL  HA     21 VAL  QG2     4.11                
 21 VAL  HA     22 GLY  HN      3.55                
 21 VAL  HB     21 VAL  QG1     3.97                
 21 VAL  HB     21 VAL  QG2     4.04                
 21 VAL  HB     22 GLY  HN      3.52                
 21 VAL  HB     41 THR  HA      6.00                
 21 VAL  QG1    21 VAL  QG2     5.79                
 21 VAL  QG1    22 GLY  HN      4.90                
 21 VAL  QG1    40 HIS+ HB2     4.69                
 21 VAL  QG1    40 HIS+ HB3     5.19                
 21 VAL  QG1    40 HIS+ HD2     6.42                
 21 VAL  QG1    41 THR  HA      4.44                
 21 VAL  QG1    41 THR  HB      6.70                
 21 VAL  QG1    42 LYS+ HN      4.72                
 21 VAL  QG1    42 LYS+ HA      4.58                
 21 VAL  QG2    22 GLY  HN      4.98                
 21 VAL  QG2    23 PHE  QD      8.83                
 21 VAL  QG2    40 HIS+ HB3     7.03                
 21 VAL  QG2    41 THR  HA      6.31                
 21 VAL  QG2    42 LYS+ HN      6.02                
 21 VAL  QG2    42 LYS+ HA      4.88                
 21 VAL  QG2    42 LYS+ QG      7.22                
 22 GLY  N      40 HIS+ O       3.30                
 22 GLY  HN     22 GLY  HA1     3.05                
 22 GLY  HN     22 GLY  HA2     2.76                
 22 GLY  HN     40 HIS+ HN      3.34                
 22 GLY  HN     40 HIS+ HB2     4.24                
 22 GLY  HN     40 HIS+ HB3     5.21                
 22 GLY  HN     40 HIS+ O       2.30                
 22 GLY  HN     41 THR  HA      4.42                
 22 GLY  HA1    40 HIS+ HD2     6.00                
 22 GLY  QA     23 PHE  HN      3.85                
 22 GLY  QA     23 PHE  QD      9.00                
 22 GLY  QA     40 HIS+ HD2     6.12                
 22 GLY  QA     63 LEU  QD2     7.80                
 22 GLY  O      40 HIS+ N       3.30                
 22 GLY  O      40 HIS+ HN      2.30                
 23 PHE  HN     23 PHE  HA      3.16                
 23 PHE  HN     23 PHE  HB2     4.27                
 23 PHE  HN     23 PHE  HB3     3.52                
 23 PHE  HN     23 PHE  QD      6.03                
 23 PHE  HN     40 HIS+ HD2     4.63                
 23 PHE  HA     23 PHE  HB2     2.83                
 23 PHE  HA     23 PHE  HB3     2.80                
 23 PHE  HA     23 PHE  QD      7.15                
 23 PHE  HA     24 THR  HN      2.65                
 23 PHE  HA     37 ILE  QG2     6.31                
 23 PHE  HA     39 PHE  HA      2.90                
 23 PHE  HA     39 PHE  QD      6.97                
 23 PHE  HA     40 HIS+ HN      3.34                
 23 PHE  HA     40 HIS+ HD2     3.98                
 23 PHE  HB2    23 PHE  HB3     2.40                
 23 PHE  HB2    23 PHE  QD      5.46                
 23 PHE  HB2    24 THR  HN      2.98                
 23 PHE  HB2    37 ILE  QG2     4.22                
 23 PHE  HB2    39 PHE  HA      5.06                
 23 PHE  HB2    39 PHE  QD      6.25                
 23 PHE  HB2    39 PHE  QE      7.26                
 23 PHE  HB2    60 VAL  HA      6.00                
 23 PHE  HB2    63 LEU  HB3     6.00                
 23 PHE  HB2    63 LEU  QD2     7.03                
 23 PHE  HB3    23 PHE  QD      5.64                
 23 PHE  HB3    24 THR  HN      3.37                
 23 PHE  HB3    37 ILE  QG2     4.90                
 23 PHE  HB3    39 PHE  QE      6.72                
 23 PHE  HB3    40 HIS+ HN      4.92                
 23 PHE  HB3    59 ALA  QB      4.83                
 23 PHE  HB3    60 VAL  QG1     6.92                
 23 PHE  HB3    63 LEU  QD1     5.73                
 23 PHE  QD     23 PHE  QE      7.58                
 23 PHE  QD     23 PHE  HZ      6.57                
 23 PHE  QD     37 ILE  QG2     6.59                
 23 PHE  QD     37 ILE  QD1     7.42                
 23 PHE  QD     60 VAL  HA      7.01                
 23 PHE  QD     60 VAL  QG1     7.71                
 23 PHE  QD     60 VAL  QQG     8.80                
 23 PHE  QD     63 LEU  HB3     6.36                
 23 PHE  QD     63 LEU  HG      6.50                
 23 PHE  QD     63 LEU  QD1     9.15                
 23 PHE  QD     63 LEU  QD2     6.52                
 23 PHE  QE     23 PHE  HZ      4.77                
 23 PHE  QE     37 ILE  QG2     9.08                
 23 PHE  QE     37 ILE  QD1     8.39                
 23 PHE  QE     60 VAL  HA      7.01                
 23 PHE  QE     60 VAL  QG2     7.39                
 23 PHE  QE     63 LEU  HN      8.12                
 23 PHE  QE     63 LEU  HB3     6.86                
 23 PHE  QE     63 LEU  HG      6.39                
 23 PHE  QE     63 LEU  QD2     9.11                
 23 PHE  HZ     60 VAL  QG2     4.62                
 23 PHE  HZ     62 LEU  QD2     5.37
 23 PHE  HZ     63 LEU  HG      5.24                
 23 PHE  HD2    24 THR  HA      4.27                
 24 THR  N      38 ILE  O       3.30                
 24 THR  HN     24 THR  HA      3.41                
 24 THR  HN     24 THR  HB      3.37                
 24 THR  HN     24 THR  QG2     4.80            
 24 THR  HN     37 ILE  QG2     6.45                
 24 THR  HN     38 ILE  HN      3.48                
 24 THR  HN     38 ILE  HB      3.77                
 24 THR  HN     38 ILE  O       2.10                
 24 THR  HN     39 PHE  HA      5.00                
 24 THR  HN     39 PHE  QE      8.12                
 24 THR  HN     40 HIS+ HD2     6.00                
 24 THR  HA     24 THR  HB      3.08                
 24 THR  HA     25 ARG+ HN      2.58           
 24 THR  HB     24 THR  QG2     3.93                
 24 THR  HB     25 ARG+ HN      3.19                
 24 THR  HB     38 ILE  HB      3.80                
 24 THR  HB     38 ILE  QG2     5.88                
 24 THR  HB     38 ILE  QD1     5.66                
 24 THR  QG2    25 ARG+ HN      4.47                
 24 THR  QG2    38 ILE  HB      5.16                
 24 THR  QG2    38 ILE  QG2     8.06                
 24 THR  QG2    38 ILE  QD1     6.72                
 24 THR  QG2    40 HIS+ HD2     7.03                
 24 THR  QG2    40 HIS+ HE1     7.03                
 24 THR  O      38 ILE  N       3.10                
 24 THR  O      38 ILE  HN      2.10                
 25 ARG+ HN     25 ARG+ HA      3.23                
 25 ARG+ HA     26 GLN  HN      2.44                
 25 ARG+ HA     37 ILE  QD1     4.62                
 25 ARG+ HA     38 ILE  HN      3.62                
 25 ARG+ HA     38 ILE  HB      6.00                
 25 ARG+ HA     38 ILE  QG2     6.85                
 25 ARG+ HB2    25 ARG+ QG      3.28                
 25 ARG+ HB2    25 ARG+ QD      4.97                
 25 ARG+ HB2    25 ARG+ HE      5.71                
 25 ARG+ HB2    37 ILE  HA      6.00                
 25 ARG+ HB2    37 ILE  QD1     5.55                
 25 ARG+ HB2    60 VAL  QG1     6.34                
 25 ARG+ QG     25 ARG+ QD      6.67                
 25 ARG+ QG     25 ARG+ HE      5.98                
 25 ARG+ QG     37 ILE  HG12    6.88                
 25 ARG+ QG     37 ILE  QD1     6.10                
 25 ARG+ QG     38 ILE  QD1     7.90                
 25 ARG+ QG     51 PRO  HB3     6.88                
 25 ARG+ QG     67 VAL  HN      6.88                
 25 ARG+ QD     25 ARG+ HE      4.32                
 25 ARG+ HE     67 VAL  QG2     7.03                
 26 GLN  N      36 ALA  O       3.30                
 26 GLN  HN     26 GLN  HB2     3.08                
 26 GLN  HN     36 ALA  QB      6.70                
 26 GLN  HN     36 ALA  O       2.30 
 26 GLN  HN     36 ALA  HN      3.26               
 26 GLN  HN     37 ILE  HA      4.88                
 26 GLN  HN     37 ILE  QD1     6.56                
 26 GLN  HA     26 GLN  HB2     4.92                
 26 GLN  HA     26 GLN  HB3     3.80                
 26 GLN  HA     26 GLN  HG2     5.32                
 26 GLN  HA     26 GLN  HG3     4.63                
 26 GLN  HA     27 MET  HN      2.47                
 26 GLN  HA     27 MET  QE      6.09                
 26 GLN  HA     36 ALA  QB      7.03                
 26 GLN  HA     38 ILE  HB      6.00                
 26 GLN  HB2    36 ALA  HN      3.44                
 26 GLN  HB2    36 ALA  QB      4.54                
 26 GLN  HB2    38 ILE  QD1     5.70                
 26 GLN  HB3    26 GLN  HE21    3.62                
 26 GLN  HB3    36 ALA  HN      5.35                
 26 GLN  HB3    36 ALA  QB      4.04                
 26 GLN  HB3    38 ILE  QD1     4.62                
 26 GLN  HG2    26 GLN  HG3     2.54                
 26 GLN  HG2    26 GLN  HE21    3.48                
 26 GLN  HG2    26 GLN  HE22    4.27                
 26 GLN  HG2    27 MET  HN      4.24                
 26 GLN  HG2    36 ALA  HN      6.00                
 26 GLN  HG2    38 ILE  HN      6.00                
 26 GLN  HG3    26 GLN  HE21    4.20                
 26 GLN  HG3    27 MET  HN      3.98                
 26 GLN  HG3    27 MET  HB2     6.00                
 26 GLN  HE21   26 GLN  HE22    2.54                
 26 GLN  HE21   32 CYSS HB2     4.92                
 26 GLN  HE21   32 CYSS HB3     6.00                
 26 GLN  HE21   34 ILE  HN      6.00                
 26 GLN  HE21   34 ILE  HB      6.00                
 26 GLN  HE21   36 ALA  HN      6.00                
 26 GLN  HE21   36 ALA  QB      4.40                
 26 GLN  HE22   27 MET  HN      6.00                
 26 GLN  HE22   35 ASN  HN      6.00                
 26 GLN  HE22   36 ALA  QB      7.03                
 26 GLN  O      36 ALA  N       3.30                
 26 GLN  O      36 ALA  HN      2.30                
 27 MET  HN     27 MET  HA      3.48                
 27 MET  HN     27 MET  HB3     3.41                
 27 MET  HN     27 MET  HG2     6.00                
 27 MET  HN     27 MET  HG3     4.31                
 27 MET  HN     28 ALA  HN      4.63                
 27 MET  HA     27 MET  HB2     3.44                
 27 MET  HA     27 MET  HB3     2.90                
 27 MET  HA     27 MET  HG2     4.88                
 27 MET  HA     27 MET  HG3     4.85                
 27 MET  HA     27 MET  QE      7.03                
 27 MET  HA     28 ALA  QB      6.34                
 27 MET  HA     35 ASN  HA      3.66                
 27 MET  HA     36 ALA  HN      5.00                
 27 MET  HB2    27 MET  HB3     2.40                
 27 MET  HB2    27 MET  HG3     3.95                
 27 MET  HB2    28 ALA  HN      3.48                
 27 MET  HB3    27 MET  HG3     3.37                
 27 MET  HB3    28 ALA  HN      3.26                
 27 MET  HG2    27 MET  HG3     2.40                
 27 MET  HG2    27 MET  QE      5.62                
 27 MET  HG3    27 MET  QE      6.20                
 28 ALA  HN     28 ALA  HA      3.23                
 28 ALA  HN     28 ALA  QB      3.75                
 28 ALA  HN     29 ASP- HN      4.27                
 28 ALA  HN     34 ILE  HA      5.71                
 28 ALA  HA     28 ALA  QB      3.57                
 28 ALA  HA     29 ASP- HN      2.47                
 28 ALA  HA     33 ASP- HA      3.59                
 28 ALA  HA     34 ILE  HN      3.34                
 28 ALA  QB     29 ASP- HN      4.54                
 28 ALA  QB     29 ASP- HA      5.52                
 28 ALA  QB     33 ASP- HA      4.26 
 28 ALA  QB     35 ASN  HA      5.48               
 28 ALA  QB     35 ASN  HD21    7.03                
 28 ALA  QB     35 ASN  HD22    6.78                
 29 ASP- HN     29 ASP- HA      3.37                
 29 ASP- HN     29 ASP- HB3     4.70                
 29 ASP- HN     32 CYSS HN      3.73                
 29 ASP- HN     32 CYSS HB3     3.48                
 29 ASP- HN     33 ASP- HA      2.98                
 29 ASP- HN     33 ASP- HB3     4.74                
 29 ASP- HA     29 ASP- HB2     2.58                
 29 ASP- HA     29 ASP- HB3     2.87                
 29 ASP- HA     30 GLU- HN      3.50             
 29 ASP- HB2    29 ASP- HB3     2.65                
 29 ASP- HB2    30 GLU- HN      3.12                
 29 ASP- HB3    30 GLU- HN      2.76                
 30 GLU- HN     30 GLU- QB      3.78                
 30 GLU- HN     30 GLU- QG      5.76                
 30 GLU- HA     30 GLU- QB      3.78                
 30 GLU- HA     30 GLU- QG      5.58                
 30 GLU- HA     31 ALA  HN      3.05                
 30 GLU- QB     30 GLU- QG      6.42                
 30 GLU- QB     38 ILE  QD1     7.90 
 30 GLU- QB     31 ALA  HN      4.14               
 30 GLU- QG     31 ALA  HA      6.88                
 31 ALA  HN     31 ALA  HA      2.65                
 31 ALA  HN     31 ALA  QB      3.72                
 31 ALA  HN     32 CYSS HN      3.30                
 31 ALA  HA     31 ALA  QB      3.50                
 31 ALA  HA     32 CYSS HN      3.44                
 31 ALA  QB     32 CYSS HN      4.47                
 32 CYSS HN     32 CYSS HA      3.16                
 32 CYSS HN     32 CYSS HB2     3.08                
 32 CYSS HN     32 CYSS HB3     3.23                
 32 CYSS HA     32 CYSS HB2     3.01                
 32 CYSS HA     32 CYSS HB3     2.69                
 32 CYSS HA     33 ASP- HN      2.69                
 32 CYSS HA     34 ILE  HN      3.59                
 32 CYSS HB2    32 CYSS HB3     2.40                
 32 CYSS HB2    34 ILE  HN      4.02                
 32 CYSS HB2    38 ILE  QD1     7.03                
 32 CYSS HB3    33 ASP- HN      4.45                
 33 ASP- HN     33 ASP- HA      3.55                
 33 ASP- HN     33 ASP- HB2     2.72                
 33 ASP- HN     33 ASP- HB3     2.69                
 33 ASP- HN     34 ILE  HN      3.26                
 33 ASP- HA     33 ASP- HB2     3.08                
 33 ASP- HA     33 ASP- HB3     2.80                
 34 ILE  HN     34 ILE  HA      3.30                
 34 ILE  HN     34 ILE  QG2     5.08                
 34 ILE  HN     34 ILE  HG12    3.44                
 34 ILE  HN     34 ILE  HG13    4.16                
 34 ILE  HN     34 ILE  QD1     4.58                
 34 ILE  HA     34 ILE  HB      3.01                
 34 ILE  HA     34 ILE  QG2     4.15                
 34 ILE  HA     34 ILE  HG13    3.95                
 34 ILE  HA     34 ILE  QD1     5.23                
 34 ILE  HA     35 ASN  HN      2.54                
 34 ILE  HB     34 ILE  QG2     3.93                
 34 ILE  HB     34 ILE  HG12    3.23                
 34 ILE  HB     35 ASN  HN      2.83                
 34 ILE  HB     51 PRO  HD2     6.00                
 34 ILE  HB     52 LYS+ QG      6.88                
 34 ILE  QG2    34 ILE  HG12    4.54                
 34 ILE  QG2    34 ILE  QD1     5.82                
 34 ILE  QG2    35 ASN  HN      4.65                
 34 ILE  QG2    36 ALA  QB      8.06                
 34 ILE  HG12   34 ILE  QD1     3.43                
 34 ILE  HG12   35 ASN  HN      4.60                
 34 ILE  HG13   35 ASN  HN      3.37                
 35 ASN  HN     35 ASN  HA      3.34                
 35 ASN  HN     35 ASN  HB3     2.76                
 35 ASN  HN     35 ASN  HD21    5.96                
 35 ASN  HN     35 ASN  HD22    6.00                
 35 ASN  HA     35 ASN  HB3     2.87                
 35 ASN  HA     36 ALA  HN      2.69                
 35 ASN  HB3    35 ASN  HD21    3.34                
 35 ASN  HB3    35 ASN  HD22    3.77                
 35 ASN  HB3    36 ALA  HN      3.30                
 35 ASN  HD21   35 ASN  HD22    2.40                
 36 ALA  HN     36 ALA  HA      3.41                
 36 ALA  HN     36 ALA  QB      4.72                
 36 ALA  HN     37 ILE  QD1     7.03                
 36 ALA  HA     36 ALA  QB      3.97                
 36 ALA  HA     37 ILE  HN      2.72                
 36 ALA  HA     50 ASP- HA      4.06                
 36 ALA  HA     51 PRO  HG2     3.23                
 36 ALA  HA     51 PRO  HD2     4.09                
 36 ALA  HA     51 PRO  HD3     3.08                
 36 ALA  HA     56 VAL  QG2     7.03                
 36 ALA  QB     37 ILE  HN      4.00                
 36 ALA  QB     38 ILE  QD1     8.06                
 36 ALA  QB     48 CYSS HB2     5.95                
 36 ALA  QB     49 ALA  HN      5.37                
 36 ALA  QB     51 PRO  HD3     7.03                
 36 ALA  QB     56 VAL  QG2     8.06                
 37 ILE  N      49 ALA  O       3.30                
 37 ILE  HN     37 ILE  HA      3.30                
 37 ILE  HN     37 ILE  HB      2.80                
 37 ILE  HN     37 ILE  QG2     6.96                
 37 ILE  HN     37 ILE  HG12    4.56                
 37 ILE  HN     37 ILE  HG13    5.78                
 37 ILE  HN     37 ILE  QD1     6.92                
 37 ILE  HN     49 ALA  HN      3.55                
 37 ILE  HN     49 ALA  O       2.30                
 37 ILE  HN     51 PRO  HD3     6.00                
 37 ILE  HA     37 ILE  QG2     4.15                
 37 ILE  HA     37 ILE  HG12    4.34                
 37 ILE  HA     37 ILE  QD1     3.93                
 37 ILE  HA     38 ILE  HN      2.54                
 37 ILE  HA     56 VAL  QG2     4.33                
 37 ILE  HB     37 ILE  QG2     3.79                
 37 ILE  HB     37 ILE  HG12    3.59                
 37 ILE  HB     37 ILE  HG13    2.40                
 37 ILE  HB     37 ILE  QD1     5.70                
 37 ILE  HB     49 ALA  QB      6.45                
 37 ILE  HB     56 VAL  QG1     7.03                
 37 ILE  HB     56 VAL  QG2     4.04                
 37 ILE  QG2    37 ILE  HG12    4.98                
 37 ILE  QG2    37 ILE  HG13    4.04                
 37 ILE  QG2    37 ILE  QD1     5.57                
 37 ILE  QG2    38 ILE  HN      4.29                
 37 ILE  QG2    38 ILE  HB      6.34                
 37 ILE  QG2    39 PHE  HN      7.03                
 37 ILE  QG2    39 PHE  HA      7.03                
 37 ILE  QG2    39 PHE  QD      7.67                
 37 ILE  QG2    39 PHE  QE      7.42                
 37 ILE  QG2    39 PHE  HZ      5.30                
 37 ILE  QG2    47 VAL  QG1     8.06                
 37 ILE  QG2    49 ALA  QB      7.41                
 37 ILE  QG2    56 VAL  QG2     5.39                
 37 ILE  QG2    59 ALA  QB      8.06                
 37 ILE  HG12   37 ILE  HG13    2.40                
 37 ILE  HG12   37 ILE  QD1     4.08                
 37 ILE  HG12   51 PRO  HA      3.88                
 37 ILE  HG12   51 PRO  HB3     4.42                
 37 ILE  HG12   56 VAL  HB      4.63                
 37 ILE  HG12   56 VAL  QG2     3.43                
 37 ILE  HG13   37 ILE  QD1     3.90                
 37 ILE  HG13   39 PHE  QD      6.21                
 37 ILE  HG13   39 PHE  QE      7.40 
 37 ILE  HG13   51 PRO  HA      3.77       
 37 ILE  HG13   56 VAL  QG1     5.52                
 37 ILE  HG13   56 VAL  QG2     3.64                
 37 ILE  HG13   60 VAL  HB      6.00                
 37 ILE  QD1    38 ILE  HN      5.98                
 37 ILE  QD1    50 ASP- HB3     7.03                
 37 ILE  QD1    51 PRO  HA      5.44                
 37 ILE  QD1    51 PRO  HB2     6.09                
 37 ILE  QD1    51 PRO  HB3     5.37                
 37 ILE  QD1    51 PRO  HG2     7.03                
 37 ILE  QD1    56 VAL  QG2     5.79                
 37 ILE  QD1    57 LYS+ QB      7.90                
 37 ILE  QD1    60 VAL  HB      6.88                
 37 ILE  O      49 ALA  N       3.30                
 37 ILE  O      49 ALA  HN      2.10                
 38 ILE  HN     38 ILE  HA      3.19                
 38 ILE  HN     38 ILE  HB      2.69                
 38 ILE  HN     38 ILE  QG2     6.67                
 38 ILE  HN     38 ILE  HG13    4.02                
 38 ILE  HN     38 ILE  QD1     6.74                
 38 ILE  HA     38 ILE  HB      3.08                
 38 ILE  HA     38 ILE  QG2     4.15                
 38 ILE  HA     38 ILE  HG12    5.14                
 38 ILE  HA     38 ILE  HG13    4.60                
 38 ILE  HA     38 ILE  QD1     5.55  
 38 ILE  HA     39 PHE  HN      2.58         
 38 ILE  HA     39 PHE  HB2     5.57                
 38 ILE  HA     48 CYSS  HA     2.90               
 38 ILE  HA     49 ALA  HN      5.00                
 38 ILE  HB     38 ILE  QG2     3.90                
 38 ILE  HB     38 ILE  HG12    5.32                
 38 ILE  HB     38 ILE  HG13    3.05                
 38 ILE  HB     38 ILE  QD1     4.33                
 38 ILE  QG2    38 ILE  HG12    4.40                
 38 ILE  QG2    38 ILE  HG13    5.12                
 38 ILE  QG2    38 ILE  QD1     6.40  
 38 ILE  QG2    39 PHE  HN      4.58             
 38 ILE  QG2    40 HIS+ HD2     7.03                
 38 ILE  QG2    40 HIS+ HE1     4.76                
 38 ILE  QG2    46 SER  HB2     4.26   
 38 ILE  QG2    46 SER  HB3     4.69    
 38 ILE  QG2    47 VAL  HN      4.69                
 38 ILE  HG12   38 ILE  HG13    2.40                
 38 ILE  HG12   38 ILE  QD1     3.43                
 38 ILE  HG13   38 ILE  QD1     4.00                
 39 PHE  N      47 VAL  O       3.30                
 39 PHE  HN     39 PHE  HA      3.62                
 39 PHE  HN     39 PHE  HB2     3.01                
 39 PHE  HN     39 PHE  QD      6.72                
 39 PHE  HN     47 VAL  HN      3.26                
 39 PHE  HN     47 VAL  HB      4.99                
 39 PHE  HN     47 VAL  QG1     7.03                
 39 PHE  HN     47 VAL  O       2.30                
 39 PHE  HN     48 CYSS HA      5.00                
 39 PHE  HA     39 PHE  HB2     3.77                
 39 PHE  HA     39 PHE  HB3     2.80                
 39 PHE  HA     39 PHE  HD1     2.65                
 39 PHE  HA     40 HIS+ HN      2.65                
 39 PHE  HA     40 HIS+ HD2     6.00                
 39 PHE  HB2    39 PHE  HB3     2.40                
 39 PHE  HB2    39 PHE  QD      5.64                
 39 PHE  HB2    40 HIS+ HN      4.13                
 39 PHE  HB2    41 THR  QG2     5.70                
 39 PHE  HB2    47 VAL  HB      3.70                
 39 PHE  HB2    47 VAL  QG1     5.62                
 39 PHE  HB2    47 VAL  QG2     7.03                
 39 PHE  HB3    39 PHE  QD      5.13                
 39 PHE  HB3    40 HIS+ HN      3.01                
 39 PHE  HB3    41 THR  QG2     5.66                
 39 PHE  HB3    47 VAL  HB      4.70                
 39 PHE  HB3    47 VAL  QG1     4.62                
 39 PHE  QD     39 PHE  QE      7.47                
 39 PHE  QD     41 THR  HB      8.12                
 39 PHE  QD     47 VAL  QG1     5.98                
 39 PHE  QD     47 VAL  QG2     7.75                
 39 PHE  QD     56 VAL  QG1     7.85                
 39 PHE  QD     56 VAL  QG2     7.89                
 39 PHE  QE     39 PHE  HZ      5.06                
 39 PHE  QE     47 VAL  QG1     7.06                
 39 PHE  QE     47 VAL  QG2     9.15                
 39 PHE  QE     55 TRP  HE3     8.12                
 39 PHE  QE     56 VAL  QG1     6.63                
 39 PHE  QE     56 VAL  QG2     6.20                
 39 PHE  QE     59 ALA  QB      6.99                
 39 PHE  HD1    40 HIS+ HN      3.95                
 39 PHE  HD1    40 HIS+ HD2     6.00                
 39 PHE  HE1    60 VAL  HN      5.35                
 39 PHE  HE1    60 VAL  HA      5.78                
 39 PHE  HZ     55 TRP  HH2     6.00                
 39 PHE  HZ     56 VAL  HA      3.05                
 39 PHE  HZ     56 VAL  QG1     5.41                
 39 PHE  HZ     56 VAL  QG2     3.61                
 39 PHE  HZ     59 ALA  HN      3.66                
 39 PHE  HZ     59 ALA  QB      3.86                
 39 PHE  HE2    49 ALA  QB      3.64                
 39 PHE  HE2    55 TRP  HZ3     3.30                
 39 PHE  HE2    55 TRP  HH2     3.44                
 39 PHE  HE2    56 VAL  HA      3.59                
 39 PHE  HD2    47 VAL  HB      4.24                
 39 PHE  HD2    49 ALA  QB      4.00                
 39 PHE  HD2    55 TRP  HZ3     6.00                
 39 PHE  HD2    55 TRP  HH2     3.55                
 39 PHE  O      47 VAL  N       3.30                
 39 PHE  O      47 VAL  HN      2.10                
 40 HIS+ HN     40 HIS+ HA      3.37                
 40 HIS+ HN     40 HIS+ HB3     3.62                
 40 HIS+ HN     40 HIS+ HD2     5.68                
 40 HIS+ HA     40 HIS+ HB2     3.19                
 40 HIS+ HA     40 HIS+ HB3     2.90                
 40 HIS+ HA     40 HIS+ HD2     4.99                
 40 HIS+ HA     46 SER  HA      4.00                
 40 HIS+ HA     45 LYS+ HA      4.49            
 40 HIS+ HA     47 VAL  HN      5.00                
 40 HIS+ HB2    40 HIS+ HB3     2.40                
 40 HIS+ HB2    40 HIS+ HD2     4.06                
 40 HIS+ HB2    41 THR  HN      4.00            
 40 HIS+ HB3    40 HIS+ HD2     4.92                
 40 HIS+ HB3    41 THR  HN      4.85                
 40 HIS+ HE1    46 SER  HA      4.60                
 41 THR  HN     41 THR  HA      3.00            
 41 THR  HN     41 THR  HB      4.99                
 41 THR  HA     41 THR  HB      2.40                
 41 THR  HA     41 THR  QG2     3.72                
 41 THR  HA     42 LYS+ HN      2.72                
 41 THR  HA     44 ARG+ HN      5.03                
 41 THR  HB     41 THR  QG2     3.46                
 41 THR  HB     42 LYS+ HN      2.62                
 41 THR  HB     43 LYS+ HN      3.12                
 41 THR  QG2    42 LYS+ HN      4.33                
 41 THR  QG2    44 ARG+ HB3     7.03                
 42 LYS+ HN     42 LYS+ HA      3.08                
 42 LYS+ HN     42 LYS+ QB      3.60                
 42 LYS+ HN     42 LYS+ QG      6.88                
 42 LYS+ HN     42 LYS+ QD      4.82                
 42 LYS+ HN     43 LYS+ HN      3.12                
 42 LYS+ HA     42 LYS+ QB      3.82                
 42 LYS+ HA     42 LYS+ QG      4.97                
 42 LYS+ HA     42 LYS+ QD      6.88                
 42 LYS+ HA     43 LYS+ HN      3.59                
 42 LYS+ HA     44 ARG+ HN      4.31                
 42 LYS+ QB     42 LYS+ QG      7.75                
 42 LYS+ QB     43 LYS+ HN      4.93                
 43 LYS+ HN     43 LYS+ HA      3.05                
 43 LYS+ HN     43 LYS+ HB2     2.76                
 43 LYS+ HN     43 LYS+ HB3     3.23                
 43 LYS+ HN     43 LYS+ QD      5.51                
 43 LYS+ HN     44 ARG+ HN      4.74                
 43 LYS+ HA     44 ARG+ HN      3.55                
 43 LYS+ HB2    43 LYS+ HB3     2.40                
 43 LYS+ HB2    44 ARG+ HN      5.64                
 44 ARG+ HN     44 ARG+ HB2     3.23                
 44 ARG+ HN     44 ARG+ QG      5.04                
 44 ARG+ HN     44 ARG+ QD      6.88                
 44 ARG+ HN     45 LYS+ HN      4.00             
 44 ARG+ HA     45 LYS+ HN      2.54                
 44 ARG+ HB2    44 ARG+ QG      5.54                
 44 ARG+ HB2    44 ARG+ QD      5.87                
 44 ARG+ HB3    44 ARG+ QG      6.26                
 44 ARG+ HB3    44 ARG+ QD      5.62                
 44 ARG+ HB3    47 VAL  QG1     7.03                
 44 ARG+ QG     44 ARG+ QD      4.98                
 44 ARG+ QD     44 ARG+ HE      4.90                
 44 ARG+ QD     47 VAL  QG1     7.90                
 45 LYS+ HN     45 LYS+ HA      3.59                
 45 LYS+ HN     45 LYS+ QB      4.82                
 45 LYS+ HA     45 LYS+ QB      4.61                
 45 LYS+ HA     45 LYS+ QG      4.75                
 45 LYS+ HA     45 LYS+ QD      6.88                
 45 LYS+ HA     46 SER  HN      2.65                
 45 LYS+ HB3    46 SER  HN      2.98                
 45 LYS+ QB     46 SER  HB3     6.88                
 46 SER  HN     46 SER  HA      3.41                
 46 SER  HN     46 SER  HB2     3.34                
 46 SER  HN     46 SER  HB3     3.08        
 46 SER  HA     46 SER  HB2     2.90                
 46 SER  HA     46 SER  HB3     3.19                
 46 SER  HA     47 VAL  HN      2.58                
 46 SER  HA     47 VAL  HA      5.60                
 46 SER  HB2    47 VAL  HN      4.13                
 47 VAL  HN     47 VAL  HA      3.23                
 47 VAL  HN     47 VAL  HB      2.98                
 47 VAL  HN     47 VAL  QG1     4.26                
 47 VAL  HN     47 VAL  QG2     3.72                
 47 VAL  HA     47 VAL  HB      2.94                
 47 VAL  HA     47 VAL  QG1     4.08                
 47 VAL  HA     47 VAL  QG2     4.08 
 47 VAL  HA     48 CYSS HN      2.47        
 47 VAL  HB     47 VAL  QG2     3.97                
 47 VAL  QG1    47 VAL  QG2     6.04                
 47 VAL  QG1    48 CYSS HN      5.98                
 47 VAL  QG2    55 TRP  HZ3     5.80                
 48 CYSS HN     48 CYSS HA      3.41                
 48 CYSS HA     48 CYSS HB2     3.05                
 48 CYSS HA     48 CYSS HB3     3.55                
 48 CYSS HA     49 ALA  HN      2.62                
 48 CYSS HA     49 ALA  QB      5.62                
 48 CYSS HB2    48 CYSS HB3     2.44                
 48 CYSS HB2    49 ALA  HN      5.68                
 48 CYSS HB3    49 ALA  HN      5.68                
 49 ALA  HN     49 ALA  HA      3.70                
 49 ALA  HN     49 ALA  QB      4.04                
 49 ALA  HA     49 ALA  QB      3.75                
 49 ALA  HA     50 ASP- HN      2.87                
 49 ALA  HA     55 TRP  HZ2     6.00                
 49 ALA  QB     50 ASP- HN      4.58                
 49 ALA  QB     55 TRP  HZ2     3.90                
 49 ALA  QB     55 TRP  HH2     4.29                
 49 ALA  QB     56 VAL  HA      6.42                
 49 ALA  QB     56 VAL  HB      6.85                
 49 ALA  QB     56 VAL  QG1     5.43                
 49 ALA  QB     56 VAL  QG2     6.18                
 50 ASP- HN     50 ASP- HA      3.66                
 50 ASP- HN     50 ASP- HB2     3.08                
 50 ASP- HN     50 ASP- HB3     3.08                
 50 ASP- HN     56 VAL  QG1     5.16                
 50 ASP- HA     50 ASP- HB2     2.72                
 50 ASP- HA     50 ASP- HB3     3.66                
 50 ASP- HA     51 PRO  HD2     3.08                
 50 ASP- HA     51 PRO  HD3     2.83                
 50 ASP- HA     52 LYS+ QD      6.88                
 50 ASP- HB2    50 ASP- HB3     2.47                
 50 ASP- HB3    56 VAL  QG1     6.31                
 51 PRO  HA     51 PRO  HB2     2.83                
 51 PRO  HA     51 PRO  HB3     2.72                
 51 PRO  HA     51 PRO  HG2     5.10                
 51 PRO  HA     52 LYS+ HN      3.37                
 51 PRO  HA     53 GLN  HN      3.59                
 51 PRO  HA     56 VAL  QG1     7.03                
 51 PRO  HA     56 VAL  QG2     3.86                
 51 PRO  HA     57 LYS+ QB      6.88                
 51 PRO  HB2    51 PRO  HB3     2.51                
 51 PRO  HB3    51 PRO  HG2     3.84                
 51 PRO  HB3    51 PRO  HD2     3.98                
 51 PRO  HB3    56 VAL  QG2     6.60                
 51 PRO  HG2    51 PRO  HD2     5.53                
 51 PRO  HG2    51 PRO  HD3     4.13                
 51 PRO  HD2    51 PRO  HD3     2.51                
 51 PRO  HD2    52 LYS+ HN      4.52                
 52 LYS+ HN     52 LYS+ HA      3.01                
 52 LYS+ HN     52 LYS+ HB2     3.73                
 52 LYS+ HN     52 LYS+ QG      4.72                
 52 LYS+ HN     52 LYS+ QD      4.10                
 52 LYS+ HN     53 GLN  HN      2.65                
 52 LYS+ HA     52 LYS+ QB      3.82                
 52 LYS+ HA     52 LYS+ QG      4.18                
 52 LYS+ HA     52 LYS+ QD      4.93                
 52 LYS+ HA     53 GLN  HN      4.38                
 52 LYS+ QG     52 LYS+ QD      5.16                
 52 LYS+ QG     52 LYS+ QE      7.28                
 52 LYS+ QG     53 GLN  HN      6.88                
 52 LYS+ QG     56 VAL  QG1     7.90                
 52 LYS+ QD     52 LYS+ QE      4.80                
 53 GLN  HN     53 GLN  HA      3.12                
 53 GLN  HN     53 GLN  HB3     3.05                
 53 GLN  HN     53 GLN  HG3     3.30                
 53 GLN  HN     54 ASN  HN      5.03                
 53 GLN  HN     56 VAL  QG1     5.01                
 53 GLN  HN     56 VAL  QG2     7.03                
 53 GLN  HA     53 GLN  HB2     3.95                
 53 GLN  HA     53 GLN  HB3     3.12                
 53 GLN  HA     53 GLN  HG3     2.87                
 53 GLN  HA     54 ASN  HN      2.58                
 53 GLN  HB2    53 GLN  HB3     2.40                
 53 GLN  HB2    53 GLN  HG3     3.44                
 53 GLN  HB2    54 ASN  HN      3.55                
 53 GLN  HB2    54 ASN  HA      5.60                
 53 GLN  HB2    55 TRP  HN      5.10                
 53 GLN  HB2    55 TRP  HD1     3.70                
 53 GLN  HB2    56 VAL  HN      3.66                
 53 GLN  HB2    56 VAL  QG1     4.04                
 53 GLN  HB3    54 ASN  HN      3.41                
 53 GLN  HB3    55 TRP  HN      3.70                
 53 GLN  HB3    55 TRP  HD1     3.30                
 53 GLN  HB3    55 TRP  HE1     4.34                
 53 GLN  HB3    56 VAL  HN      4.27                
 53 GLN  HB3    56 VAL  QG1     4.94                
 53 GLN  HB3    57 LYS+ HG3     5.68                
 53 GLN  HG3    53 GLN  HE21    4.56                
 53 GLN  HG3    53 GLN  HE22    4.02                
 53 GLN  HG3    54 ASN  HN      4.13                
 53 GLN  HG3    55 TRP  HD1     4.31                
 53 GLN  HG3    55 TRP  HE1     5.24                
 53 GLN  HG3    56 VAL  QG1     5.98                
 53 GLN  HE21   53 GLN  HE22    2.40                
 53 GLN  HE21   55 TRP  HD1     6.00                
 54 ASN  HN     54 ASN  HA      3.34                
 54 ASN  HN     54 ASN  HB2     3.16
 54 ASN  HN     54 ASN  HB3     2.87             
 54 ASN  HN     54 ASN  HD22    6.00                
 54 ASN  HA     54 ASN  HB2     2.72                
 54 ASN  HA     54 ASN  HB3     2.80                
 54 ASN  HA     57 LYS+ HN      3.95                
 54 ASN  HA     57 LYS+ QB      4.10                
 54 ASN  HA     57 LYS+ QG      6.30                
 54 ASN  HA     58 ARG+ HN      4.02                
 54 ASN  HB2    54 ASN  HB3     2.40                
 54 ASN  HB2    54 ASN  HD22    6.00                
 54 ASN  HB3    54 ASN  HD21    4.13                
 54 ASN  HB3    54 ASN  HD22    4.38                
 54 ASN  HB3    55 TRP  HN      2.87                
 54 ASN  HB3    55 TRP  HA      5.57                
 54 ASN  HB3    57 LYS+ QB      5.40                
 54 ASN  HB3    58 ARG+ QG      6.88                
 54 ASN  HB3    58 ARG+ QD      6.80                
 54 ASN  HD21   54 ASN  HD22    2.40                
 55 TRP  HN     55 TRP  HA      2.98                
 55 TRP  HN     55 TRP  HB3     2.69                
 55 TRP  HN     55 TRP  HD1     3.12                
 55 TRP  HN     56 VAL  HN      3.12                
 55 TRP  HN     56 VAL  QG1     7.03                
 55 TRP  HA     55 TRP  HB2     2.72                
 55 TRP  HA     55 TRP  HB3     2.72                
 55 TRP  HA     55 TRP  HD1     5.96                
 55 TRP  HA     55 TRP  HE3     5.68                
 55 TRP  HA     56 VAL  HN      3.98
 55 TRP  HA     58 ARG+ HN      3.50             
 55 TRP  HA     58 ARG+ QG      5.33                
 55 TRP  HA     59 ALA  QB      7.03                
 55 TRP  HB2    55 TRP  HB3     2.40                
 55 TRP  HB2    55 TRP  HD1     3.34                
 55 TRP  HB2    55 TRP  HE3     3.48                
 55 TRP  HB3    55 TRP  HD1     4.09                
 55 TRP  HD1    55 TRP  HE1     2.76                
 55 TRP  HD1    56 VAL  HN      4.85                
 55 TRP  HD1    56 VAL  HB      6.00                
 55 TRP  HD1    56 VAL  QG1     5.59                
 55 TRP  HE3    55 TRP  HZ3     2.58                
 55 TRP  HE3    55 TRP  HH2     5.39                
 55 TRP  HE3    56 VAL  HA      4.13                
 55 TRP  HE3    56 VAL  QG1     6.02                
 55 TRP  HE3    59 ALA  QB      4.87                
 55 TRP  HE1    55 TRP  HZ2     3.26                
 55 TRP  HE1    55 TRP  HH2     6.00                
 55 TRP  HE1    56 VAL  QG1     5.37                
 55 TRP  HZ3    55 TRP  HZ2     5.06                
 55 TRP  HZ3    55 TRP  HH2     2.65                
 55 TRP  HZ3    56 VAL  QG1     6.38                
 55 TRP  HZ3    59 ALA  QB      6.09                
 55 TRP  HZ2    55 TRP  HH2     2.72                
 55 TRP  HZ2    56 VAL  HN      6.00                
 55 TRP  HZ2    56 VAL  QG1     4.76                
 55 TRP  HH2    56 VAL  QG1     5.44                
 56 VAL  HN     56 VAL  HA      3.23                
 56 VAL  HN     56 VAL  HB      2.58                
 56 VAL  HN     56 VAL  QG1     3.75                
 56 VAL  HN     56 VAL  QG2     5.41                
 56 VAL  HN     57 LYS+ HN      2.87                
 56 VAL  HN     58 ARG+ HN      4.34
 56 VAL  HA     56 VAL  HB      3.00          
 56 VAL  HA     56 VAL  QG1     3.79                
 56 VAL  HA     56 VAL  QG2     3.68
 56 VAL  HA     57 LYS+ HN      3.44            
 56 VAL  HA     58 ARG+ HN      4.99                
 56 VAL  HA     59 ALA  HN      3.84
 56 VAL  HA     59 ALA  QB      3.86             
 56 VAL  HB     56 VAL  QG1     3.50                
 56 VAL  HB     56 VAL  QG2     3.43                
 56 VAL  HB     57 LYS+ HN      2.98                
 56 VAL  QG1    56 VAL  QG2     5.39                
 56 VAL  QG1    57 LYS+ HN      5.59                
 56 VAL  QG1    57 LYS+ QB      7.90                
 56 VAL  QG1    59 ALA  QB      8.06                
 56 VAL  QG2    57 LYS+ HN      4.98                
 56 VAL  QG2    59 ALA  HN      7.03                
 56 VAL  QG2    59 ALA  QB      6.69                
 57 LYS+ HN     57 LYS+ HA      3.16                
 57 LYS+ HN     57 LYS+ QB      4.03                
 57 LYS+ HN     57 LYS+ HG2     3.95                
 57 LYS+ HN     57 LYS+ HG3     3.12                
 57 LYS+ HN     58 ARG+ HN      3.05                
 57 LYS+ HN     59 ALA  QB      6.67                
 57 LYS+ HA     57 LYS+ QB      3.38                
 57 LYS+ HA     57 LYS+ HG2     3.05                
 57 LYS+ HA     57 LYS+ QG      5.33                
 57 LYS+ HA     57 LYS+ QD      5.90                
 57 LYS+ HA     58 ARG+ HN      3.84                
 57 LYS+ HA     60 VAL  HN      3.77
 57 LYS+ HA     60 VAL  HB      2.40             
 57 LYS+ HA     60 VAL  QG2     7.03                
 57 LYS+ HA     60 VAL  QQG     5.82                
 57 LYS+ QB     57 LYS+ QG      6.71                
 57 LYS+ QB     57 LYS+ QD      4.87                
 57 LYS+ QB     57 LYS+ QE      7.75                
 57 LYS+ QB     58 ARG+ HN      3.74                
 57 LYS+ QB     61 ASN  HB2     6.88                
 57 LYS+ HG2    57 LYS+ HG3     2.76                
 57 LYS+ HG2    57 LYS+ QG      3.49                
 57 LYS+ HG2    58 ARG+ HA      6.00                
 57 LYS+ HG2    61 ASN  HB2     5.71                
 57 LYS+ QG     57 LYS+ QE      7.75                
 57 LYS+ QG     58 ARG+ HN      6.08                
 57 LYS+ QG     61 ASN  HB3     6.88                
 57 LYS+ QD     57 LYS+ QE      6.28                
 57 LYS+ QE     58 ARG+ HA      4.93                
 57 LYS+ QE     61 ASN  HD22    6.52                
 58 ARG+ HN     58 ARG+ HA      2.72                
 58 ARG+ HN     58 ARG+ QB      3.49                
 58 ARG+ HN     58 ARG+ QG      6.37                
 58 ARG+ HN     59 ALA  HN      3.05                
 58 ARG+ HN     61 ASN  HB3     4.02                
 58 ARG+ HA     58 ARG+ QB      3.78                
 58 ARG+ HA     58 ARG+ QG      5.58                
 58 ARG+ HA     58 ARG+ QD      6.88                
 58 ARG+ HA     59 ALA  HN      4.02                
 58 ARG+ HA     61 ASN  HN      3.66                
 58 ARG+ HA     61 ASN  HB2     2.83                
 58 ARG+ HA     61 ASN  HB3     2.76
 58 ARG+ HA     62 LEU  HN      4.24             
 58 ARG+ QB     58 ARG+ QD      6.10                
 58 ARG+ QB     59 ALA  HN      4.25                
 58 ARG+ QB     61 ASN  HN      5.83                
 58 ARG+ QD     58 ARG+ HE      4.90                
 58 ARG+ QD     62 LEU  QD1     7.90                
 58 ARG+ QD     62 LEU  QQD     9.01                
 59 ALA  HN     59 ALA  HA      2.98                
 59 ALA  HN     59 ALA  QB      3.82                
 59 ALA  HN     60 VAL  HN      3.01                
 59 ALA  HA     59 ALA  QB      3.50                
 59 ALA  HA     60 VAL  HN      3.62                
 59 ALA  HA     61 ASN  HN      4.49                
 59 ALA  QB     60 VAL  HN      4.40                
 59 ALA  QB     60 VAL  HA      7.03                
 59 ALA  QB     60 VAL  HB      5.66                
 59 ALA  QB     61 ASN  HN      7.03                
 59 ALA  QB     63 LEU  HB2     7.03                
 59 ALA  QB     63 LEU  QD2     8.06                
 60 VAL  HN     60 VAL  HA      3.05                
 60 VAL  HN     60 VAL  HB      2.65                
 60 VAL  HN     60 VAL  QQG     5.35                
 60 VAL  HN     61 ASN  HN      3.05                
 60 VAL  HA     60 VAL  HB      2.94                
 60 VAL  HA     60 VAL  QG1     3.93                
 60 VAL  HA     60 VAL  QG2     4.33                
 60 VAL  HA     60 VAL  QQG     4.95                
 60 VAL  HA     61 ASN  HN      3.95                
 60 VAL  HA     63 LEU  HN      3.84                
 60 VAL  HA     63 LEU  HB2     4.96                
 60 VAL  HA     63 LEU  HB3     3.16                
 60 VAL  HA     63 LEU  QD2     5.05                
 60 VAL  HA     64 SER  HN      5.71                
 60 VAL  HB     60 VAL  QG2     4.26
 60 VAL  HB     61 ASN  HN      3.91
 60 VAL  HB     62 LEU  HN      5.00        
 60 VAL  HB     63 LEU  QD1     3.86                
 60 VAL  QG2    61 ASN  HA      4.15                
 60 VAL  QG2    63 LEU  QD1     7.05                
 60 VAL  QQG    61 ASN  HN      6.57                
 60 VAL  QQG    63 LEU  HN      8.12                
 60 VAL  QQG    63 LEU  HG      7.04                
 60 VAL  QQG    63 LEU  QD1     9.15                
 60 VAL  QQG    64 SER  HB2     7.40                
 60 VAL  QQG    64 SER  HB3     8.12                
 61 ASN  HN     61 ASN  HA      3.08                
 61 ASN  HN     61 ASN  HB3     2.72                
 61 ASN  HA     61 ASN  HB2     3.08                
 61 ASN  HA     61 ASN  HB3     2.76                
 61 ASN  HA     62 LEU  HN      3.98
 61 ASN  HA     64 SER  HN      4.00            
 61 ASN  HA     64 SER  QB      6.55                
 61 ASN  HB2    62 LEU  HN      3.37                
 61 ASN  HB3    61 ASN  HD21    5.28
 61 ASN  HB3    62 LEU  HN      2.69              
 61 ASN  HD21   61 ASN  HD22    2.40                
 62 LEU  HN     62 LEU  HA      2.80                
 62 LEU  HN     62 LEU  HG      6.00                
 62 LEU  HN     62 LEU  QD1     5.08                
 62 LEU  HN     62 LEU  QD2     5.30
 62 LEU  HN     63 LEU  HN      3.50            
 62 LEU  HA     62 LEU  HB2     3.00               
 62 LEU  HA     62 LEU  HB3     2.69                
 62 LEU  HA     62 LEU  QD1     4.18                
 62 LEU  HA     62 LEU  QD2     4.15                
 62 LEU  HA     62 LEU  QQD     5.40                
 62 LEU  HA     65 LEU  HN      5.00                
 62 LEU  HA     65 LEU  QB      5.65                
 62 LEU  HB2    62 LEU  QD1     4.22                
 62 LEU  HB2    62 LEU  QQD     5.18                
 62 LEU  HB3    62 LEU  QQD     4.53                
 62 LEU  HG     62 LEU  QQD     5.90                
 63 LEU  HN     63 LEU  HA      3.08                
 63 LEU  HN     63 LEU  HB2     2.40                
 63 LEU  HN     63 LEU  QD1     4.87                
 63 LEU  HN     63 LEU  QD2     5.16                
 63 LEU  HA     63 LEU  HB3     3.12                
 63 LEU  HA     63 LEU  QD1     3.72                
 63 LEU  HA     63 LEU  QD2     6.06                
 63 LEU  HA     64 SER  HN      4.31                
 63 LEU  HB2    63 LEU  QD1     3.46                
 63 LEU  HB2    63 LEU  QD2     3.68                
 63 LEU  HB3    63 LEU  HG      3.01                
 63 LEU  HB3    63 LEU  QD1     4.11                
 63 LEU  HB3    63 LEU  QD2     4.69
 63 LEU  HB3    64 SER  HN      3.00            
 63 LEU  HG     63 LEU  QD2     4.26                
 63 LEU  HG     64 SER  HA      5.06                
 63 LEU  HG     64 SER  HB2     6.00                
 63 LEU  HG     66 ARG+ HN      4.85                
 63 LEU  QD2    66 ARG+ HN      6.02                
 64 SER  HN     64 SER  HA      3.08                
 64 SER  HN     64 SER  HB2     3.37                
 64 SER  HN     64 SER  HB3     2.90                
 64 SER  HN     65 LEU  HN      2.90                
 64 SER  HA     64 SER  HB2     3.12                
 64 SER  HA     64 SER  HB3     3.62                
 64 SER  HA     65 LEU  HN      3.77                
 64 SER  HB2    64 SER  HB3     3.55                
 64 SER  HB3    65 LEU  QB      6.88                
 65 LEU  HN     65 LEU  HA      3.05                
 65 LEU  HN     65 LEU  QB      3.56                
 65 LEU  HN     65 LEU  HG      2.76                
 65 LEU  HN     65 LEU  QD1     6.02                
 65 LEU  HN     65 LEU  QD2     6.99                
 65 LEU  HN     65 LEU  QQD     7.92                
 65 LEU  HN     66 ARG+ HN      3.08                
 65 LEU  HN     67 VAL  HN      4.56                
 65 LEU  HA     65 LEU  QB      3.92                
 65 LEU  HA     65 LEU  HG      4.00                
 65 LEU  HA     65 LEU  QD1     4.04                
 65 LEU  HA     65 LEU  QD2     5.62                
 65 LEU  HA     66 ARG+ HN      2.76                
 65 LEU  QB     65 LEU  HG      3.28                
 65 LEU  QB     65 LEU  QD1     5.89                
 65 LEU  QB     65 LEU  QD2     4.81                
 65 LEU  QB     66 ARG+ HN      4.82                
 65 LEU  HG     65 LEU  QD1     3.43                
 65 LEU  HG     65 LEU  QD2     4.33                
 65 LEU  HG     66 ARG+ HN      6.00                
 65 LEU  QD1    66 ARG+ HN      7.03                
 66 ARG+ HN     66 ARG+ QB      3.92                
 66 ARG+ HN     66 ARG+ HG2     6.00                
 66 ARG+ HN     66 ARG+ HG3     3.66                
 66 ARG+ HA     67 VAL  HN      4.00             
 66 ARG+ QB     67 VAL  HN      4.72                
 66 ARG+ HG2    66 ARG+ HE      6.00                
 66 ARG+ HG2    67 VAL  HN      6.00                
 66 ARG+ HG3    66 ARG+ QD      4.54                
 66 ARG+ HG3    66 ARG+ HE      3.62                
 66 ARG+ QD     66 ARG+ HE      5.65                
 66 ARG+ QD     68 LYS+ HN      6.88                
 67 VAL  HN     67 VAL  HA      3.34                
 67 VAL  HN     67 VAL  HB      3.16                
 67 VAL  HN     67 VAL  QG1     6.63                
 67 VAL  HN     67 VAL  QG2     3.86                
 67 VAL  HN     68 LYS+ HN      3.23                
 67 VAL  HA     67 VAL  HB      3.34                
 67 VAL  HA     67 VAL  QG1     5.12                
 67 VAL  HA     67 VAL  QG2     5.52                
 67 VAL  HA     68 LYS+ HN      2.94                
 67 VAL  HB     67 VAL  QG1     3.97                
 67 VAL  HB     67 VAL  QG2     3.50                
 67 VAL  HB     67 VAL  QQG     4.92                
 67 VAL  HB     68 LYS+ HN      4.49                
 67 VAL  QQG    68 LYS+ HN      8.12                
 68 LYS+ HN     68 LYS+ HA      3.05                
 68 LYS+ HN     68 LYS+ HB2     3.12                
 68 LYS+ HN     68 LYS+ HB3     4.38                
 68 LYS+ HN     68 LYS+ HG3     6.00                
 68 LYS+ HN     69 LYS+ QG      6.73                
 68 LYS+ HA     69 LYS+ HN      2.40                
 69 LYS+ HN     69 LYS+ HA      2.90                
 69 LYS+ HN     69 LYS+ HB2     3.41                
 69 LYS+ HN     69 LYS+ HB3     2.44                
 69 LYS+ HN     69 LYS+ QG      6.88                
 69 LYS+ HA     69 LYS+ HB2     3.12                
 69 LYS+ HA     69 LYS+ HB3     2.72                
 69 LYS+ HA     70 MET  HN      2.83                
 69 LYS+ QG     70 MET  HN      6.88                
 70 MET  HN     70 MET  HA      3.77                
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           H1       ALA   1 -12.623  19.382  -1.362
    2    H2   ALA   1           H2       ALA   1 -11.334  20.130  -0.675
    3    H3   ALA   1           H3       ALA   1 -11.453  20.020  -2.296
    4    HA   ALA   1           HA       ALA   1  -9.871  18.422  -1.530
    5   1HB   ALA   1          1HB       ALA   1 -10.649  16.623  -0.029
    6   2HB   ALA   1          2HB       ALA   1 -12.246  17.400   0.078
    7   3HB   ALA   1          3HB       ALA   1 -10.812  18.218   0.744
    8    H    SER   2           H        SER   2  -9.720  16.246  -2.456
    9    HA   SER   2           HA       SER   2 -11.833  14.961  -3.814
   10   1HB   SER   2          1HB       SER   2 -11.509  17.155  -5.215
   11   2HB   SER   2          2HB       SER   2 -10.011  16.375  -5.776
   12    HG   SER   2           HG       SER   2 -11.920  15.948  -7.104
   13    H    ASN   3           H        ASN   3 -11.065  13.180  -5.095
   14    HA   ASN   3           HA       ASN   3  -8.658  11.981  -4.041
   15   1HB   ASN   3          1HB       ASN   3 -10.618  10.610  -4.631
   16   2HB   ASN   3          2HB       ASN   3 -10.465  11.116  -6.328
   17   2HD2  ASN   3          2HD2      ASN   3  -8.133  10.031  -3.810
   18   1HD2  ASN   3          1HD2      ASN   3  -7.355   8.814  -4.801
   19    H    TYR   4           H        TYR   4  -6.672  12.119  -4.784
   20    HA   TYR   4           HA       TYR   4  -5.981  13.750  -7.054
   21   1HB   TYR   4          1HB       TYR   4  -4.806  13.199  -4.708
   22   2HB   TYR   4          2HB       TYR   4  -4.043  11.926  -5.677
   23    HD1  TYR   4           HD1      TYR   4  -4.776  15.620  -5.713
   24    HD2  TYR   4           HD2      TYR   4  -2.151  12.427  -6.982
   25    HE1  TYR   4           HE1      TYR   4  -3.177  17.311  -6.640
   26    HE2  TYR   4           HE2      TYR   4  -0.552  14.108  -7.918
   27    HH   TYR   4           HH       TYR   4  -0.053  16.246  -8.124
   28    H    ASP   5           H        ASP   5  -3.994  12.609  -8.409
   29    HA   ASP   5           HA       ASP   5  -5.066  10.064  -9.506
   30   1HB   ASP   5          1HB       ASP   5  -5.274  12.251 -10.898
   31   2HB   ASP   5          2HB       ASP   5  -3.508  12.144 -11.070
   32    HD2  ASP   5           HD2      ASP   5  -4.076  10.118 -13.764
   33    H    CYS   6           H        CYS   6  -3.605   9.495  -7.544
   34    HA   CYS   6           HA       CYS   6  -0.810   9.694  -7.635
   35   1HB   CYS   6          1HB       CYS   6  -2.696   7.735  -6.306
   36   2HB   CYS   6          2HB       CYS   6  -0.939   7.767  -6.018
   37    H    CYS   7           H        CYS   7  -0.904   6.443  -7.317
   38    HA   CYS   7           HA       CYS   7   0.341   5.751  -9.723
   39   1HB   CYS   7          1HB       CYS   7   0.494   3.737  -8.817
   40   2HB   CYS   7          2HB       CYS   7  -0.078   4.582  -7.357
   41    H    LEU   8           H        LEU   8  -0.937   3.649 -10.906
   42    HA   LEU   8           HA       LEU   8  -2.459   4.581 -12.931
   43   1HB   LEU   8          1HB       LEU   8  -1.615   2.308 -12.776
   44   2HB   LEU   8          2HB       LEU   8  -2.754   1.942 -11.458
   45    HG   LEU   8           HG       LEU   8  -4.223   3.019 -13.681
   46   1HD1  LEU   8          1HD1      LEU   8  -2.356   2.297 -15.097
   47   2HD1  LEU   8          2HD1      LEU   8  -2.457   0.658 -14.410
   48   3HD1  LEU   8          3HD1      LEU   8  -3.797   1.297 -15.390
   49   1HD2  LEU   8          1HD2      LEU   8  -5.119   1.580 -11.896
   50   2HD2  LEU   8          2HD2      LEU   8  -5.426   0.869 -13.498
   51   3HD2  LEU   8          3HD2      LEU   8  -4.120   0.225 -12.476
   52    H    SER   9           H        SER   9  -3.883   3.306  -9.868
   53    HA   SER   9           HA       SER   9  -5.861   5.333  -9.730
   54   1HB   SER   9          1HB       SER   9  -6.652   2.691 -10.905
   55   2HB   SER   9          2HB       SER   9  -7.719   3.381  -9.659
   56    HG   SER   9           HG       SER   9  -8.202   4.115 -11.879
   57    H    TYR  10           H        TYR  10  -6.310   5.611  -7.674
   58    HA   TYR  10           HA       TYR  10  -5.226   4.406  -5.492
   59   1HB   TYR  10          1HB       TYR  10  -6.677   6.482  -5.628
   60   2HB   TYR  10          2HB       TYR  10  -8.087   5.410  -5.609
   61    HD1  TYR  10           HD1      TYR  10  -9.029   4.728  -3.558
   62    HD2  TYR  10           HD2      TYR  10  -4.962   6.231  -3.675
   63    HE1  TYR  10           HE1      TYR  10  -8.954   4.726  -1.054
   64    HE2  TYR  10           HE2      TYR  10  -4.916   6.259  -1.173
   65    HH   TYR  10           HH       TYR  10  -6.089   5.943   0.718
   66    H    ILE  11           H        ILE  11  -6.032   2.954  -3.847
   67    HA   ILE  11           HA       ILE  11  -7.002   0.518  -4.921
   68    HB   ILE  11           HB       ILE  11  -5.450   0.694  -3.044
   69   1HG1  ILE  11          1HG1      ILE  11  -6.262  -1.196  -1.868
   70   2HG1  ILE  11          2HG1      ILE  11  -7.956  -0.773  -2.219
   71   1HG2  ILE  11          1HG2      ILE  11  -6.474   2.532  -1.761
   72   2HG2  ILE  11          2HG2      ILE  11  -7.877   1.501  -1.393
   73   3HG2  ILE  11          3HG2      ILE  11  -6.278   1.094  -0.739
   74   1HD1  ILE  11          1HD1      ILE  11  -5.899  -1.709  -4.249
   75   2HD1  ILE  11          2HD1      ILE  11  -7.216  -2.698  -3.588
   76   3HD1  ILE  11          3HD1      ILE  11  -7.593  -1.288  -4.598
   77    H    GLN  12           H        GLN  12  -8.852   1.016  -6.019
   78    HA   GLN  12           HA       GLN  12 -11.141   2.173  -4.972
   79   1HB   GLN  12          1HB       GLN  12 -12.340   1.050  -6.756
   80   2HB   GLN  12          2HB       GLN  12 -10.763   1.636  -7.339
   81   1HG   GLN  12          1HG       GLN  12 -10.001  -0.819  -6.659
   82   2HG   GLN  12          2HG       GLN  12 -11.728  -1.166  -6.894
   83   2HE2  GLN  12          2HE2      GLN  12 -10.670  -2.595  -8.523
   84   1HE2  GLN  12          1HE2      GLN  12 -10.392  -1.946 -10.125
   85    H    THR  13           H        THR  13  -9.706  -0.799  -4.092
   86    HA   THR  13           HA       THR  13 -11.810  -1.423  -2.243
   87    HB   THR  13           HB       THR  13 -11.455  -2.988  -4.694
   88    HG1  THR  13           HG1      THR  13 -13.718  -3.311  -4.030
   89   1HG2  THR  13          1HG2      THR  13 -11.952  -4.476  -2.098
   90   2HG2  THR  13          2HG2      THR  13 -12.191  -5.139  -3.726
   91   3HG2  THR  13          3HG2      THR  13 -10.560  -4.702  -3.185
   92    HA   PRO  14           HA       PRO  14  -7.915  -2.168  -0.245
   93   1HB   PRO  14          1HB       PRO  14  -8.970  -1.895   2.323
   94   2HB   PRO  14          2HB       PRO  14  -8.305  -0.586   1.292
   95   1HG   PRO  14          1HG       PRO  14 -11.115  -1.199   1.941
   96   2HG   PRO  14          2HG       PRO  14 -10.372   0.370   1.490
   97   1HD   PRO  14          1HD       PRO  14 -11.888  -1.346  -0.183
   98   2HD   PRO  14          2HD       PRO  14 -10.827  -0.013  -0.730
   99    H    LEU  15           H        LEU  15  -7.366  -4.265  -0.505
  100    HA   LEU  15           HA       LEU  15  -9.161  -6.297   0.599
  101   1HB   LEU  15          1HB       LEU  15  -7.550  -7.852  -0.667
  102   2HB   LEU  15          2HB       LEU  15  -8.734  -6.866  -1.558
  103    HG   LEU  15           HG       LEU  15  -5.942  -5.807  -1.227
  104   1HD1  LEU  15          1HD1      LEU  15  -5.718  -8.197  -1.883
  105   2HD1  LEU  15          2HD1      LEU  15  -6.881  -7.939  -3.206
  106   3HD1  LEU  15          3HD1      LEU  15  -5.301  -7.115  -3.235
  107   1HD2  LEU  15          1HD2      LEU  15  -7.991  -5.790  -3.481
  108   2HD2  LEU  15          2HD2      LEU  15  -7.694  -4.455  -2.342
  109   3HD2  LEU  15          3HD2      LEU  15  -6.427  -4.941  -3.492
  110    HA   PRO  16           HA       PRO  16  -6.600  -7.118   4.050
  111   1HB   PRO  16          1HB       PRO  16  -6.627  -9.866   4.378
  112   2HB   PRO  16          2HB       PRO  16  -8.003  -8.782   4.764
  113   1HG   PRO  16          1HG       PRO  16  -7.609 -10.524   2.370
  114   2HG   PRO  16          2HG       PRO  16  -9.121 -10.178   3.272
  115   1HD   PRO  16          1HD       PRO  16  -8.393  -8.984   0.856
  116   2HD   PRO  16          2HD       PRO  16  -9.469  -8.216   2.063
  117    H    SER  17           H        SER  17  -4.427  -7.475   4.596
  118    HA   SER  17           HA       SER  17  -2.524  -7.716   2.631
  119   1HB   SER  17          1HB       SER  17  -0.853  -7.848   4.300
  120   2HB   SER  17          2HB       SER  17  -2.159  -6.862   5.002
  121    HG   SER  17           HG       SER  17  -1.256  -8.630   6.395
  122    H    ARG  18           H        ARG  18  -4.360 -10.239   4.026
  123    HA   ARG  18           HA       ARG  18  -2.689 -12.499   3.702
  124   1HB   ARG  18          1HB       ARG  18  -5.041 -12.108   4.841
  125   2HB   ARG  18          2HB       ARG  18  -5.657 -12.571   3.237
  126   1HG   ARG  18          1HG       ARG  18  -4.259 -14.626   3.310
  127   2HG   ARG  18          2HG       ARG  18  -3.691 -14.169   4.934
  128   1HD   ARG  18          1HD       ARG  18  -5.498 -15.154   5.843
  129   2HD   ARG  18          2HD       ARG  18  -6.558 -14.057   4.933
  130    HE   ARG  18           HE       ARG  18  -5.792 -15.924   3.082
  131   1HH1  ARG  18          1HH1      ARG  18  -6.946 -17.826   2.586
  132   2HH1  ARG  18          2HH1      ARG  18  -8.003 -18.539   3.781
  133   1HH2  ARG  18          1HH2      ARG  18  -7.352 -16.137   6.234
  134   2HH2  ARG  18          2HH2      ARG  18  -8.233 -17.592   5.834
  135    H    ALA  19           H        ALA  19  -4.116 -10.391   1.362
  136    HA   ALA  19           HA       ALA  19  -3.746 -12.362  -0.827
  137   1HB   ALA  19          1HB       ALA  19  -5.252 -10.875  -2.106
  138   2HB   ALA  19          2HB       ALA  19  -6.028 -11.441  -0.606
  139   3HB   ALA  19          3HB       ALA  19  -5.375  -9.787  -0.701
  140    H    ILE  20           H        ILE  20  -2.137  -9.864   0.764
  141    HA   ILE  20           HA       ILE  20  -0.991  -8.627  -1.626
  142    HB   ILE  20           HB       ILE  20  -1.032  -8.020   1.312
  143   1HG1  ILE  20          1HG1      ILE  20  -1.696  -5.775   0.426
  144   2HG1  ILE  20          2HG1      ILE  20  -1.764  -6.516  -1.191
  145   1HG2  ILE  20          1HG2      ILE  20   1.316  -7.746   0.651
  146   2HG2  ILE  20          2HG2      ILE  20   0.821  -6.699  -0.701
  147   3HG2  ILE  20          3HG2      ILE  20   0.569  -6.167   0.974
  148   1HD1  ILE  20          1HD1      ILE  20  -3.530  -7.225   1.166
  149   2HD1  ILE  20          2HD1      ILE  20  -4.030  -6.260  -0.232
  150   3HD1  ILE  20          3HD1      ILE  20  -3.598  -7.964  -0.452
  151    H    VAL  21           H        VAL  21   0.511  -9.688  -2.554
  152    HA   VAL  21           HA       VAL  21   2.231 -11.549  -1.112
  153    HB   VAL  21           HB       VAL  21   1.141 -11.440  -3.623
  154   1HG1  VAL  21          1HG1      VAL  21   2.823  -9.944  -4.567
  155   2HG1  VAL  21          2HG1      VAL  21   4.113 -11.048  -4.031
  156   3HG1  VAL  21          3HG1      VAL  21   2.964 -11.561  -5.279
  157   1HG2  VAL  21          1HG2      VAL  21   1.789 -13.393  -2.271
  158   2HG2  VAL  21          2HG2      VAL  21   2.405 -13.546  -3.933
  159   3HG2  VAL  21          3HG2      VAL  21   3.505 -13.072  -2.618
  160    H    GLY  22           H        GLY  22   2.500  -8.392  -2.735
  161   1HA   GLY  22          1HA       GLY  22   5.025  -7.798  -3.094
  162   2HA   GLY  22          2HA       GLY  22   5.002  -7.808  -1.316
  163    H    PHE  23           H        PHE  23   5.591  -5.498  -1.826
  164    HA   PHE  23           HA       PHE  23   3.846  -3.631  -2.893
  165   1HB   PHE  23          1HB       PHE  23   2.920  -2.562  -0.917
  166   2HB   PHE  23          2HB       PHE  23   2.303  -4.212  -1.106
  167    HD1  PHE  23           HD1      PHE  23   3.480  -6.106   0.300
  168    HD2  PHE  23           HD2      PHE  23   3.912  -1.841   0.965
  169    HE1  PHE  23           HE1      PHE  23   4.360  -6.581   2.587
  170    HE2  PHE  23           HE2      PHE  23   4.695  -2.318   3.283
  171    HZ   PHE  23           HZ       PHE  23   4.971  -4.651   4.049
  172    H    THR  24           H        THR  24   4.379  -1.389  -2.217
  173    HA   THR  24           HA       THR  24   7.004  -1.057  -0.896
  174    HB   THR  24           HB       THR  24   6.538   0.246  -3.568
  175    HG1  THR  24           HG1      THR  24   7.732  -1.712  -4.454
  176   1HG2  THR  24          1HG2      THR  24   8.494   0.877  -2.179
  177   2HG2  THR  24          2HG2      THR  24   9.011  -0.826  -2.135
  178   3HG2  THR  24          3HG2      THR  24   9.014   0.066  -3.674
  179    H    ARG  25           H        ARG  25   7.521   1.369  -0.819
  180    HA   ARG  25           HA       ARG  25   5.125   2.726   0.231
  181   1HB   ARG  25          1HB       ARG  25   8.119   3.168   0.559
  182   2HB   ARG  25          2HB       ARG  25   6.875   4.248   1.234
  183   1HG   ARG  25          1HG       ARG  25   6.800   1.292   1.846
  184   2HG   ARG  25          2HG       ARG  25   7.915   2.357   2.735
  185   1HD   ARG  25          1HD       ARG  25   5.424   3.703   2.733
  186   2HD   ARG  25          2HD       ARG  25   5.046   2.002   3.079
  187    HE   ARG  25           HE       ARG  25   6.257   2.127   5.057
  188   1HH1  ARG  25          1HH1      ARG  25   7.298   3.189   6.776
  189   2HH1  ARG  25          2HH1      ARG  25   7.910   4.810   6.555
  190   1HH2  ARG  25          1HH2      ARG  25   6.858   5.096   3.242
  191   2HH2  ARG  25          2HH2      ARG  25   7.664   5.877   4.578
  192    H    GLN  26           H        GLN  26   4.359   4.605  -0.621
  193    HA   GLN  26           HA       GLN  26   5.857   5.767  -2.908
  194   1HB   GLN  26          1HB       GLN  26   3.625   4.627  -3.423
  195   2HB   GLN  26          2HB       GLN  26   2.861   5.903  -2.446
  196   1HG   GLN  26          1HG       GLN  26   4.097   7.559  -4.001
  197   2HG   GLN  26          2HG       GLN  26   4.347   6.160  -5.068
  198   2HE2  GLN  26          2HE2      GLN  26   1.742   7.530  -3.057
  199   1HE2  GLN  26          1HE2      GLN  26   0.479   7.413  -4.262
  200    H    MET  27           H        MET  27   6.557   7.672  -2.583
  201    HA   MET  27           HA       MET  27   5.866   9.281  -0.266
  202   1HB   MET  27          1HB       MET  27   7.621   9.865  -2.679
  203   2HB   MET  27          2HB       MET  27   7.614  10.744  -1.131
  204   1HG   MET  27          1HG       MET  27   8.620   8.953   0.023
  205   2HG   MET  27          2HG       MET  27   8.227   7.787  -1.251
  206   1HE   MET  27          1HE       MET  27  10.303   6.734  -2.052
  207   2HE   MET  27          2HE       MET  27   9.518   7.501  -3.453
  208   3HE   MET  27          3HE       MET  27  11.288   7.585  -3.268
  209    H    ALA  28           H        ALA  28   5.324  11.563  -0.488
  210    HA   ALA  28           HA       ALA  28   3.223  12.032  -2.509
  211   1HB   ALA  28          1HB       ALA  28   3.959  13.414   0.122
  212   2HB   ALA  28          2HB       ALA  28   2.657  12.218  -0.085
  213   3HB   ALA  28          3HB       ALA  28   2.549  13.800  -0.896
  214    H    ASP  29           H        ASP  29   4.032  12.996  -4.283
  215    HA   ASP  29           HA       ASP  29   5.024  15.528  -4.371
  216   1HB   ASP  29          1HB       ASP  29   7.204  13.681  -3.819
  217   2HB   ASP  29          2HB       ASP  29   7.426  14.488  -5.386
  218    HD2  ASP  29           HD2      ASP  29   8.966  16.678  -3.138
  219    H    GLU  30           H        GLU  30   5.887  12.408  -5.910
  220    HA   GLU  30           HA       GLU  30   6.006  13.352  -8.567
  221   1HB   GLU  30          1HB       GLU  30   6.762  11.138  -7.264
  222   2HB   GLU  30          2HB       GLU  30   5.249  10.519  -7.970
  223   1HG   GLU  30          1HG       GLU  30   6.036  10.654 -10.123
  224   2HG   GLU  30          2HG       GLU  30   6.996  12.112  -9.792
  225    H    ALA  31           H        ALA  31   4.180  11.176  -9.706
  226    HA   ALA  31           HA       ALA  31   1.932  12.599 -10.419
  227   1HB   ALA  31          1HB       ALA  31   2.215   9.587 -10.035
  228   2HB   ALA  31          2HB       ALA  31   2.697  10.504 -11.483
  229   3HB   ALA  31          3HB       ALA  31   0.980  10.395 -11.029
  230    H    CYS  32           H        CYS  32   2.576  11.090  -7.343
  231    HA   CYS  32           HA       CYS  32  -0.214  11.508  -6.445
  232   1HB   CYS  32          1HB       CYS  32   1.017   9.254  -6.145
  233   2HB   CYS  32          2HB       CYS  32   2.018  10.126  -4.957
  234    H    ASP  33           H        ASP  33  -0.592  13.109  -5.069
  235    HA   ASP  33           HA       ASP  33   1.663  14.765  -4.100
  236   1HB   ASP  33          1HB       ASP  33  -0.274  15.781  -5.318
  237   2HB   ASP  33          2HB       ASP  33  -1.333  15.242  -3.997
  238    HD2  ASP  33           HD2      ASP  33   1.124  17.865  -2.461
  239    H    ILE  34           H        ILE  34   0.046  12.064  -3.060
  240    HA   ILE  34           HA       ILE  34   0.222  12.854  -0.242
  241    HB   ILE  34           HB       ILE  34  -1.813  12.023   0.369
  242   1HG1  ILE  34          1HG1      ILE  34  -1.879  10.521  -2.209
  243   2HG1  ILE  34          2HG1      ILE  34  -1.904   9.916  -0.536
  244   1HG2  ILE  34          1HG2      ILE  34  -2.052  14.170  -0.773
  245   2HG2  ILE  34          2HG2      ILE  34  -2.365  13.336  -2.314
  246   3HG2  ILE  34          3HG2      ILE  34  -3.521  13.190  -0.972
  247   1HD1  ILE  34          1HD1      ILE  34  -4.193  11.324  -1.953
  248   2HD1  ILE  34          2HD1      ILE  34  -4.102   9.582  -1.638
  249   3HD1  ILE  34          3HD1      ILE  34  -4.218  10.716  -0.280
  250    H    ASN  35           H        ASN  35   0.125  10.714   1.092
  251    HA   ASN  35           HA       ASN  35   2.206   8.939   0.029
  252   1HB   ASN  35          1HB       ASN  35   1.993   8.026   2.354
  253   2HB   ASN  35          2HB       ASN  35   2.440   9.743   2.267
  254   2HD2  ASN  35          2HD2      ASN  35   1.715   9.376   4.594
  255   1HD2  ASN  35          1HD2      ASN  35   0.044   9.752   4.953
  256    H    ALA  36           H        ALA  36   1.884   6.880  -0.621
  257    HA   ALA  36           HA       ALA  36  -0.652   5.591  -0.144
  258   1HB   ALA  36          1HB       ALA  36  -1.108   4.946  -2.471
  259   2HB   ALA  36          2HB       ALA  36   0.238   5.969  -3.013
  260   3HB   ALA  36          3HB       ALA  36  -1.189   6.706  -2.246
  261    H    ILE  37           H        ILE  37  -0.631   3.323  -0.525
  262    HA   ILE  37           HA       ILE  37   2.115   2.244  -0.367
  263    HB   ILE  37           HB       ILE  37  -0.546   1.103   0.481
  264   1HG1  ILE  37          1HG1      ILE  37  -0.180   2.891   1.874
  265   2HG1  ILE  37          2HG1      ILE  37   0.447   1.499   2.789
  266   1HG2  ILE  37          1HG2      ILE  37   0.980  -0.697  -0.058
  267   2HG2  ILE  37          2HG2      ILE  37   2.207  -0.003   1.029
  268   3HG2  ILE  37          3HG2      ILE  37   0.684  -0.630   1.691
  269   1HD1  ILE  37          1HD1      ILE  37   2.119   3.564   1.321
  270   2HD1  ILE  37          2HD1      ILE  37   1.900   3.485   3.079
  271   3HD1  ILE  37          3HD1      ILE  37   2.746   2.173   2.239
  272    H    ILE  38           H        ILE  38   2.867   1.611  -2.128
  273    HA   ILE  38           HA       ILE  38   1.294   0.833  -4.428
  274    HB   ILE  38           HB       ILE  38   4.261   0.951  -3.831
  275   1HG1  ILE  38          1HG1      ILE  38   2.658   2.608  -5.797
  276   2HG1  ILE  38          2HG1      ILE  38   2.836   3.087  -4.092
  277   1HG2  ILE  38          1HG2      ILE  38   3.821  -0.766  -5.553
  278   2HG2  ILE  38          2HG2      ILE  38   2.868   0.416  -6.482
  279   3HG2  ILE  38          3HG2      ILE  38   4.615   0.655  -6.265
  280   1HD1  ILE  38          1HD1      ILE  38   5.117   2.603  -6.052
  281   2HD1  ILE  38          2HD1      ILE  38   4.537   4.194  -5.512
  282   3HD1  ILE  38          3HD1      ILE  38   5.294   3.084  -4.348
  283    H    PHE  39           H        PHE  39   0.120  -0.840  -3.320
  284    HA   PHE  39           HA       PHE  39   1.285  -3.266  -2.342
  285   1HB   PHE  39          1HB       PHE  39  -1.472  -2.459  -3.216
  286   2HB   PHE  39          2HB       PHE  39  -1.080  -4.169  -2.974
  287    HD1  PHE  39           HD1      PHE  39   0.466  -4.545  -0.797
  288    HD2  PHE  39           HD2      PHE  39  -2.395  -1.350  -1.327
  289    HE1  PHE  39           HE1      PHE  39   0.119  -4.450   1.663
  290    HE2  PHE  39           HE2      PHE  39  -2.658  -1.202   1.152
  291    HZ   PHE  39           HZ       PHE  39  -1.498  -2.818   2.632
  292    H    HIS  40           H        HIS  40   1.283  -5.327  -3.315
  293    HA   HIS  40           HA       HIS  40   1.028  -5.481  -6.261
  294   1HB   HIS  40          1HB       HIS  40   3.466  -6.315  -4.633
  295   2HB   HIS  40          2HB       HIS  40   3.217  -6.625  -6.361
  296    HD1  HIS  40           HD1      HIS  40   2.373  -3.808  -7.303
  297    HD2  HIS  40           HD2      HIS  40   5.232  -4.488  -4.438
  298    HE1  HIS  40           HE1      HIS  40   4.028  -1.883  -7.487
  299    HE2  HIS  40           HE2      HIS  40   5.520  -2.169  -5.425
  300    H    THR  41           H        THR  41  -0.927  -6.420  -4.951
  301    HA   THR  41           HA       THR  41  -0.811  -8.820  -3.515
  302    HB   THR  41           HB       THR  41  -3.166  -9.028  -4.169
  303    HG1  THR  41           HG1      THR  41  -3.817  -7.381  -5.913
  304   1HG2  THR  41          1HG2      THR  41  -2.410  -6.093  -3.901
  305   2HG2  THR  41          2HG2      THR  41  -4.030  -6.777  -3.634
  306   3HG2  THR  41          3HG2      THR  41  -2.690  -7.222  -2.553
  307    H    LYS  42           H        LYS  42  -1.948 -10.893  -4.544
  308    HA   LYS  42           HA       LYS  42  -0.098 -11.674  -6.703
  309   1HB   LYS  42          1HB       LYS  42  -0.694 -13.985  -6.120
  310   2HB   LYS  42          2HB       LYS  42  -0.078 -13.074  -4.721
  311   1HG   LYS  42          1HG       LYS  42  -2.043 -13.241  -3.600
  312   2HG   LYS  42          2HG       LYS  42  -3.011 -12.922  -5.060
  313   1HD   LYS  42          1HD       LYS  42  -2.400 -15.304  -5.808
  314   2HD   LYS  42          2HD       LYS  42  -1.800 -15.562  -4.152
  315   1HE   LYS  42          1HE       LYS  42  -4.208 -14.446  -3.573
  316   2HE   LYS  42          2HE       LYS  42  -4.612 -15.195  -5.133
  317   1HZ   LYS  42          1HZ       LYS  42  -3.711 -17.253  -4.278
  318   2HZ   LYS  42          2HZ       LYS  42  -3.381 -16.517  -2.844
  319   3HZ   LYS  42          3HZ       LYS  42  -4.921 -16.694  -3.337
  320    H    LYS  43           H        LYS  43  -3.166 -10.469  -6.484
  321    HA   LYS  43           HA       LYS  43  -3.907 -11.512  -9.117
  322   1HB   LYS  43          1HB       LYS  43  -4.871 -12.912  -7.171
  323   2HB   LYS  43          2HB       LYS  43  -5.936 -11.513  -6.890
  324   1HG   LYS  43          1HG       LYS  43  -7.016 -11.754  -8.952
  325   2HG   LYS  43          2HG       LYS  43  -5.663 -12.660  -9.669
  326   1HD   LYS  43          1HD       LYS  43  -6.385 -14.661  -8.833
  327   2HD   LYS  43          2HD       LYS  43  -6.957 -13.935  -7.312
  328   1HE   LYS  43          1HE       LYS  43  -8.467 -13.194  -9.773
  329   2HE   LYS  43          2HE       LYS  43  -8.626 -14.879  -9.230
  330   1HZ   LYS  43          1HZ       LYS  43  -9.041 -12.509  -7.540
  331   2HZ   LYS  43          2HZ       LYS  43 -10.215 -13.432  -8.185
  332   3HZ   LYS  43          3HZ       LYS  43  -9.215 -14.078  -7.076
  333    H    ARG  44           H        ARG  44  -2.821  -8.990  -8.282
  334    HA   ARG  44           HA       ARG  44  -4.595  -7.234  -9.645
  335   1HB   ARG  44          1HB       ARG  44  -4.881  -7.293  -6.759
  336   2HB   ARG  44          2HB       ARG  44  -4.193  -5.737  -7.283
  337   1HG   ARG  44          1HG       ARG  44  -6.062  -5.234  -8.623
  338   2HG   ARG  44          2HG       ARG  44  -6.641  -6.917  -8.600
  339   1HD   ARG  44          1HD       ARG  44  -6.852  -6.619  -6.027
  340   2HD   ARG  44          2HD       ARG  44  -6.683  -4.878  -6.337
  341    HE   ARG  44           HE       ARG  44  -8.525  -5.546  -8.165
  342   1HH1  ARG  44          1HH1      ARG  44 -10.793  -5.682  -7.928
  343   2HH1  ARG  44          2HH1      ARG  44 -11.484  -6.179  -6.401
  344   1HH2  ARG  44          1HH2      ARG  44  -8.412  -6.513  -4.778
  345   2HH2  ARG  44          2HH2      ARG  44 -10.147  -6.646  -4.632
  346    H    LYS  45           H        LYS  45  -3.386  -5.796 -10.607
  347    HA   LYS  45           HA       LYS  45  -0.566  -5.751 -10.376
  348   1HB   LYS  45          1HB       LYS  45  -2.629  -4.233 -11.886
  349   2HB   LYS  45          2HB       LYS  45  -1.074  -3.407 -11.625
  350   1HG   LYS  45          1HG       LYS  45  -0.092  -5.792 -12.304
  351   2HG   LYS  45          2HG       LYS  45  -1.668  -5.953 -13.115
  352   1HD   LYS  45          1HD       LYS  45  -0.922  -4.691 -14.831
  353   2HD   LYS  45          2HD       LYS  45  -0.606  -3.342 -13.714
  354   1HE   LYS  45          1HE       LYS  45   1.628  -4.045 -13.315
  355   2HE   LYS  45          2HE       LYS  45   1.321  -5.675 -13.954
  356   1HZ   LYS  45          1HZ       LYS  45   1.043  -4.697 -16.105
  357   2HZ   LYS  45          2HZ       LYS  45   1.342  -3.193 -15.524
  358   3HZ   LYS  45          3HZ       LYS  45   2.505  -4.328 -15.511
  359    H    SER  46           H        SER  46   0.414  -3.312 -10.226
  360    HA   SER  46           HA       SER  46   0.767  -2.732  -7.573
  361   1HB   SER  46          1HB       SER  46   2.092  -1.863  -9.560
  362   2HB   SER  46          2HB       SER  46   0.821  -0.633  -9.764
  363    HG   SER  46           HG       SER  46   2.650   0.028  -8.358
  364    H    VAL  47           H        VAL  47  -0.542  -2.101  -6.039
  365    HA   VAL  47           HA       VAL  47  -2.985  -0.554  -6.762
  366    HB   VAL  47           HB       VAL  47  -2.349  -2.752  -4.909
  367   1HG1  VAL  47          1HG1      VAL  47  -2.844  -1.077  -3.244
  368   2HG1  VAL  47          2HG1      VAL  47  -4.384  -0.703  -4.054
  369   3HG1  VAL  47          3HG1      VAL  47  -4.136  -2.292  -3.306
  370   1HG2  VAL  47          1HG2      VAL  47  -3.647  -3.096  -6.939
  371   2HG2  VAL  47          2HG2      VAL  47  -4.624  -3.470  -5.501
  372   3HG2  VAL  47          3HG2      VAL  47  -4.875  -1.940  -6.370
  373    H    CYS  48           H        CYS  48  -3.404   1.367  -5.687
  374    HA   CYS  48           HA       CYS  48  -1.195   2.270  -3.939
  375   1HB   CYS  48          1HB       CYS  48  -2.238   4.608  -4.606
  376   2HB   CYS  48          2HB       CYS  48  -0.906   3.814  -5.481
  377    H    ALA  49           H        ALA  49  -1.759   2.107  -1.892
  378    HA   ALA  49           HA       ALA  49  -4.519   2.957  -1.184
  379   1HB   ALA  49          1HB       ALA  49  -4.096   0.549  -1.107
  380   2HB   ALA  49          2HB       ALA  49  -4.353   1.218   0.525
  381   3HB   ALA  49          3HB       ALA  49  -2.706   0.821  -0.029
  382    H    ASP  50           H        ASP  50  -4.642   4.723   0.049
  383    HA   ASP  50           HA       ASP  50  -2.333   6.087   0.969
  384   1HB   ASP  50          1HB       ASP  50  -4.802   6.835   0.540
  385   2HB   ASP  50          2HB       ASP  50  -5.025   6.425   2.254
  386    HD2  ASP  50           HD2      ASP  50  -2.850   9.109   3.163
  387    HA   PRO  51           HA       PRO  51  -1.452   3.770   4.674
  388   1HB   PRO  51          1HB       PRO  51   0.638   5.249   5.632
  389   2HB   PRO  51          2HB       PRO  51   0.733   4.106   4.253
  390   1HG   PRO  51          1HG       PRO  51   0.523   7.086   4.199
  391   2HG   PRO  51          2HG       PRO  51   1.460   6.007   3.114
  392   1HD   PRO  51          1HD       PRO  51  -1.015   7.161   2.522
  393   2HD   PRO  51          2HD       PRO  51  -0.381   5.671   1.760
  394    H    LYS  52           H        LYS  52  -3.693   4.802   4.986
  395    HA   LYS  52           HA       LYS  52  -3.580   5.950   7.690
  396   1HB   LYS  52          1HB       LYS  52  -5.647   7.315   7.037
  397   2HB   LYS  52          2HB       LYS  52  -4.035   7.893   6.551
  398   1HG   LYS  52          1HG       LYS  52  -5.729   8.272   4.842
  399   2HG   LYS  52          2HG       LYS  52  -4.418   7.205   4.284
  400   1HD   LYS  52          1HD       LYS  52  -5.822   5.472   3.898
  401   2HD   LYS  52          2HD       LYS  52  -6.802   5.804   5.346
  402   1HE   LYS  52          1HE       LYS  52  -6.948   7.744   3.054
  403   2HE   LYS  52          2HE       LYS  52  -7.790   6.186   2.897
  404   1HZ   LYS  52          1HZ       LYS  52  -8.058   8.019   5.180
  405   2HZ   LYS  52          2HZ       LYS  52  -9.130   7.887   3.952
  406   3HZ   LYS  52          3HZ       LYS  52  -8.878   6.619   4.943
  407    H    GLN  53           H        GLN  53  -4.194   3.298   6.233
  408    HA   GLN  53           HA       GLN  53  -6.886   2.805   7.391
  409   1HB   GLN  53          1HB       GLN  53  -5.393   1.103   5.388
  410   2HB   GLN  53          2HB       GLN  53  -7.127   1.083   5.788
  411   1HG   GLN  53          1HG       GLN  53  -6.485   3.696   4.871
  412   2HG   GLN  53          2HG       GLN  53  -5.753   2.537   3.740
  413   2HE2  GLN  53          2HE2      GLN  53  -7.054   3.132   2.081
  414   1HE2  GLN  53          1HE2      GLN  53  -8.736   2.667   1.991
  415    H    ASN  54           H        ASN  54  -7.029   0.385   8.064
  416    HA   ASN  54           HA       ASN  54  -4.875  -0.182   9.948
  417   1HB   ASN  54          1HB       ASN  54  -6.433  -2.038  10.659
  418   2HB   ASN  54          2HB       ASN  54  -7.061  -0.388  10.859
  419   2HD2  ASN  54          2HD2      ASN  54  -8.607   0.416   9.399
  420   1HD2  ASN  54          1HD2      ASN  54  -9.529  -0.611   8.323
  421    H    TRP  55           H        TRP  55  -6.371  -1.619   7.038
  422    HA   TRP  55           HA       TRP  55  -4.834  -4.005   7.057
  423   1HB   TRP  55          1HB       TRP  55  -5.801  -4.425   4.937
  424   2HB   TRP  55          2HB       TRP  55  -7.038  -3.604   5.899
  425    HD1  TRP  55           HD1      TRP  55  -7.544  -0.993   5.209
  426    HE1  TRP  55           HE1      TRP  55  -7.255   0.268   3.031
  427    HE3  TRP  55           HE3      TRP  55  -4.550  -4.311   2.877
  428    HZ2  TRP  55           HZ2      TRP  55  -6.029  -0.193   0.505
  429    HZ3  TRP  55           HZ3      TRP  55  -4.398  -4.181   0.389
  430    HH2  TRP  55           HH2      TRP  55  -5.121  -2.112  -0.788
  431    H    VAL  56           H        VAL  56  -4.539  -0.911   5.291
  432    HA   VAL  56           HA       VAL  56  -2.164  -1.410   3.901
  433    HB   VAL  56           HB       VAL  56  -3.733   0.958   4.789
  434   1HG1  VAL  56          1HG1      VAL  56  -0.955   1.225   3.609
  435   2HG1  VAL  56          2HG1      VAL  56  -2.125   2.545   3.798
  436   3HG1  VAL  56          3HG1      VAL  56  -1.448   1.755   5.235
  437   1HG2  VAL  56          1HG2      VAL  56  -4.106  -0.294   2.683
  438   2HG2  VAL  56          2HG2      VAL  56  -3.587   1.376   2.353
  439   3HG2  VAL  56          3HG2      VAL  56  -2.426   0.037   2.198
  440    H    LYS  57           H        LYS  57  -2.540   0.489   6.969
  441    HA   LYS  57           HA       LYS  57   0.138   0.725   7.528
  442   1HB   LYS  57          1HB       LYS  57  -0.391   1.285   9.737
  443   2HB   LYS  57          2HB       LYS  57  -1.800   1.799   8.778
  444   1HG   LYS  57          1HG       LYS  57  -3.054  -0.134   9.479
  445   2HG   LYS  57          2HG       LYS  57  -1.630  -0.810  10.306
  446   1HD   LYS  57          1HD       LYS  57  -2.813   1.830  11.140
  447   2HD   LYS  57          2HD       LYS  57  -3.479   0.286  11.723
  448   1HE   LYS  57          1HE       LYS  57  -1.859   0.211  13.282
  449   2HE   LYS  57          2HE       LYS  57  -0.642   0.133  11.990
  450   1HZ   LYS  57          1HZ       LYS  57  -1.850   2.589  13.034
  451   2HZ   LYS  57          2HZ       LYS  57  -0.362   2.035  13.409
  452   3HZ   LYS  57          3HZ       LYS  57  -0.683   2.503  11.884
  453    H    ARG  58           H        ARG  58  -2.024  -2.089   8.244
  454    HA   ARG  58           HA       ARG  58  -0.202  -3.602   9.737
  455   1HB   ARG  58          1HB       ARG  58  -2.620  -4.190   8.114
  456   2HB   ARG  58          2HB       ARG  58  -1.537  -5.557   8.467
  457   1HG   ARG  58          1HG       ARG  58  -1.743  -5.254  10.813
  458   2HG   ARG  58          2HG       ARG  58  -2.444  -3.629  10.623
  459   1HD   ARG  58          1HD       ARG  58  -4.395  -4.762   9.410
  460   2HD   ARG  58          2HD       ARG  58  -3.732  -6.308   9.984
  461    HE   ARG  58           HE       ARG  58  -3.793  -4.915  12.258
  462   1HH1  ARG  58          1HH1      ARG  58  -5.515  -4.674  13.726
  463   2HH1  ARG  58          2HH1      ARG  58  -7.165  -4.678  13.148
  464   1HH2  ARG  58          1HH2      ARG  58  -6.308  -5.158   9.795
  465   2HH2  ARG  58          2HH2      ARG  58  -7.611  -4.951  10.939
  466    H    ALA  59           H        ALA  59  -0.720  -3.500   6.173
  467    HA   ALA  59           HA       ALA  59   1.267  -5.484   5.586
  468   1HB   ALA  59          1HB       ALA  59   0.079  -3.232   3.927
  469   2HB   ALA  59          2HB       ALA  59   0.984  -4.631   3.297
  470   3HB   ALA  59          3HB       ALA  59  -0.591  -4.872   4.093
  471    H    VAL  60           H        VAL  60   1.287  -1.865   5.551
  472    HA   VAL  60           HA       VAL  60   4.005  -1.540   4.858
  473    HB   VAL  60           HB       VAL  60   2.149   0.243   6.454
  474   1HG1  VAL  60          1HG1      VAL  60   4.681   0.968   4.935
  475   2HG1  VAL  60          2HG1      VAL  60   3.574   2.125   5.700
  476   3HG1  VAL  60          3HG1      VAL  60   4.490   0.984   6.705
  477   1HG2  VAL  60          1HG2      VAL  60   1.339  -0.396   4.205
  478   2HG2  VAL  60          2HG2      VAL  60   1.794   1.324   4.253
  479   3HG2  VAL  60          3HG2      VAL  60   2.885   0.137   3.500
  480    H    ASN  61           H        ASN  61   2.378  -2.149   7.971
  481    HA   ASN  61           HA       ASN  61   4.408  -1.545   9.740
  482   1HB   ASN  61          1HB       ASN  61   2.045  -2.218  10.286
  483   2HB   ASN  61          2HB       ASN  61   2.497  -3.902   9.942
  484   2HD2  ASN  61          2HD2      ASN  61   1.531  -2.653  12.370
  485   1HD2  ASN  61          1HD2      ASN  61   2.728  -2.975  13.604
  486    H    LEU  62           H        LEU  62   3.634  -4.863   8.500
  487    HA   LEU  62           HA       LEU  62   5.948  -6.115   9.380
  488   1HB   LEU  62          1HB       LEU  62   4.086  -6.626   7.085
  489   2HB   LEU  62          2HB       LEU  62   5.593  -7.566   7.208
  490    HG   LEU  62           HG       LEU  62   4.761  -7.795   9.756
  491   1HD1  LEU  62          1HD1      LEU  62   2.187  -7.607   8.135
  492   2HD1  LEU  62          2HD1      LEU  62   2.312  -8.172   9.817
  493   3HD1  LEU  62          3HD1      LEU  62   2.692  -6.481   9.418
  494   1HD2  LEU  62          1HD2      LEU  62   5.317  -9.620   8.162
  495   2HD2  LEU  62          2HD2      LEU  62   3.835  -9.999   9.071
  496   3HD2  LEU  62          3HD2      LEU  62   3.725  -9.430   7.388
  497    H    LEU  63           H        LEU  63   5.530  -4.039   6.546
  498    HA   LEU  63           HA       LEU  63   8.154  -4.457   5.468
  499   1HB   LEU  63          1HB       LEU  63   6.846  -3.613   3.860
  500   2HB   LEU  63          2HB       LEU  63   5.887  -2.631   4.993
  501    HG   LEU  63           HG       LEU  63   8.650  -1.721   4.399
  502   1HD1  LEU  63          1HD1      LEU  63   7.836  -2.352   2.165
  503   2HD1  LEU  63          2HD1      LEU  63   6.353  -1.406   2.434
  504   3HD1  LEU  63          3HD1      LEU  63   7.927  -0.585   2.329
  505   1HD2  LEU  63          1HD2      LEU  63   7.173  -0.507   5.960
  506   2HD2  LEU  63          2HD2      LEU  63   7.536   0.486   4.530
  507   3HD2  LEU  63          3HD2      LEU  63   5.959  -0.323   4.671
  508    H    SER  64           H        SER  64   6.763  -2.083   7.747
  509    HA   SER  64           HA       SER  64   8.818  -0.257   7.926
  510   1HB   SER  64          1HB       SER  64   6.517  -0.276   9.087
  511   2HB   SER  64          2HB       SER  64   7.290  -1.275  10.341
  512    HG   SER  64           HG       SER  64   7.381   0.958  10.873
  513    H    LEU  65           H        LEU  65   8.509  -3.490   9.508
  514    HA   LEU  65           HA       LEU  65  11.106  -3.222  10.791
  515   1HB   LEU  65          1HB       LEU  65   9.335  -5.670  10.437
  516   2HB   LEU  65          2HB       LEU  65  10.660  -5.460  11.607
  517    HG   LEU  65           HG       LEU  65   8.387  -3.498  11.618
  518   1HD1  LEU  65          1HD1      LEU  65   7.273  -5.663  11.460
  519   2HD1  LEU  65          2HD1      LEU  65   8.214  -6.264  12.847
  520   3HD1  LEU  65          3HD1      LEU  65   7.040  -4.946  13.071
  521   1HD2  LEU  65          1HD2      LEU  65  10.291  -3.087  13.079
  522   2HD2  LEU  65          2HD2      LEU  65   8.823  -3.405  14.029
  523   3HD2  LEU  65          3HD2      LEU  65  10.056  -4.673  13.853
  524    H    ARG  66           H        ARG  66   9.845  -4.414   7.736
  525    HA   ARG  66           HA       ARG  66  12.063  -6.133   7.047
  526   1HB   ARG  66          1HB       ARG  66   9.684  -6.281   6.211
  527   2HB   ARG  66          2HB       ARG  66  10.037  -4.852   5.210
  528   1HG   ARG  66          1HG       ARG  66  11.989  -7.025   4.914
  529   2HG   ARG  66          2HG       ARG  66  10.332  -7.466   4.435
  530   1HD   ARG  66          1HD       ARG  66  10.482  -5.076   3.208
  531   2HD   ARG  66          2HD       ARG  66  12.212  -5.479   3.219
  532    HE   ARG  66           HE       ARG  66  10.445  -7.646   2.411
  533   1HH1  ARG  66          1HH1      ARG  66  10.572  -8.445   0.295
  534   2HH1  ARG  66          2HH1      ARG  66  11.446  -7.550  -0.928
  535   1HH2  ARG  66          1HH2      ARG  66  12.385  -4.960   1.225
  536   2HH2  ARG  66          2HH2      ARG  66  12.467  -5.587  -0.404
  537    H    VAL  67           H        VAL  67  11.034  -2.814   6.001
  538    HA   VAL  67           HA       VAL  67  13.633  -2.359   4.714
  539    HB   VAL  67           HB       VAL  67  11.255  -1.830   3.812
  540   1HG1  VAL  67          1HG1      VAL  67  10.406  -0.440   5.633
  541   2HG1  VAL  67          2HG1      VAL  67  11.723   0.728   5.369
  542   3HG1  VAL  67          3HG1      VAL  67  10.480   0.491   4.125
  543   1HG2  VAL  67          1HG2      VAL  67  13.386  -1.379   2.711
  544   2HG2  VAL  67          2HG2      VAL  67  12.240  -0.047   2.436
  545   3HG2  VAL  67          3HG2      VAL  67  13.550   0.140   3.625
  546    H    LYS  68           H        LYS  68  13.558  -2.781   7.592
  547    HA   LYS  68           HA       LYS  68  15.097  -0.444   8.345
  548   1HB   LYS  68          1HB       LYS  68  12.551  -0.006   8.871
  549   2HB   LYS  68          2HB       LYS  68  12.861  -1.114  10.229
  550   1HG   LYS  68          1HG       LYS  68  13.164   1.071  11.077
  551   2HG   LYS  68          2HG       LYS  68  14.799   0.405  10.849
  552   1HD   LYS  68          1HD       LYS  68  14.328   1.532   8.384
  553   2HD   LYS  68          2HD       LYS  68  13.443   2.649   9.451
  554   1HE   LYS  68          1HE       LYS  68  16.347   1.812   9.821
  555   2HE   LYS  68          2HE       LYS  68  15.812   3.338   9.085
  556   1HZ   LYS  68          1HZ       LYS  68  15.192   2.450  11.805
  557   2HZ   LYS  68          2HZ       LYS  68  16.326   3.556  11.397
  558   3HZ   LYS  68          3HZ       LYS  68  14.749   3.883  11.122
  559    H    LYS  69           H        LYS  69  16.771  -1.685   8.657
  560    HA   LYS  69           HA       LYS  69  16.903  -4.260   9.803
  561   1HB   LYS  69          1HB       LYS  69  18.667  -2.275   8.794
  562   2HB   LYS  69          2HB       LYS  69  19.237  -2.678  10.431
  563   1HG   LYS  69          1HG       LYS  69  18.463  -4.958   8.653
  564   2HG   LYS  69          2HG       LYS  69  19.961  -4.087   8.249
  565   1HD   LYS  69          1HD       LYS  69  20.692  -4.429  10.644
  566   2HD   LYS  69          2HD       LYS  69  19.281  -5.494  10.851
  567   1HE   LYS  69          1HE       LYS  69  21.137  -6.018   8.542
  568   2HE   LYS  69          2HE       LYS  69  21.675  -6.469  10.174
  569   1HZ   LYS  69          1HZ       LYS  69  19.171  -7.347   8.919
  570   2HZ   LYS  69          2HZ       LYS  69  20.526  -8.227   9.069
  571   3HZ   LYS  69          3HZ       LYS  69  19.730  -7.775  10.412
  572    H    MET  70           H        MET  70  17.465  -4.987  11.834
  573    HA   MET  70           HA       MET  70  17.452  -3.251  14.151
  574   1HB   MET  70          1HB       MET  70  15.019  -3.491  13.273
  575   2HB   MET  70          2HB       MET  70  15.118  -5.146  13.922
  576   1HG   MET  70          1HG       MET  70  15.807  -2.742  15.622
  577   2HG   MET  70          2HG       MET  70  14.130  -3.279  15.426
  578   1HE   MET  70          1HE       MET  70  14.465  -3.260  18.214
  579   2HE   MET  70          2HE       MET  70  15.555  -4.394  19.048
  580   3HE   MET  70          3HE       MET  70  16.228  -3.068  18.069

  No H/Q in entry =         580
  Start of MODEL    2
    1    H1   ALA   1           H1       ALA   1  -5.185  19.091   0.184
    2    H2   ALA   1           H2       ALA   1  -4.103  18.223   1.024
    3    H3   ALA   1           H3       ALA   1  -4.494  17.747  -0.465
    4    HA   ALA   1           HA       ALA   1  -5.556  16.343   1.100
    5   1HB   ALA   1          1HB       ALA   1  -6.621  18.963   2.228
    6   2HB   ALA   1          2HB       ALA   1  -6.999  17.335   2.841
    7   3HB   ALA   1          3HB       ALA   1  -5.335  17.960   2.940
    8    H    SER   2           H        SER   2  -5.998  17.022  -1.483
    9    HA   SER   2           HA       SER   2  -8.432  16.076  -2.292
   10   1HB   SER   2          1HB       SER   2  -9.421  18.082  -1.188
   11   2HB   SER   2          2HB       SER   2  -8.521  19.111  -2.329
   12    HG   SER   2           HG       SER   2 -10.534  18.877  -3.190
   13    H    ASN   3           H        ASN   3  -5.903  15.703  -3.227
   14    HA   ASN   3           HA       ASN   3  -6.129  16.649  -6.000
   15   1HB   ASN   3          1HB       ASN   3  -4.643  18.233  -4.782
   16   2HB   ASN   3          2HB       ASN   3  -3.551  16.878  -4.420
   17   2HD2  ASN   3          2HD2      ASN   3  -2.089  16.243  -5.920
   18   1HD2  ASN   3          1HD2      ASN   3  -1.974  16.877  -7.548
   19    H    TYR   4           H        TYR   4  -6.498  14.064  -4.437
   20    HA   TYR   4           HA       TYR   4  -4.380  12.263  -5.161
   21   1HB   TYR   4          1HB       TYR   4  -6.050  10.588  -4.407
   22   2HB   TYR   4          2HB       TYR   4  -5.699  11.848  -3.212
   23    HD1  TYR   4           HD1      TYR   4  -8.239  10.356  -5.411
   24    HD2  TYR   4           HD2      TYR   4  -7.405  13.502  -2.560
   25    HE1  TYR   4           HE1      TYR   4 -10.665  10.961  -5.376
   26    HE2  TYR   4           HE2      TYR   4  -9.838  14.074  -2.470
   27    HH   TYR   4           HH       TYR   4 -11.865  13.546  -3.174
   28    H    ASP   5           H        ASP   5  -3.966  12.083  -7.308
   29    HA   ASP   5           HA       ASP   5  -5.770  10.564  -8.935
   30   1HB   ASP   5          1HB       ASP   5  -6.603  13.082  -8.977
   31   2HB   ASP   5          2HB       ASP   5  -5.245  13.294 -10.100
   32    HD2  ASP   5           HD2      ASP   5  -7.090  11.939 -12.637
   33    H    CYS   6           H        CYS   6  -3.354   9.805  -8.273
   34    HA   CYS   6           HA       CYS   6  -1.577  10.640 -10.469
   35   1HB   CYS   6          1HB       CYS   6   0.255   9.990  -8.868
   36   2HB   CYS   6          2HB       CYS   6  -0.654  11.493  -8.569
   37    H    CYS   7           H        CYS   7  -1.333   7.724  -8.282
   38    HA   CYS   7           HA       CYS   7  -0.684   5.842 -10.117
   39   1HB   CYS   7          1HB       CYS   7  -2.372   5.826  -7.650
   40   2HB   CYS   7          2HB       CYS   7  -2.512   4.415  -8.729
   41    H    LEU   8           H        LEU   8  -1.869   4.359 -11.479
   42    HA   LEU   8           HA       LEU   8  -3.573   5.261 -13.305
   43   1HB   LEU   8          1HB       LEU   8  -2.806   2.647 -12.278
   44   2HB   LEU   8          2HB       LEU   8  -4.440   2.628 -12.983
   45    HG   LEU   8           HG       LEU   8  -2.143   3.961 -14.423
   46   1HD1  LEU   8          1HD1      LEU   8  -1.374   1.695 -13.889
   47   2HD1  LEU   8          2HD1      LEU   8  -2.864   1.015 -14.587
   48   3HD1  LEU   8          3HD1      LEU   8  -1.697   1.861 -15.630
   49   1HD2  LEU   8          1HD2      LEU   8  -4.411   4.398 -15.227
   50   2HD2  LEU   8          2HD2      LEU   8  -3.483   3.458 -16.419
   51   3HD2  LEU   8          3HD2      LEU   8  -4.696   2.648 -15.400
   52    H    SER   9           H        SER   9  -4.564   4.170 -10.159
   53    HA   SER   9           HA       SER   9  -6.782   5.736  -9.872
   54   1HB   SER   9          1HB       SER   9  -8.529   3.810  -9.725
   55   2HB   SER   9          2HB       SER   9  -8.174   4.514 -11.320
   56    HG   SER   9           HG       SER   9  -7.984   2.377 -11.715
   57    H    TYR  10           H        TYR  10  -7.216   5.847  -7.732
   58    HA   TYR  10           HA       TYR  10  -5.777   4.646  -5.718
   59   1HB   TYR  10          1HB       TYR  10  -7.365   6.603  -5.593
   60   2HB   TYR  10          2HB       TYR  10  -8.710   5.450  -5.611
   61    HD1  TYR  10           HD1      TYR  10  -9.613   4.695  -3.572
   62    HD2  TYR  10           HD2      TYR  10  -5.571   6.263  -3.694
   63    HE1  TYR  10           HE1      TYR  10  -9.447   4.473  -1.082
   64    HE2  TYR  10           HE2      TYR  10  -5.423   6.063  -1.211
   65    HH   TYR  10           HH       TYR  10  -6.584   5.555   0.728
   66    H    ILE  11           H        ILE  11  -6.734   3.162  -3.935
   67    HA   ILE  11           HA       ILE  11  -7.489   0.676  -5.157
   68    HB   ILE  11           HB       ILE  11  -5.923   0.817  -3.291
   69   1HG1  ILE  11          1HG1      ILE  11  -6.673  -1.131  -2.144
   70   2HG1  ILE  11          2HG1      ILE  11  -8.377  -0.758  -2.497
   71   1HG2  ILE  11          1HG2      ILE  11  -6.979   2.573  -1.927
   72   2HG2  ILE  11          2HG2      ILE  11  -8.343   1.484  -1.576
   73   3HG2  ILE  11          3HG2      ILE  11  -6.719   1.104  -0.964
   74   1HD1  ILE  11          1HD1      ILE  11  -6.267  -1.542  -4.546
   75   2HD1  ILE  11          2HD1      ILE  11  -7.552  -2.602  -3.935
   76   3HD1  ILE  11          3HD1      ILE  11  -7.972  -1.170  -4.897
   77    H    GLN  12           H        GLN  12  -9.373   1.061  -6.232
   78    HA   GLN  12           HA       GLN  12 -11.755   1.949  -5.187
   79   1HB   GLN  12          1HB       GLN  12 -11.008   0.091  -7.387
   80   2HB   GLN  12          2HB       GLN  12 -12.705   0.068  -6.851
   81   1HG   GLN  12          1HG       GLN  12 -11.945   2.800  -7.006
   82   2HG   GLN  12          2HG       GLN  12 -11.323   2.025  -8.479
   83   2HE2  GLN  12          2HE2      GLN  12 -13.534   3.972  -8.093
   84   1HE2  GLN  12          1HE2      GLN  12 -14.953   3.226  -8.802
   85    H    THR  13           H        THR  13 -10.139  -0.962  -4.378
   86    HA   THR  13           HA       THR  13 -12.160  -1.667  -2.462
   87    HB   THR  13           HB       THR  13 -11.819  -3.263  -4.895
   88    HG1  THR  13           HG1      THR  13 -14.069  -3.645  -4.154
   89   1HG2  THR  13          1HG2      THR  13 -12.230  -4.711  -2.261
   90   2HG2  THR  13          2HG2      THR  13 -12.484  -5.412  -3.871
   91   3HG2  THR  13          3HG2      THR  13 -10.854  -4.923  -3.370
   92    HA   PRO  14           HA       PRO  14  -8.265  -2.221  -0.413
   93   1HB   PRO  14          1HB       PRO  14  -9.374  -2.130   2.135
   94   2HB   PRO  14          2HB       PRO  14  -8.842  -0.726   1.153
   95   1HG   PRO  14          1HG       PRO  14 -11.604  -1.758   1.599
   96   2HG   PRO  14          2HG       PRO  14 -11.042  -0.058   1.479
   97   1HD   PRO  14          1HD       PRO  14 -12.268  -1.436  -0.583
   98   2HD   PRO  14          2HD       PRO  14 -11.061  -0.141  -0.853
   99    H    LEU  15           H        LEU  15  -7.466  -4.221  -0.703
  100    HA   LEU  15           HA       LEU  15  -9.091  -6.494   0.158
  101   1HB   LEU  15          1HB       LEU  15  -7.378  -7.795  -1.156
  102   2HB   LEU  15          2HB       LEU  15  -8.442  -6.699  -2.070
  103    HG   LEU  15           HG       LEU  15  -5.852  -5.529  -1.192
  104   1HD1  LEU  15          1HD1      LEU  15  -5.242  -7.870  -1.738
  105   2HD1  LEU  15          2HD1      LEU  15  -6.078  -7.725  -3.301
  106   3HD1  LEU  15          3HD1      LEU  15  -4.630  -6.740  -2.971
  107   1HD2  LEU  15          1HD2      LEU  15  -7.331  -5.635  -3.853
  108   2HD2  LEU  15          2HD2      LEU  15  -7.427  -4.316  -2.660
  109   3HD2  LEU  15          3HD2      LEU  15  -5.894  -4.646  -3.500
  110    HA   PRO  16           HA       PRO  16  -6.686  -7.177   3.765
  111   1HB   PRO  16          1HB       PRO  16  -6.616  -9.886   4.118
  112   2HB   PRO  16          2HB       PRO  16  -8.123  -8.922   4.255
  113   1HG   PRO  16          1HG       PRO  16  -7.142 -10.491   1.869
  114   2HG   PRO  16          2HG       PRO  16  -8.768 -10.541   2.623
  115   1HD   PRO  16          1HD       PRO  16  -8.226  -9.023   0.406
  116   2HD   PRO  16          2HD       PRO  16  -9.347  -8.446   1.676
  117    H    SER  17           H        SER  17  -4.571  -7.753   4.624
  118    HA   SER  17           HA       SER  17  -2.485  -7.770   2.714
  119   1HB   SER  17          1HB       SER  17  -0.968  -8.014   4.618
  120   2HB   SER  17          2HB       SER  17  -2.218  -6.788   4.939
  121    HG   SER  17           HG       SER  17  -1.705  -8.492   6.653
  122    H    ARG  18           H        ARG  18  -4.409 -10.323   3.683
  123    HA   ARG  18           HA       ARG  18  -2.555 -12.523   3.512
  124   1HB   ARG  18          1HB       ARG  18  -5.570 -12.214   3.570
  125   2HB   ARG  18          2HB       ARG  18  -4.781 -13.794   3.350
  126   1HG   ARG  18          1HG       ARG  18  -3.504 -13.397   5.470
  127   2HG   ARG  18          2HG       ARG  18  -4.421 -11.891   5.703
  128   1HD   ARG  18          1HD       ARG  18  -6.516 -13.115   5.854
  129   2HD   ARG  18          2HD       ARG  18  -5.717 -14.634   5.394
  130    HE   ARG  18           HE       ARG  18  -5.720 -13.351   7.986
  131   1HH1  ARG  18          1HH1      ARG  18  -4.675 -14.336   9.734
  132   2HH1  ARG  18          2HH1      ARG  18  -3.549 -15.647   9.464
  133   1HH2  ARG  18          1HH2      ARG  18  -3.872 -15.633   5.999
  134   2HH2  ARG  18          2HH2      ARG  18  -3.099 -16.374   7.377
  135    H    ALA  19           H        ALA  19  -3.584 -10.409   1.197
  136    HA   ALA  19           HA       ALA  19  -3.420 -12.436  -0.952
  137   1HB   ALA  19          1HB       ALA  19  -4.851 -10.922  -2.278
  138   2HB   ALA  19          2HB       ALA  19  -4.952  -9.804  -0.897
  139   3HB   ALA  19          3HB       ALA  19  -5.665 -11.431  -0.779
  140    H    ILE  20           H        ILE  20  -1.475 -10.255   0.607
  141    HA   ILE  20           HA       ILE  20  -0.575  -8.786  -1.777
  142    HB   ILE  20           HB       ILE  20  -0.443  -8.358   1.198
  143   1HG1  ILE  20          1HG1      ILE  20  -1.220  -6.103   0.565
  144   2HG1  ILE  20          2HG1      ILE  20  -1.229  -6.607  -1.142
  145   1HG2  ILE  20          1HG2      ILE  20   1.844  -7.937   0.356
  146   2HG2  ILE  20          2HG2      ILE  20   1.184  -6.848  -0.888
  147   3HG2  ILE  20          3HG2      ILE  20   1.061  -6.416   0.829
  148   1HD1  ILE  20          1HD1      ILE  20  -3.067  -7.628   1.025
  149   2HD1  ILE  20          2HD1      ILE  20  -3.520  -6.475  -0.240
  150   3HD1  ILE  20          3HD1      ILE  20  -3.077  -8.131  -0.683
  151    H    VAL  21           H        VAL  21   0.946  -9.729  -2.883
  152    HA   VAL  21           HA       VAL  21   2.764 -11.610  -1.627
  153    HB   VAL  21           HB       VAL  21   1.573 -11.281  -4.127
  154   1HG1  VAL  21          1HG1      VAL  21   3.490 -10.074  -5.035
  155   2HG1  VAL  21          2HG1      VAL  21   4.577 -11.378  -4.498
  156   3HG1  VAL  21          3HG1      VAL  21   3.378 -11.683  -5.766
  157   1HG2  VAL  21          1HG2      VAL  21   1.826 -13.321  -2.793
  158   2HG2  VAL  21          2HG2      VAL  21   2.444 -13.571  -4.441
  159   3HG2  VAL  21          3HG2      VAL  21   3.580 -13.315  -3.098
  160    H    GLY  22           H        GLY  22   3.047  -8.435  -3.251
  161   1HA   GLY  22          1HA       GLY  22   5.642  -7.934  -3.524
  162   2HA   GLY  22          2HA       GLY  22   5.489  -7.819  -1.756
  163    H    PHE  23           H        PHE  23   5.475  -5.681  -1.306
  164    HA   PHE  23           HA       PHE  23   4.008  -3.830  -3.044
  165   1HB   PHE  23          1HB       PHE  23   2.843  -2.899  -1.107
  166   2HB   PHE  23          2HB       PHE  23   2.420  -4.599  -1.367
  167    HD1  PHE  23           HD1      PHE  23   3.941  -6.342   0.011
  168    HD2  PHE  23           HD2      PHE  23   3.252  -2.189   1.041
  169    HE1  PHE  23           HE1      PHE  23   4.608  -6.834   2.361
  170    HE2  PHE  23           HE2      PHE  23   3.860  -2.707   3.410
  171    HZ   PHE  23           HZ       PHE  23   4.542  -5.002   4.034
  172    H    THR  24           H        THR  24   4.251  -1.574  -2.318
  173    HA   THR  24           HA       THR  24   6.894  -0.969  -1.146
  174    HB   THR  24           HB       THR  24   6.185   0.309  -3.761
  175    HG1  THR  24           HG1      THR  24   7.533  -1.599  -4.701
  176   1HG2  THR  24          1HG2      THR  24   8.183   0.996  -2.474
  177   2HG2  THR  24          2HG2      THR  24   8.789  -0.677  -2.522
  178   3HG2  THR  24          3HG2      THR  24   8.650   0.261  -4.026
  179    H    ARG  25           H        ARG  25   7.209   1.402  -0.970
  180    HA   ARG  25           HA       ARG  25   4.769   2.629   0.126
  181   1HB   ARG  25          1HB       ARG  25   7.667   3.568   0.299
  182   2HB   ARG  25          2HB       ARG  25   6.296   4.085   1.311
  183   1HG   ARG  25          1HG       ARG  25   6.138   1.822   2.261
  184   2HG   ARG  25          2HG       ARG  25   7.498   1.294   1.241
  185   1HD   ARG  25          1HD       ARG  25   8.768   1.829   3.051
  186   2HD   ARG  25          2HD       ARG  25   8.574   3.500   2.477
  187    HE   ARG  25           HE       ARG  25   6.314   2.849   4.020
  188   1HH1  ARG  25          1HH1      ARG  25   6.076   3.433   6.200
  189   2HH1  ARG  25          2HH1      ARG  25   7.481   3.841   7.157
  190   1HH2  ARG  25          1HH2      ARG  25   9.764   3.337   4.569
  191   2HH2  ARG  25          2HH2      ARG  25   9.550   3.787   6.242
  192    H    GLN  26           H        GLN  26   3.938   4.565  -0.635
  193    HA   GLN  26           HA       GLN  26   5.370   5.830  -2.916
  194   1HB   GLN  26          1HB       GLN  26   3.298   4.450  -3.465
  195   2HB   GLN  26          2HB       GLN  26   2.368   5.639  -2.523
  196   1HG   GLN  26          1HG       GLN  26   3.239   7.444  -4.033
  197   2HG   GLN  26          2HG       GLN  26   4.039   6.197  -5.011
  198   2HE2  GLN  26          2HE2      GLN  26   0.835   6.801  -3.496
  199   1HE2  GLN  26          1HE2      GLN  26  -0.115   6.347  -4.898
  200    H    MET  27           H        MET  27   6.283   7.400  -1.864
  201    HA   MET  27           HA       MET  27   5.175   9.024   0.192
  202   1HB   MET  27          1HB       MET  27   7.300   9.952  -1.741
  203   2HB   MET  27          2HB       MET  27   7.079  10.383  -0.028
  204   1HG   MET  27          1HG       MET  27   8.832   8.966   0.248
  205   2HG   MET  27          2HG       MET  27   7.554   7.740   0.244
  206   1HE   MET  27          1HE       MET  27  10.588   7.034  -0.396
  207   2HE   MET  27          2HE       MET  27   9.269   5.838  -0.437
  208   3HE   MET  27          3HE       MET  27  10.410   5.955  -1.800
  209    H    ALA  28           H        ALA  28   4.536  11.229   0.080
  210    HA   ALA  28           HA       ALA  28   3.031  11.960  -2.313
  211   1HB   ALA  28          1HB       ALA  28   3.200  13.170   0.476
  212   2HB   ALA  28          2HB       ALA  28   1.968  12.018  -0.091
  213   3HB   ALA  28          3HB       ALA  28   2.056  13.649  -0.801
  214    H    ASP  29           H        ASP  29   4.567  12.573  -3.799
  215    HA   ASP  29           HA       ASP  29   5.511  15.129  -3.894
  216   1HB   ASP  29          1HB       ASP  29   7.398  13.476  -2.396
  217   2HB   ASP  29          2HB       ASP  29   8.130  14.170  -3.859
  218    HD2  ASP  29           HD2      ASP  29   8.484  16.537  -1.148
  219    H    GLU  30           H        GLU  30   6.645  11.813  -4.696
  220    HA   GLU  30           HA       GLU  30   7.855  12.482  -7.183
  221   1HB   GLU  30          1HB       GLU  30   7.951  10.405  -5.480
  222   2HB   GLU  30          2HB       GLU  30   6.782   9.743  -6.648
  223   1HG   GLU  30          1HG       GLU  30   8.715  10.852  -8.285
  224   2HG   GLU  30          2HG       GLU  30   9.671  10.220  -6.927
  225    H    ALA  31           H        ALA  31   6.442  10.203  -8.742
  226    HA   ALA  31           HA       ALA  31   4.604  11.526 -10.271
  227   1HB   ALA  31          1HB       ALA  31   3.895   9.264 -10.970
  228   2HB   ALA  31          2HB       ALA  31   5.665   9.365 -10.811
  229   3HB   ALA  31          3HB       ALA  31   4.701   8.570  -9.543
  230    H    CYS  32           H        CYS  32   4.126  10.329  -7.034
  231    HA   CYS  32           HA       CYS  32   1.265  10.933  -7.228
  232   1HB   CYS  32          1HB       CYS  32   2.687   8.840  -5.723
  233   2HB   CYS  32          2HB       CYS  32   1.484   9.768  -4.794
  234    H    ASP  33           H        ASP  33   0.423  12.421  -6.031
  235    HA   ASP  33           HA       ASP  33   2.203  14.059  -4.332
  236   1HB   ASP  33          1HB       ASP  33   0.859  15.046  -6.218
  237   2HB   ASP  33          2HB       ASP  33  -0.612  14.641  -5.307
  238    HD2  ASP  33           HD2      ASP  33   1.573  17.233  -3.255
  239    H    ILE  34           H        ILE  34   0.273  11.421  -3.827
  240    HA   ILE  34           HA       ILE  34  -0.486  12.297  -1.121
  241    HB   ILE  34           HB       ILE  34  -2.448  10.834  -1.225
  242   1HG1  ILE  34          1HG1      ILE  34  -1.958  10.609  -4.196
  243   2HG1  ILE  34          2HG1      ILE  34  -1.502   9.356  -3.017
  244   1HG2  ILE  34          1HG2      ILE  34  -2.656  13.235  -1.620
  245   2HG2  ILE  34          2HG2      ILE  34  -2.391  12.987  -3.363
  246   3HG2  ILE  34          3HG2      ILE  34  -3.848  12.326  -2.580
  247   1HD1  ILE  34          1HD1      ILE  34  -4.314  10.345  -3.564
  248   2HD1  ILE  34          2HD1      ILE  34  -3.635   8.804  -4.125
  249   3HD1  ILE  34          3HD1      ILE  34  -3.857   9.090  -2.387
  250    H    ASN  35           H        ASN  35  -0.567  10.474   0.371
  251    HA   ASN  35           HA       ASN  35   1.664   8.626  -0.119
  252   1HB   ASN  35          1HB       ASN  35  -0.059   9.154   2.331
  253   2HB   ASN  35          2HB       ASN  35   1.234   7.938   2.254
  254   2HD2  ASN  35          2HD2      ASN  35   0.441  11.274   2.598
  255   1HD2  ASN  35          1HD2      ASN  35   2.068  11.903   2.748
  256    H    ALA  36           H        ALA  36   1.357   6.680  -0.895
  257    HA   ALA  36           HA       ALA  36  -1.030   5.214  -0.202
  258   1HB   ALA  36          1HB       ALA  36  -1.617   4.483  -2.474
  259   2HB   ALA  36          2HB       ALA  36  -0.399   5.593  -3.141
  260   3HB   ALA  36          3HB       ALA  36  -1.812   6.238  -2.272
  261    H    ILE  37           H        ILE  37  -0.860   2.919  -0.578
  262    HA   ILE  37           HA       ILE  37   1.976   2.070  -0.697
  263    HB   ILE  37           HB       ILE  37  -0.404   0.836   0.682
  264   1HG1  ILE  37          1HG1      ILE  37   0.031   2.899   1.687
  265   2HG1  ILE  37          2HG1      ILE  37   0.657   1.614   2.748
  266   1HG2  ILE  37          1HG2      ILE  37   1.240  -0.846   0.082
  267   2HG2  ILE  37          2HG2      ILE  37   2.520   0.091   0.889
  268   3HG2  ILE  37          3HG2      ILE  37   1.196  -0.613   1.842
  269   1HD1  ILE  37          1HD1      ILE  37   2.323   3.465   1.026
  270   2HD1  ILE  37          2HD1      ILE  37   2.137   3.596   2.782
  271   3HD1  ILE  37          3HD1      ILE  37   2.948   2.181   2.089
  272    H    ILE  38           H        ILE  38   2.484   1.313  -2.462
  273    HA   ILE  38           HA       ILE  38   0.682   0.300  -4.527
  274    HB   ILE  38           HB       ILE  38   3.520   1.092  -4.090
  275   1HG1  ILE  38          1HG1      ILE  38   2.169   1.518  -6.675
  276   2HG1  ILE  38          2HG1      ILE  38   1.259   2.128  -5.271
  277   1HG2  ILE  38          1HG2      ILE  38   3.902  -1.097  -5.098
  278   2HG2  ILE  38          2HG2      ILE  38   2.786  -0.685  -6.422
  279   3HG2  ILE  38          3HG2      ILE  38   4.312   0.198  -6.237
  280   1HD1  ILE  38          1HD1      ILE  38   4.190   2.707  -5.882
  281   2HD1  ILE  38          2HD1      ILE  38   2.834   3.836  -6.123
  282   3HD1  ILE  38          3HD1      ILE  38   3.280   3.319  -4.480
  283    H    PHE  39           H        PHE  39  -0.251  -1.585  -4.012
  284    HA   PHE  39           HA       PHE  39   1.339  -3.823  -2.974
  285   1HB   PHE  39          1HB       PHE  39  -1.628  -3.355  -3.438
  286   2HB   PHE  39          2HB       PHE  39  -0.959  -4.891  -2.861
  287    HD1  PHE  39           HD1      PHE  39   0.608  -4.779  -0.830
  288    HD2  PHE  39           HD2      PHE  39  -2.201  -1.638  -1.770
  289    HE1  PHE  39           HE1      PHE  39   0.405  -4.249   1.583
  290    HE2  PHE  39           HE2      PHE  39  -2.327  -1.049   0.653
  291    HZ   PHE  39           HZ       PHE  39  -1.098  -2.419   2.329
  292    H    HIS  40           H        HIS  40   1.741  -5.713  -4.063
  293    HA   HIS  40           HA       HIS  40   0.719  -6.034  -6.845
  294   1HB   HIS  40          1HB       HIS  40   3.435  -6.933  -5.831
  295   2HB   HIS  40          2HB       HIS  40   2.878  -6.786  -7.507
  296    HD1  HIS  40           HD1      HIS  40   2.283  -4.035  -8.061
  297    HD2  HIS  40           HD2      HIS  40   4.840  -4.955  -4.982
  298    HE1  HIS  40           HE1      HIS  40   3.983  -2.124  -7.957
  299    HE2  HIS  40           HE2      HIS  40   5.225  -2.567  -5.757
  300    H    THR  41           H        THR  41  -0.906  -7.202  -5.679
  301    HA   THR  41           HA       THR  41  -0.398  -9.480  -4.052
  302    HB   THR  41           HB       THR  41  -2.751  -9.888  -4.341
  303    HG1  THR  41           HG1      THR  41  -3.745  -8.259  -6.038
  304   1HG2  THR  41          1HG2      THR  41  -2.173  -7.971  -2.927
  305   2HG2  THR  41          2HG2      THR  41  -2.229  -6.896  -4.346
  306   3HG2  THR  41          3HG2      THR  41  -3.712  -7.692  -3.773
  307    H    LYS  42           H        LYS  42  -1.647 -11.654  -4.978
  308    HA   LYS  42           HA       LYS  42   0.020 -12.380  -7.274
  309   1HB   LYS  42          1HB       LYS  42  -0.412 -14.673  -6.793
  310   2HB   LYS  42          2HB       LYS  42   0.145 -13.816  -5.336
  311   1HG   LYS  42          1HG       LYS  42  -2.792 -14.078  -5.666
  312   2HG   LYS  42          2HG       LYS  42  -1.890 -15.580  -5.358
  313   1HD   LYS  42          1HD       LYS  42  -0.817 -14.356  -3.385
  314   2HD   LYS  42          2HD       LYS  42  -2.060 -13.104  -3.624
  315   1HE   LYS  42          1HE       LYS  42  -3.442 -14.368  -2.368
  316   2HE   LYS  42          2HE       LYS  42  -3.469 -15.537  -3.705
  317   1HZ   LYS  42          1HZ       LYS  42  -1.503 -16.545  -2.693
  318   2HZ   LYS  42          2HZ       LYS  42  -1.619 -15.495  -1.439
  319   3HZ   LYS  42          3HZ       LYS  42  -2.798 -16.589  -1.710
  320    H    LYS  43           H        LYS  43  -3.083 -11.233  -6.876
  321    HA   LYS  43           HA       LYS  43  -3.919 -12.181  -9.532
  322   1HB   LYS  43          1HB       LYS  43  -4.680 -13.704  -7.562
  323   2HB   LYS  43          2HB       LYS  43  -5.802 -12.375  -7.186
  324   1HG   LYS  43          1HG       LYS  43  -7.215 -13.482  -8.534
  325   2HG   LYS  43          2HG       LYS  43  -6.275 -12.744  -9.852
  326   1HD   LYS  43          1HD       LYS  43  -5.120 -14.705 -10.313
  327   2HD   LYS  43          2HD       LYS  43  -5.317 -15.335  -8.659
  328   1HE   LYS  43          1HE       LYS  43  -7.870 -14.930 -10.123
  329   2HE   LYS  43          2HE       LYS  43  -6.802 -16.154 -10.845
  330   1HZ   LYS  43          1HZ       LYS  43  -7.561 -16.087  -8.012
  331   2HZ   LYS  43          2HZ       LYS  43  -8.277 -17.020  -9.138
  332   3HZ   LYS  43          3HZ       LYS  43  -6.702 -17.257  -8.773
  333    H    ARG  44           H        ARG  44  -2.984  -9.591  -8.576
  334    HA   ARG  44           HA       ARG  44  -5.013  -7.908  -9.724
  335   1HB   ARG  44          1HB       ARG  44  -5.263  -8.311  -6.981
  336   2HB   ARG  44          2HB       ARG  44  -4.223  -6.870  -7.081
  337   1HG   ARG  44          1HG       ARG  44  -5.908  -5.705  -8.404
  338   2HG   ARG  44          2HG       ARG  44  -6.935  -7.159  -8.423
  339   1HD   ARG  44          1HD       ARG  44  -6.786  -7.087  -5.835
  340   2HD   ARG  44          2HD       ARG  44  -6.143  -5.443  -6.031
  341    HE   ARG  44           HE       ARG  44  -8.225  -4.712  -6.542
  342   1HH1  ARG  44          1HH1      ARG  44 -10.449  -4.817  -7.058
  343   2HH1  ARG  44          2HH1      ARG  44 -11.216  -6.368  -7.300
  344   1HH2  ARG  44          1HH2      ARG  44  -8.312  -8.241  -6.827
  345   2HH2  ARG  44          2HH2      ARG  44 -10.021  -8.288  -7.171
  346    H    LYS  45           H        LYS  45  -4.009  -6.230 -10.600
  347    HA   LYS  45           HA       LYS  45  -1.156  -6.059 -10.688
  348   1HB   LYS  45          1HB       LYS  45  -3.239  -5.385 -12.293
  349   2HB   LYS  45          2HB       LYS  45  -2.827  -3.792 -11.614
  350   1HG   LYS  45          1HG       LYS  45  -0.739  -3.764 -12.578
  351   2HG   LYS  45          2HG       LYS  45  -0.560  -5.533 -12.495
  352   1HD   LYS  45          1HD       LYS  45  -2.269  -5.706 -14.337
  353   2HD   LYS  45          2HD       LYS  45  -2.195  -3.934 -14.487
  354   1HE   LYS  45          1HE       LYS  45  -0.725  -4.854 -16.158
  355   2HE   LYS  45          2HE       LYS  45   0.297  -4.160 -14.882
  356   1HZ   LYS  45          1HZ       LYS  45   0.536  -6.386 -13.992
  357   2HZ   LYS  45          2HZ       LYS  45  -0.373  -6.989 -15.221
  358   3HZ   LYS  45          3HZ       LYS  45   1.066  -6.288 -15.534
  359    H    SER  46           H        SER  46  -0.425  -3.425 -10.555
  360    HA   SER  46           HA       SER  46   0.132  -2.993  -7.872
  361   1HB   SER  46          1HB       SER  46   0.382  -0.510  -8.969
  362   2HB   SER  46          2HB       SER  46   1.606  -1.799  -9.062
  363    HG   SER  46           HG       SER  46   1.068  -0.829 -11.139
  364    H    VAL  47           H        VAL  47  -1.005  -2.511  -6.296
  365    HA   VAL  47           HA       VAL  47  -3.520  -0.933  -6.572
  366    HB   VAL  47           HB       VAL  47  -2.670  -3.379  -5.125
  367   1HG1  VAL  47          1HG1      VAL  47  -3.295  -2.042  -3.183
  368   2HG1  VAL  47          2HG1      VAL  47  -4.863  -1.662  -3.937
  369   3HG1  VAL  47          3HG1      VAL  47  -4.487  -3.326  -3.456
  370   1HG2  VAL  47          1HG2      VAL  47  -4.025  -3.453  -7.157
  371   2HG2  VAL  47          2HG2      VAL  47  -4.926  -4.119  -5.777
  372   3HG2  VAL  47          3HG2      VAL  47  -5.287  -2.481  -6.364
  373    H    CYS  48           H        CYS  48  -3.066   1.149  -6.060
  374    HA   CYS  48           HA       CYS  48  -1.115   1.700  -3.925
  375   1HB   CYS  48          1HB       CYS  48  -2.514   3.806  -5.553
  376   2HB   CYS  48          2HB       CYS  48  -0.891   3.831  -4.820
  377    H    ALA  49           H        ALA  49  -2.101   1.488  -1.985
  378    HA   ALA  49           HA       ALA  49  -4.693   2.857  -1.586
  379   1HB   ALA  49          1HB       ALA  49  -4.515   0.404  -1.297
  380   2HB   ALA  49          2HB       ALA  49  -4.860   1.217   0.252
  381   3HB   ALA  49          3HB       ALA  49  -3.211   0.640  -0.107
  382    H    ASP  50           H        ASP  50  -4.933   4.504  -0.121
  383    HA   ASP  50           HA       ASP  50  -2.683   5.861   0.899
  384   1HB   ASP  50          1HB       ASP  50  -5.466   6.264   0.807
  385   2HB   ASP  50          2HB       ASP  50  -5.017   6.344   2.525
  386    HD2  ASP  50           HD2      ASP  50  -3.452   9.385   2.105
  387    HA   PRO  51           HA       PRO  51  -1.806   3.255   4.447
  388   1HB   PRO  51          1HB       PRO  51   0.274   4.658   5.544
  389   2HB   PRO  51          2HB       PRO  51   0.395   3.690   4.039
  390   1HG   PRO  51          1HG       PRO  51  -0.021   6.665   4.303
  391   2HG   PRO  51          2HG       PRO  51   1.134   5.802   3.236
  392   1HD   PRO  51          1HD       PRO  51  -1.302   6.728   2.359
  393   2HD   PRO  51          2HD       PRO  51  -0.586   5.212   1.732
  394    H    LYS  52           H        LYS  52  -4.069   4.608   4.705
  395    HA   LYS  52           HA       LYS  52  -3.979   5.810   7.422
  396   1HB   LYS  52          1HB       LYS  52  -6.140   6.326   5.373
  397   2HB   LYS  52          2HB       LYS  52  -5.744   7.258   6.837
  398   1HG   LYS  52          1HG       LYS  52  -4.330   7.237   4.173
  399   2HG   LYS  52          2HG       LYS  52  -5.104   8.599   5.016
  400   1HD   LYS  52          1HD       LYS  52  -3.047   7.570   6.702
  401   2HD   LYS  52          2HD       LYS  52  -2.374   7.772   5.066
  402   1HE   LYS  52          1HE       LYS  52  -2.372  10.025   5.241
  403   2HE   LYS  52          2HE       LYS  52  -4.001  10.062   5.950
  404   1HZ   LYS  52          1HZ       LYS  52  -3.040   9.260   7.997
  405   2HZ   LYS  52          2HZ       LYS  52  -1.538   9.269   7.346
  406   3HZ   LYS  52          3HZ       LYS  52  -2.345  10.673   7.563
  407    H    GLN  53           H        GLN  53  -4.908   3.105   5.680
  408    HA   GLN  53           HA       GLN  53  -7.357   2.506   7.218
  409   1HB   GLN  53          1HB       GLN  53  -5.924   1.231   4.853
  410   2HB   GLN  53          2HB       GLN  53  -7.346   0.517   5.654
  411   1HG   GLN  53          1HG       GLN  53  -8.772   1.909   4.594
  412   2HG   GLN  53          2HG       GLN  53  -7.753   3.330   4.908
  413   2HE2  GLN  53          2HE2      GLN  53  -9.189   2.099   2.437
  414   1HE2  GLN  53          1HE2      GLN  53  -7.966   2.196   1.179
  415    H    ASN  54           H        ASN  54  -7.376   0.072   7.860
  416    HA   ASN  54           HA       ASN  54  -5.146  -0.411   9.633
  417   1HB   ASN  54          1HB       ASN  54  -6.547  -2.318  10.376
  418   2HB   ASN  54          2HB       ASN  54  -7.371  -0.747  10.465
  419   2HD2  ASN  54          2HD2      ASN  54  -7.717  -3.922   9.552
  420   1HD2  ASN  54          1HD2      ASN  54  -8.933  -3.782   8.298
  421    H    TRP  55           H        TRP  55  -6.544  -2.011   6.698
  422    HA   TRP  55           HA       TRP  55  -4.760  -4.225   6.745
  423   1HB   TRP  55          1HB       TRP  55  -5.608  -4.702   4.549
  424   2HB   TRP  55          2HB       TRP  55  -6.950  -4.113   5.540
  425    HD1  TRP  55           HD1      TRP  55  -7.811  -1.554   4.990
  426    HE1  TRP  55           HE1      TRP  55  -7.678  -0.147   2.878
  427    HE3  TRP  55           HE3      TRP  55  -4.320  -4.269   2.519
  428    HZ2  TRP  55           HZ2      TRP  55  -6.593  -0.439   0.278
  429    HZ3  TRP  55           HZ3      TRP  55  -4.037  -3.900   0.069
  430    HH2  TRP  55           HH2      TRP  55  -5.153  -1.972  -1.041
  431    H    VAL  56           H        VAL  56  -4.696  -1.140   4.946
  432    HA   VAL  56           HA       VAL  56  -2.287  -1.423   3.606
  433    HB   VAL  56           HB       VAL  56  -3.543   1.124   4.714
  434   1HG1  VAL  56          1HG1      VAL  56  -1.642   0.585   2.382
  435   2HG1  VAL  56          2HG1      VAL  56  -2.325   2.171   2.804
  436   3HG1  VAL  56          3HG1      VAL  56  -1.180   1.377   3.907
  437   1HG2  VAL  56          1HG2      VAL  56  -3.624  -0.209   1.974
  438   2HG2  VAL  56          2HG2      VAL  56  -4.984  -0.157   3.121
  439   3HG2  VAL  56          3HG2      VAL  56  -4.384   1.344   2.384
  440    H    LYS  57           H        LYS  57  -2.845   0.392   6.711
  441    HA   LYS  57           HA       LYS  57  -0.152   0.822   7.270
  442   1HB   LYS  57          1HB       LYS  57  -0.769   1.469   9.416
  443   2HB   LYS  57          2HB       LYS  57  -2.193   1.835   8.412
  444   1HG   LYS  57          1HG       LYS  57  -3.252  -0.257   9.184
  445   2HG   LYS  57          2HG       LYS  57  -1.840  -0.578  10.218
  446   1HD   LYS  57          1HD       LYS  57  -3.439   1.961  10.496
  447   2HD   LYS  57          2HD       LYS  57  -3.940   0.451  11.297
  448   1HE   LYS  57          1HE       LYS  57  -1.988   0.379  12.637
  449   2HE   LYS  57          2HE       LYS  57  -1.105   1.497  11.576
  450   1HZ   LYS  57          1HZ       LYS  57  -3.514   2.153  13.128
  451   2HZ   LYS  57          2HZ       LYS  57  -1.988   2.607  13.511
  452   3HZ   LYS  57          3HZ       LYS  57  -2.686   3.180  12.144
  453    H    ARG  58           H        ARG  58  -2.188  -2.065   8.128
  454    HA   ARG  58           HA       ARG  58  -0.299  -3.404   9.632
  455   1HB   ARG  58          1HB       ARG  58  -2.606  -4.294   7.918
  456   2HB   ARG  58          2HB       ARG  58  -1.526  -5.501   8.658
  457   1HG   ARG  58          1HG       ARG  58  -2.114  -4.868  10.849
  458   2HG   ARG  58          2HG       ARG  58  -2.725  -3.278  10.330
  459   1HD   ARG  58          1HD       ARG  58  -4.791  -4.110   9.954
  460   2HD   ARG  58          2HD       ARG  58  -4.140  -5.443   8.976
  461    HE   ARG  58           HE       ARG  58  -4.923  -5.504  11.757
  462   1HH1  ARG  58          1HH1      ARG  58  -4.805  -7.466  12.897
  463   2HH1  ARG  58          2HH1      ARG  58  -3.846  -8.783  12.271
  464   1HH2  ARG  58          1HH2      ARG  58  -2.792  -7.082   9.419
  465   2HH2  ARG  58          2HH2      ARG  58  -2.719  -8.571  10.325
  466    H    ALA  59           H        ALA  59  -0.813  -3.549   6.039
  467    HA   ALA  59           HA       ALA  59   1.268  -5.411   5.560
  468   1HB   ALA  59          1HB       ALA  59   0.045  -3.232   3.837
  469   2HB   ALA  59          2HB       ALA  59   1.022  -4.604   3.259
  470   3HB   ALA  59          3HB       ALA  59  -0.563  -4.894   4.016
  471    H    VAL  60           H        VAL  60   1.193  -1.786   5.572
  472    HA   VAL  60           HA       VAL  60   3.944  -1.415   5.038
  473    HB   VAL  60           HB       VAL  60   1.991   0.384   6.507
  474   1HG1  VAL  60          1HG1      VAL  60   4.606   1.099   5.112
  475   2HG1  VAL  60          2HG1      VAL  60   3.459   2.264   5.802
  476   3HG1  VAL  60          3HG1      VAL  60   4.324   1.140   6.869
  477   1HG2  VAL  60          1HG2      VAL  60   1.311  -0.277   4.214
  478   2HG2  VAL  60          2HG2      VAL  60   1.762   1.443   4.272
  479   3HG2  VAL  60          3HG2      VAL  60   2.895   0.249   3.595
  480    H    ASN  61           H        ASN  61   2.222  -2.129   8.063
  481    HA   ASN  61           HA       ASN  61   4.154  -1.457   9.925
  482   1HB   ASN  61          1HB       ASN  61   1.734  -2.184  10.247
  483   2HB   ASN  61          2HB       ASN  61   2.289  -3.858  10.034
  484   2HD2  ASN  61          2HD2      ASN  61   2.244  -1.061  12.079
  485   1HD2  ASN  61          1HD2      ASN  61   2.972  -1.788  13.492
  486    H    LEU  62           H        LEU  62   3.527  -4.784   8.614
  487    HA   LEU  62           HA       LEU  62   5.923  -5.902   9.509
  488   1HB   LEU  62          1HB       LEU  62   4.079  -6.637   7.252
  489   2HB   LEU  62          2HB       LEU  62   5.574  -7.549   7.571
  490    HG   LEU  62           HG       LEU  62   4.597  -7.447  10.076
  491   1HD1  LEU  62          1HD1      LEU  62   2.551  -6.220   9.444
  492   2HD1  LEU  62          2HD1      LEU  62   2.125  -7.516   8.302
  493   3HD1  LEU  62          3HD1      LEU  62   2.153  -7.843  10.048
  494   1HD2  LEU  62          1HD2      LEU  62   5.259  -9.458   8.811
  495   2HD2  LEU  62          2HD2      LEU  62   3.726  -9.724   9.674
  496   3HD2  LEU  62          3HD2      LEU  62   3.717  -9.408   7.923
  497    H    LEU  63           H        LEU  63   5.286  -4.150   6.453
  498    HA   LEU  63           HA       LEU  63   7.874  -4.367   5.353
  499   1HB   LEU  63          1HB       LEU  63   6.249  -3.617   3.922
  500   2HB   LEU  63          2HB       LEU  63   5.581  -2.471   5.110
  501    HG   LEU  63           HG       LEU  63   8.304  -1.893   4.053
  502   1HD1  LEU  63          1HD1      LEU  63   7.113  -2.586   2.010
  503   2HD1  LEU  63          2HD1      LEU  63   5.779  -1.476   2.405
  504   3HD1  LEU  63          3HD1      LEU  63   7.389  -0.829   2.018
  505   1HD2  LEU  63          1HD2      LEU  63   7.195  -0.467   5.721
  506   2HD2  LEU  63          2HD2      LEU  63   7.433   0.408   4.190
  507   3HD2  LEU  63          3HD2      LEU  63   5.823  -0.228   4.611
  508    H    SER  64           H        SER  64   6.560  -1.975   7.699
  509    HA   SER  64           HA       SER  64   8.673  -0.217   7.798
  510   1HB   SER  64          1HB       SER  64   6.288  -0.694   9.237
  511   2HB   SER  64          2HB       SER  64   7.588  -0.672  10.454
  512    HG   SER  64           HG       SER  64   6.742   1.451  10.051
  513    H    LEU  65           H        LEU  65   8.275  -3.356   9.572
  514    HA   LEU  65           HA       LEU  65  10.860  -3.008  10.825
  515   1HB   LEU  65          1HB       LEU  65  10.466  -4.907  12.000
  516   2HB   LEU  65          2HB       LEU  65   8.817  -4.315  11.687
  517    HG   LEU  65           HG       LEU  65   9.160  -5.979   9.556
  518   1HD1  LEU  65          1HD1      LEU  65  11.389  -6.703  10.361
  519   2HD1  LEU  65          2HD1      LEU  65  10.668  -7.209  11.907
  520   3HD1  LEU  65          3HD1      LEU  65  10.228  -8.051  10.402
  521   1HD2  LEU  65          1HD2      LEU  65   7.250  -5.942  11.123
  522   2HD2  LEU  65          2HD2      LEU  65   7.811  -7.606  10.841
  523   3HD2  LEU  65          3HD2      LEU  65   8.238  -6.768  12.351
  524    H    ARG  66           H        ARG  66   9.813  -4.194   7.744
  525    HA   ARG  66           HA       ARG  66  12.153  -5.778   7.147
  526   1HB   ARG  66          1HB       ARG  66   9.917  -6.303   6.298
  527   2HB   ARG  66          2HB       ARG  66   9.868  -4.740   5.448
  528   1HG   ARG  66          1HG       ARG  66  10.395  -6.189   3.740
  529   2HG   ARG  66          2HG       ARG  66  12.007  -5.629   4.246
  530   1HD   ARG  66          1HD       ARG  66  10.818  -8.138   5.403
  531   2HD   ARG  66          2HD       ARG  66  11.598  -8.158   3.806
  532    HE   ARG  66           HE       ARG  66  13.368  -6.948   5.630
  533   1HH1  ARG  66          1HH1      ARG  66  15.178  -8.135   6.428
  534   2HH1  ARG  66          2HH1      ARG  66  15.099  -9.877   6.514
  535   1HH2  ARG  66          1HH2      ARG  66  11.896 -10.115   5.175
  536   2HH2  ARG  66          2HH2      ARG  66  13.269 -10.982   5.815
  537    H    VAL  67           H        VAL  67  10.792  -2.764   5.677
  538    HA   VAL  67           HA       VAL  67  13.400  -2.038   4.505
  539    HB   VAL  67           HB       VAL  67  10.611  -0.894   4.119
  540   1HG1  VAL  67          1HG1      VAL  67  12.375   0.735   3.540
  541   2HG1  VAL  67          2HG1      VAL  67  13.130  -0.466   2.467
  542   3HG1  VAL  67          3HG1      VAL  67  11.527   0.187   2.081
  543   1HG2  VAL  67          1HG2      VAL  67  10.793  -3.205   3.251
  544   2HG2  VAL  67          2HG2      VAL  67  10.638  -2.045   1.916
  545   3HG2  VAL  67          3HG2      VAL  67  12.227  -2.737   2.306
  546    H    LYS  68           H        LYS  68  13.183  -2.007   7.320
  547    HA   LYS  68           HA       LYS  68  14.429   0.408   7.928
  548   1HB   LYS  68          1HB       LYS  68  11.565   0.593   8.224
  549   2HB   LYS  68          2HB       LYS  68  12.367   0.691   9.811
  550   1HG   LYS  68          1HG       LYS  68  13.865   2.492   8.602
  551   2HG   LYS  68          2HG       LYS  68  12.477   2.592   7.493
  552   1HD   LYS  68          1HD       LYS  68  11.941   4.157   9.215
  553   2HD   LYS  68          2HD       LYS  68  11.016   2.701   9.655
  554   1HE   LYS  68          1HE       LYS  68  13.301   2.131  10.972
  555   2HE   LYS  68          2HE       LYS  68  13.442   3.903  10.966
  556   1HZ   LYS  68          1HZ       LYS  68  11.221   3.966  11.912
  557   2HZ   LYS  68          2HZ       LYS  68  11.221   2.322  11.999
  558   3HZ   LYS  68          3HZ       LYS  68  12.309   3.186  12.858
  559    H    LYS  69           H        LYS  69  15.794  -1.312   8.598
  560    HA   LYS  69           HA       LYS  69  15.175  -3.079  10.739
  561   1HB   LYS  69          1HB       LYS  69  17.754  -2.056   9.563
  562   2HB   LYS  69          2HB       LYS  69  17.743  -3.042  11.044
  563   1HG   LYS  69          1HG       LYS  69  16.307  -4.726   9.699
  564   2HG   LYS  69          2HG       LYS  69  16.810  -3.813   8.257
  565   1HD   LYS  69          1HD       LYS  69  19.220  -4.098   9.074
  566   2HD   LYS  69          2HD       LYS  69  18.584  -5.254  10.268
  567   1HE   LYS  69          1HE       LYS  69  18.833  -6.843   8.665
  568   2HE   LYS  69          2HE       LYS  69  17.444  -6.095   7.846
  569   1HZ   LYS  69          1HZ       LYS  69  19.009  -4.618   6.758
  570   2HZ   LYS  69          2HZ       LYS  69  20.267  -5.389   7.480
  571   3HZ   LYS  69          3HZ       LYS  69  19.317  -6.183   6.407
  572    H    MET  70           H        MET  70  15.737  -3.000  12.874
  573    HA   MET  70           HA       MET  70  16.747  -0.715  14.287
  574   1HB   MET  70          1HB       MET  70  14.455   0.060  13.482
  575   2HB   MET  70          2HB       MET  70  13.757  -1.205  14.522
  576   1HG   MET  70          1HG       MET  70  13.631   0.866  15.700
  577   2HG   MET  70          2HG       MET  70  14.873  -0.131  16.478
  578   1HE   MET  70          1HE       MET  70  14.068   3.226  16.122
  579   2HE   MET  70          2HE       MET  70  15.006   2.579  17.490
  580   3HE   MET  70          3HE       MET  70  15.675   3.898  16.496

  No H/Q in entry =         580
  Start of MODEL    3
    1    H1   ALA   1           H1       ALA   1 -14.016  20.763 -10.111
    2    H2   ALA   1           H2       ALA   1 -15.172  21.132  -9.006
    3    H3   ALA   1           H3       ALA   1 -13.625  21.621  -8.797
    4    HA   ALA   1           HA       ALA   1 -14.022  19.761  -7.376
    5   1HB   ALA   1          1HB       ALA   1 -14.675  18.396 -10.023
    6   2HB   ALA   1          2HB       ALA   1 -15.846  18.804  -8.745
    7   3HB   ALA   1          3HB       ALA   1 -14.572  17.599  -8.433
    8    H    SER   2           H        SER   2 -12.544  17.628  -7.561
    9    HA   SER   2           HA       SER   2 -10.459  17.177  -9.173
   10   1HB   SER   2          1HB       SER   2  -9.766  19.556  -7.489
   11   2HB   SER   2          2HB       SER   2  -8.553  18.259  -7.607
   12    HG   SER   2           HG       SER   2  -8.633  20.065  -9.321
   13    H    ASN   3           H        ASN   3  -9.271  15.503  -8.420
   14    HA   ASN   3           HA       ASN   3  -9.164  14.940  -5.552
   15   1HB   ASN   3          1HB       ASN   3 -11.239  13.822  -6.531
   16   2HB   ASN   3          2HB       ASN   3 -10.130  12.839  -7.512
   17   2HD2  ASN   3          2HD2      ASN   3  -8.565  11.476  -6.372
   18   1HD2  ASN   3          1HD2      ASN   3  -8.902  10.906  -4.748
   19    H    TYR   4           H        TYR   4  -7.537  13.414  -5.056
   20    HA   TYR   4           HA       TYR   4  -5.097  13.576  -6.495
   21   1HB   TYR   4          1HB       TYR   4  -5.925  11.443  -4.492
   22   2HB   TYR   4          2HB       TYR   4  -4.302  12.086  -4.790
   23    HD1  TYR   4           HD1      TYR   4  -4.313  14.886  -4.533
   24    HD2  TYR   4           HD2      TYR   4  -6.852  12.026  -2.492
   25    HE1  TYR   4           HE1      TYR   4  -4.723  16.554  -2.701
   26    HE2  TYR   4           HE2      TYR   4  -7.252  13.686  -0.668
   27    HH   TYR   4           HH       TYR   4  -6.785  15.690   0.130
   28    H    ASP   5           H        ASP   5  -3.945  11.834  -7.527
   29    HA   ASP   5           HA       ASP   5  -5.016   9.289  -8.168
   30   1HB   ASP   5          1HB       ASP   5  -6.489  11.032  -9.531
   31   2HB   ASP   5          2HB       ASP   5  -5.073  11.065 -10.604
   32    HD2  ASP   5           HD2      ASP   5  -6.166   8.209 -12.091
   33    H    CYS   6           H        CYS   6  -2.836   8.999  -7.441
   34    HA   CYS   6           HA       CYS   6  -0.605   9.985  -9.015
   35   1HB   CYS   6          1HB       CYS   6  -0.628   7.830  -6.880
   36   2HB   CYS   6          2HB       CYS   6   0.697   8.938  -7.320
   37    H    CYS   7           H        CYS   7  -1.202   6.669  -7.846
   38    HA   CYS   7           HA       CYS   7  -0.103   5.366 -10.152
   39   1HB   CYS   7          1HB       CYS   7  -0.023   3.720  -8.717
   40   2HB   CYS   7          2HB       CYS   7  -0.788   4.786  -7.513
   41    H    LEU   8           H        LEU   8  -1.630   3.552 -11.126
   42    HA   LEU   8           HA       LEU   8  -3.295   4.516 -13.017
   43   1HB   LEU   8          1HB       LEU   8  -2.609   2.244 -13.043
   44   2HB   LEU   8          2HB       LEU   8  -3.388   1.912 -11.476
   45    HG   LEU   8           HG       LEU   8  -5.283   2.913 -13.467
   46   1HD1  LEU   8          1HD1      LEU   8  -3.790   1.774 -15.055
   47   2HD1  LEU   8          2HD1      LEU   8  -3.873   0.288 -14.078
   48   3HD1  LEU   8          3HD1      LEU   8  -5.329   0.899 -14.895
   49   1HD2  LEU   8          1HD2      LEU   8  -5.911   1.861 -11.336
   50   2HD2  LEU   8          2HD2      LEU   8  -6.573   0.949 -12.712
   51   3HD2  LEU   8          3HD2      LEU   8  -5.140   0.342 -11.850
   52    H    SER   9           H        SER   9  -4.596   3.199  -9.892
   53    HA   SER   9           HA       SER   9  -6.342   5.433  -9.515
   54   1HB   SER   9          1HB       SER   9  -8.465   4.283  -9.650
   55   2HB   SER   9          2HB       SER   9  -7.656   4.143 -11.229
   56    HG   SER   9           HG       SER   9  -8.588   2.107 -10.520
   57    H    TYR  10           H        TYR  10  -6.720   5.602  -7.440
   58    HA   TYR  10           HA       TYR  10  -5.539   4.343  -5.352
   59   1HB   TYR  10          1HB       TYR  10  -7.038   6.389  -5.322
   60   2HB   TYR  10          2HB       TYR  10  -8.431   5.293  -5.319
   61    HD1  TYR  10           HD1      TYR  10  -5.282   6.108  -3.440
   62    HD2  TYR  10           HD2      TYR  10  -9.268   4.425  -3.292
   63    HE1  TYR  10           HE1      TYR  10  -5.139   5.990  -0.954
   64    HE2  TYR  10           HE2      TYR  10  -9.136   4.322  -0.795
   65    HH   TYR  10           HH       TYR  10  -7.916   4.739   0.981
   66    H    ILE  11           H        ILE  11  -6.115   2.711  -3.802
   67    HA   ILE  11           HA       ILE  11  -7.110   0.348  -4.900
   68    HB   ILE  11           HB       ILE  11  -5.570   0.483  -3.018
   69   1HG1  ILE  11          1HG1      ILE  11  -6.347  -1.431  -1.849
   70   2HG1  ILE  11          2HG1      ILE  11  -8.046  -1.049  -2.221
   71   1HG2  ILE  11          1HG2      ILE  11  -6.602   2.275  -1.692
   72   2HG2  ILE  11          2HG2      ILE  11  -7.989   1.219  -1.333
   73   3HG2  ILE  11          3HG2      ILE  11  -6.380   0.819  -0.702
   74   1HD1  ILE  11          1HD1      ILE  11  -5.935  -1.909  -4.235
   75   2HD1  ILE  11          2HD1      ILE  11  -7.235  -2.941  -3.607
   76   3HD1  ILE  11          3HD1      ILE  11  -7.633  -1.529  -4.606
   77    H    GLN  12           H        GLN  12  -9.003   0.795  -5.953
   78    HA   GLN  12           HA       GLN  12 -11.313   1.827  -4.897
   79   1HB   GLN  12          1HB       GLN  12 -12.498   0.660  -6.678
   80   2HB   GLN  12          2HB       GLN  12 -10.966   1.346  -7.269
   81   1HG   GLN  12          1HG       GLN  12  -9.908  -0.898  -7.050
   82   2HG   GLN  12          2HG       GLN  12 -11.473  -1.566  -6.535
   83   2HE2  GLN  12          2HE2      GLN  12 -12.830  -2.293  -8.051
   84   1HE2  GLN  12          1HE2      GLN  12 -12.684  -2.001  -9.772
   85    H    THR  13           H        THR  13  -9.803  -1.110  -4.092
   86    HA   THR  13           HA       THR  13 -11.872  -1.804  -2.209
   87    HB   THR  13           HB       THR  13 -11.445  -3.357  -4.675
   88    HG1  THR  13           HG1      THR  13 -13.720  -3.747  -4.013
   89   1HG2  THR  13          1HG2      THR  13 -11.942  -4.856  -2.089
   90   2HG2  THR  13          2HG2      THR  13 -12.137  -5.524  -3.721
   91   3HG2  THR  13          3HG2      THR  13 -10.528  -5.041  -3.153
   92    HA   PRO  14           HA       PRO  14  -7.973  -2.411  -0.174
   93   1HB   PRO  14          1HB       PRO  14  -9.112  -2.288   2.371
   94   2HB   PRO  14          2HB       PRO  14  -8.478  -0.912   1.409
   95   1HG   PRO  14          1HG       PRO  14 -11.271  -1.666   1.963
   96   2HG   PRO  14          2HG       PRO  14 -10.584  -0.052   1.579
   97   1HD   PRO  14          1HD       PRO  14 -11.993  -1.776  -0.189
   98   2HD   PRO  14          2HD       PRO  14 -10.976  -0.383  -0.668
   99    H    LEU  15           H        LEU  15  -7.245  -4.473  -0.382
  100    HA   LEU  15           HA       LEU  15  -8.971  -6.591   0.687
  101   1HB   LEU  15          1HB       LEU  15  -7.468  -8.084  -0.719
  102   2HB   LEU  15          2HB       LEU  15  -8.615  -7.015  -1.562
  103    HG   LEU  15           HG       LEU  15  -5.965  -5.788  -1.163
  104   1HD1  LEU  15          1HD1      LEU  15  -6.317  -8.288  -2.862
  105   2HD1  LEU  15          2HD1      LEU  15  -4.884  -7.231  -2.841
  106   3HD1  LEU  15          3HD1      LEU  15  -5.327  -8.164  -1.389
  107   1HD2  LEU  15          1HD2      LEU  15  -7.708  -6.375  -3.604
  108   2HD2  LEU  15          2HD2      LEU  15  -7.745  -4.878  -2.641
  109   3HD2  LEU  15          3HD2      LEU  15  -6.288  -5.300  -3.573
  110    HA   PRO  16           HA       PRO  16  -6.226  -7.331   4.013
  111   1HB   PRO  16          1HB       PRO  16  -6.234 -10.068   4.371
  112   2HB   PRO  16          2HB       PRO  16  -7.597  -8.988   4.808
  113   1HG   PRO  16          1HG       PRO  16  -7.304 -10.752   2.404
  114   2HG   PRO  16          2HG       PRO  16  -8.779 -10.397   3.359
  115   1HD   PRO  16          1HD       PRO  16  -8.121  -9.225   0.906
  116   2HD   PRO  16          2HD       PRO  16  -9.186  -8.467   2.130
  117    H    SER  17           H        SER  17  -4.027  -7.785   4.502
  118    HA   SER  17           HA       SER  17  -2.189  -7.975   2.472
  119   1HB   SER  17          1HB       SER  17  -0.512  -8.513   4.199
  120   2HB   SER  17          2HB       SER  17  -1.588  -7.187   4.699
  121    HG   SER  17           HG       SER  17  -1.228  -8.925   6.328
  122    H    ARG  18           H        ARG  18  -4.021 -10.552   3.769
  123    HA   ARG  18           HA       ARG  18  -2.447 -12.812   3.155
  124   1HB   ARG  18          1HB       ARG  18  -5.346 -12.211   3.544
  125   2HB   ARG  18          2HB       ARG  18  -4.954 -13.701   2.650
  126   1HG   ARG  18          1HG       ARG  18  -3.465 -14.417   4.478
  127   2HG   ARG  18          2HG       ARG  18  -3.826 -12.917   5.368
  128   1HD   ARG  18          1HD       ARG  18  -6.293 -13.598   5.217
  129   2HD   ARG  18          2HD       ARG  18  -5.717 -15.190   4.679
  130    HE   ARG  18           HE       ARG  18  -4.379 -14.277   7.054
  131   1HH1  ARG  18          1HH1      ARG  18  -4.793 -15.283   9.057
  132   2HH1  ARG  18          2HH1      ARG  18  -6.206 -16.292   9.249
  133   1HH2  ARG  18          1HH2      ARG  18  -7.333 -15.856   5.970
  134   2HH2  ARG  18          2HH2      ARG  18  -7.638 -16.616   7.514
  135    H    ALA  19           H        ALA  19  -3.929 -10.491   1.033
  136    HA   ALA  19           HA       ALA  19  -3.523 -12.290  -1.283
  137   1HB   ALA  19          1HB       ALA  19  -5.122 -10.802  -2.422
  138   2HB   ALA  19          2HB       ALA  19  -5.835 -11.512  -0.952
  139   3HB   ALA  19          3HB       ALA  19  -5.271  -9.823  -0.940
  140    H    ILE  20           H        ILE  20  -1.803 -10.078   0.436
  141    HA   ILE  20           HA       ILE  20  -0.703  -8.667  -1.911
  142    HB   ILE  20           HB       ILE  20  -0.792  -8.065   1.048
  143   1HG1  ILE  20          1HG1      ILE  20  -1.404  -5.771  -0.011
  144   2HG1  ILE  20          2HG1      ILE  20  -1.736  -6.741  -1.466
  145   1HG2  ILE  20          1HG2      ILE  20   1.543  -7.727   0.339
  146   2HG2  ILE  20          2HG2      ILE  20   0.992  -6.696  -1.003
  147   3HG2  ILE  20          3HG2      ILE  20   0.758  -6.170   0.679
  148   1HD1  ILE  20          1HD1      ILE  20  -3.079  -7.057   1.227
  149   2HD1  ILE  20          2HD1      ILE  20  -3.803  -6.296  -0.202
  150   3HD1  ILE  20          3HD1      ILE  20  -3.411  -8.024  -0.231
  151    H    VAL  21           H        VAL  21   0.837  -9.711  -2.754
  152    HA   VAL  21           HA       VAL  21   2.577 -11.425  -1.148
  153    HB   VAL  21           HB       VAL  21   3.557 -12.046  -3.376
  154   1HG1  VAL  21          1HG1      VAL  21   1.970 -13.375  -2.075
  155   2HG1  VAL  21          2HG1      VAL  21   0.608 -12.524  -2.846
  156   3HG1  VAL  21          3HG1      VAL  21   1.675 -13.565  -3.819
  157   1HG2  VAL  21          1HG2      VAL  21   2.851 -10.174  -4.777
  158   2HG2  VAL  21          2HG2      VAL  21   2.218 -11.704  -5.417
  159   3HG2  VAL  21          3HG2      VAL  21   1.145 -10.612  -4.521
  160    H    GLY  22           H        GLY  22   2.781  -8.480  -3.121
  161   1HA   GLY  22          1HA       GLY  22   5.228  -7.800  -3.653
  162   2HA   GLY  22          2HA       GLY  22   5.361  -7.817  -1.879
  163    H    PHE  23           H        PHE  23   5.750  -5.526  -1.888
  164    HA   PHE  23           HA       PHE  23   4.001  -3.683  -3.096
  165   1HB   PHE  23          1HB       PHE  23   2.952  -2.718  -1.122
  166   2HB   PHE  23          2HB       PHE  23   2.429  -4.394  -1.368
  167    HD1  PHE  23           HD1      PHE  23   3.646  -6.252  -0.010
  168    HD2  PHE  23           HD2      PHE  23   3.842  -2.010   0.843
  169    HE1  PHE  23           HE1      PHE  23   4.455  -6.775   2.309
  170    HE2  PHE  23           HE2      PHE  23   4.556  -2.536   3.185
  171    HZ   PHE  23           HZ       PHE  23   4.923  -4.886   3.863
  172    H    THR  24           H        THR  24   4.426  -1.451  -2.447
  173    HA   THR  24           HA       THR  24   7.033  -1.051  -1.072
  174    HB   THR  24           HB       THR  24   6.490   0.341  -3.678
  175    HG1  THR  24           HG1      THR  24   7.728  -1.543  -4.662
  176   1HG2  THR  24          1HG2      THR  24   8.445   0.961  -2.273
  177   2HG2  THR  24          2HG2      THR  24   9.006  -0.728  -2.310
  178   3HG2  THR  24          3HG2      THR  24   8.974   0.232  -3.807
  179    H    ARG  25           H        ARG  25   7.448   1.359  -0.828
  180    HA   ARG  25           HA       ARG  25   5.035   2.596   0.316
  181   1HB   ARG  25          1HB       ARG  25   8.018   3.205   0.486
  182   2HB   ARG  25          2HB       ARG  25   6.748   4.141   1.310
  183   1HG   ARG  25          1HG       ARG  25   6.849   1.187   1.770
  184   2HG   ARG  25          2HG       ARG  25   8.090   2.202   2.541
  185   1HD   ARG  25          1HD       ARG  25   5.726   3.605   3.019
  186   2HD   ARG  25          2HD       ARG  25   5.239   1.905   3.196
  187    HE   ARG  25           HE       ARG  25   7.631   2.017   4.532
  188   1HH1  ARG  25          1HH1      ARG  25   7.911   2.413   6.740
  189   2HH1  ARG  25          2HH1      ARG  25   6.703   3.310   7.629
  190   1HH2  ARG  25          1HH2      ARG  25   4.604   3.795   4.880
  191   2HH2  ARG  25          2HH2      ARG  25   4.844   4.088   6.585
  192    H    GLN  26           H        GLN  26   4.300   4.629  -0.327
  193    HA   GLN  26           HA       GLN  26   5.717   5.910  -2.601
  194   1HB   GLN  26          1HB       GLN  26   3.615   4.580  -3.244
  195   2HB   GLN  26          2HB       GLN  26   2.704   5.802  -2.324
  196   1HG   GLN  26          1HG       GLN  26   3.793   7.565  -3.796
  197   2HG   GLN  26          2HG       GLN  26   4.418   6.236  -4.798
  198   2HE2  GLN  26          2HE2      GLN  26   1.363   7.113  -3.160
  199   1HE2  GLN  26          1HE2      GLN  26   0.314   6.816  -4.529
  200    H    MET  27           H        MET  27   6.500   7.658  -1.772
  201    HA   MET  27           HA       MET  27   5.270   9.114   0.417
  202   1HB   MET  27          1HB       MET  27   7.539  10.078  -1.347
  203   2HB   MET  27          2HB       MET  27   7.186  10.509   0.345
  204   1HG   MET  27          1HG       MET  27   8.804   9.017   0.868
  205   2HG   MET  27          2HG       MET  27   7.589   7.778   0.513
  206   1HE   MET  27          1HE       MET  27   8.866   5.817  -0.441
  207   2HE   MET  27          2HE       MET  27  10.364   5.955  -1.393
  208   3HE   MET  27          3HE       MET  27  10.296   6.614   0.259
  209    H    ALA  28           H        ALA  28   4.913  11.496   0.237
  210    HA   ALA  28           HA       ALA  28   3.312  12.170  -2.140
  211   1HB   ALA  28          1HB       ALA  28   3.604  13.429   0.629
  212   2HB   ALA  28          2HB       ALA  28   2.300  12.327   0.126
  213   3HB   ALA  28          3HB       ALA  28   2.448  13.934  -0.628
  214    H    ASP  29           H        ASP  29   4.520  13.092  -3.702
  215    HA   ASP  29           HA       ASP  29   5.655  15.551  -3.572
  216   1HB   ASP  29          1HB       ASP  29   7.575  13.616  -2.532
  217   2HB   ASP  29          2HB       ASP  29   8.182  14.398  -4.008
  218    HD2  ASP  29           HD2      ASP  29   8.512  16.374  -0.786
  219    H    GLU  30           H        GLU  30   6.759  12.394  -4.863
  220    HA   GLU  30           HA       GLU  30   7.487  13.315  -7.430
  221   1HB   GLU  30          1HB       GLU  30   7.932  11.084  -6.007
  222   2HB   GLU  30          2HB       GLU  30   6.607  10.482  -7.032
  223   1HG   GLU  30          1HG       GLU  30   8.221  11.915  -8.804
  224   2HG   GLU  30          2HG       GLU  30   9.390  11.112  -7.733
  225    H    ALA  31           H        ALA  31   5.941  11.118  -8.956
  226    HA   ALA  31           HA       ALA  31   3.871  12.541 -10.096
  227   1HB   ALA  31          1HB       ALA  31   3.119  10.337 -10.921
  228   2HB   ALA  31          2HB       ALA  31   4.891  10.486 -11.003
  229   3HB   ALA  31          3HB       ALA  31   4.138   9.532  -9.703
  230    H    CYS  32           H        CYS  32   3.923  11.036  -6.967
  231    HA   CYS  32           HA       CYS  32   1.003  11.272  -6.664
  232   1HB   CYS  32          1HB       CYS  32   2.338   9.132  -6.005
  233   2HB   CYS  32          2HB       CYS  32   2.902  10.116  -4.632
  234    H    ASP  33           H        ASP  33   0.162  12.723  -5.336
  235    HA   ASP  33           HA       ASP  33   1.978  14.653  -4.042
  236   1HB   ASP  33          1HB       ASP  33   0.201  15.427  -5.628
  237   2HB   ASP  33          2HB       ASP  33  -1.017  14.806  -4.491
  238    HD2  ASP  33           HD2      ASP  33   1.100  17.813  -2.986
  239    H    ILE  34           H        ILE  34   0.291  11.836  -3.273
  240    HA   ILE  34           HA       ILE  34   0.002  12.613  -0.451
  241    HB   ILE  34           HB       ILE  34  -2.062  11.775  -0.188
  242   1HG1  ILE  34          1HG1      ILE  34  -1.685  10.016  -2.595
  243   2HG1  ILE  34          2HG1      ILE  34  -1.785   9.550  -0.879
  244   1HG2  ILE  34          1HG2      ILE  34  -2.230  13.734  -1.625
  245   2HG2  ILE  34          2HG2      ILE  34  -2.206  12.697  -3.072
  246   3HG2  ILE  34          3HG2      ILE  34  -3.572  12.613  -1.939
  247   1HD1  ILE  34          1HD1      ILE  34  -4.072  10.613  -2.570
  248   2HD1  ILE  34          2HD1      ILE  34  -3.851   8.920  -2.096
  249   3HD1  ILE  34          3HD1      ILE  34  -4.172  10.144  -0.854
  250    H    ASN  35           H        ASN  35  -0.163  10.500   0.902
  251    HA   ASN  35           HA       ASN  35   2.018   8.729   0.040
  252   1HB   ASN  35          1HB       ASN  35   0.461   9.044   2.627
  253   2HB   ASN  35          2HB       ASN  35   1.759   7.858   2.371
  254   2HD2  ASN  35          2HD2      ASN  35   3.537   8.477   3.372
  255   1HD2  ASN  35          1HD2      ASN  35   4.176  10.107   3.446
  256    H    ALA  36           H        ALA  36   1.717   6.726  -0.681
  257    HA   ALA  36           HA       ALA  36  -0.756   5.323  -0.088
  258   1HB   ALA  36          1HB       ALA  36  -1.254   4.661  -2.401
  259   2HB   ALA  36          2HB       ALA  36   0.043   5.729  -2.981
  260   3HB   ALA  36          3HB       ALA  36  -1.387   6.419  -2.177
  261    H    ILE  37           H        ILE  37  -0.651   3.018  -0.568
  262    HA   ILE  37           HA       ILE  37   2.156   2.089  -0.527
  263    HB   ILE  37           HB       ILE  37  -0.375   0.891   0.588
  264   1HG1  ILE  37          1HG1      ILE  37   0.150   2.737   1.846
  265   2HG1  ILE  37          2HG1      ILE  37   0.804   1.351   2.750
  266   1HG2  ILE  37          1HG2      ILE  37   1.100  -0.904  -0.109
  267   2HG2  ILE  37          2HG2      ILE  37   2.438  -0.191   0.823
  268   3HG2  ILE  37          3HG2      ILE  37   1.006  -0.823   1.662
  269   1HD1  ILE  37          1HD1      ILE  37   2.413   3.354   1.155
  270   2HD1  ILE  37          2HD1      ILE  37   2.297   3.310   2.921
  271   3HD1  ILE  37          3HD1      ILE  37   3.066   1.968   2.061
  272    H    ILE  38           H        ILE  38   2.800   1.524  -2.312
  273    HA   ILE  38           HA       ILE  38   1.200   0.631  -4.533
  274    HB   ILE  38           HB       ILE  38   4.099   1.069  -3.923
  275   1HG1  ILE  38          1HG1      ILE  38   2.612   2.173  -6.286
  276   2HG1  ILE  38          2HG1      ILE  38   2.172   2.780  -4.673
  277   1HG2  ILE  38          1HG2      ILE  38   4.105  -0.902  -5.388
  278   2HG2  ILE  38          2HG2      ILE  38   3.050  -0.049  -6.540
  279   3HG2  ILE  38          3HG2      ILE  38   4.706   0.524  -6.255
  280   1HD1  ILE  38          1HD1      ILE  38   4.987   2.727  -5.847
  281   2HD1  ILE  38          2HD1      ILE  38   3.955   4.168  -5.691
  282   3HD1  ILE  38          3HD1      ILE  38   4.546   3.336  -4.235
  283    H    PHE  39           H        PHE  39   0.056  -0.999  -3.446
  284    HA   PHE  39           HA       PHE  39   1.289  -3.457  -2.541
  285   1HB   PHE  39          1HB       PHE  39  -1.542  -2.599  -3.133
  286   2HB   PHE  39          2HB       PHE  39  -1.144  -4.300  -2.837
  287    HD1  PHE  39           HD1      PHE  39   0.641  -4.528  -0.809
  288    HD2  PHE  39           HD2      PHE  39  -2.341  -1.443  -1.212
  289    HE1  PHE  39           HE1      PHE  39   0.449  -4.412   1.669
  290    HE2  PHE  39           HE2      PHE  39  -2.474  -1.257   1.292
  291    HZ   PHE  39           HZ       PHE  39  -1.138  -2.815   2.708
  292    H    HIS  40           H        HIS  40   1.301  -5.468  -3.574
  293    HA   HIS  40           HA       HIS  40   0.675  -5.503  -6.490
  294   1HB   HIS  40          1HB       HIS  40   3.152  -6.659  -5.140
  295   2HB   HIS  40          2HB       HIS  40   2.764  -6.713  -6.869
  296    HD1  HIS  40           HD1      HIS  40   2.224  -3.848  -7.565
  297    HD2  HIS  40           HD2      HIS  40   4.980  -4.940  -4.713
  298    HE1  HIS  40           HE1      HIS  40   4.013  -2.010  -7.559
  299    HE2  HIS  40           HE2      HIS  40   5.444  -2.563  -5.522
  300    H    THR  41           H        THR  41  -1.257  -6.476  -5.611
  301    HA   THR  41           HA       THR  41  -1.254  -8.780  -3.974
  302    HB   THR  41           HB       THR  41  -3.543  -8.903  -4.454
  303    HG1  THR  41           HG1      THR  41  -4.101  -7.506  -6.594
  304   1HG2  THR  41          1HG2      THR  41  -2.864  -5.988  -4.999
  305   2HG2  THR  41          2HG2      THR  41  -4.456  -6.602  -4.506
  306   3HG2  THR  41          3HG2      THR  41  -3.077  -6.728  -3.394
  307    H    LYS  42           H        LYS  42  -2.661 -10.779  -5.279
  308    HA   LYS  42           HA       LYS  42  -0.619 -11.711  -7.234
  309   1HB   LYS  42          1HB       LYS  42  -1.209 -12.924  -4.988
  310   2HB   LYS  42          2HB       LYS  42  -2.623 -13.512  -5.895
  311   1HG   LYS  42          1HG       LYS  42  -1.321 -15.141  -6.719
  312   2HG   LYS  42          2HG       LYS  42  -0.428 -13.891  -7.619
  313   1HD   LYS  42          1HD       LYS  42   1.175 -13.649  -5.877
  314   2HD   LYS  42          2HD       LYS  42   0.187 -14.602  -4.742
  315   1HE   LYS  42          1HE       LYS  42   1.455 -15.747  -7.257
  316   2HE   LYS  42          2HE       LYS  42   2.208 -15.807  -5.649
  317   1HZ   LYS  42          1HZ       LYS  42  -0.424 -16.881  -6.323
  318   2HZ   LYS  42          2HZ       LYS  42   0.938 -17.768  -6.161
  319   3HZ   LYS  42          3HZ       LYS  42   0.320 -17.003  -4.861
  320    H    LYS  43           H        LYS  43  -3.723 -10.422  -7.157
  321    HA   LYS  43           HA       LYS  43  -4.280 -11.387  -9.874
  322   1HB   LYS  43          1HB       LYS  43  -5.539 -12.659  -7.906
  323   2HB   LYS  43          2HB       LYS  43  -6.579 -11.216  -7.951
  324   1HG   LYS  43          1HG       LYS  43  -6.383 -11.751 -10.616
  325   2HG   LYS  43          2HG       LYS  43  -6.246 -13.398  -9.954
  326   1HD   LYS  43          1HD       LYS  43  -8.324 -12.800  -8.542
  327   2HD   LYS  43          2HD       LYS  43  -8.517 -11.419  -9.648
  328   1HE   LYS  43          1HE       LYS  43  -8.012 -13.652 -11.300
  329   2HE   LYS  43          2HE       LYS  43  -9.160 -14.223 -10.068
  330   1HZ   LYS  43          1HZ       LYS  43 -10.536 -12.308 -10.619
  331   2HZ   LYS  43          2HZ       LYS  43  -9.470 -11.893 -11.794
  332   3HZ   LYS  43          3HZ       LYS  43 -10.290 -13.296 -11.896
  333    H    ARG  44           H        ARG  44  -3.307  -8.833  -8.571
  334    HA   ARG  44           HA       ARG  44  -4.972  -6.981 -10.077
  335   1HB   ARG  44          1HB       ARG  44  -5.641  -7.422  -7.417
  336   2HB   ARG  44          2HB       ARG  44  -4.520  -6.042  -7.334
  337   1HG   ARG  44          1HG       ARG  44  -5.930  -4.747  -8.823
  338   2HG   ARG  44          2HG       ARG  44  -7.008  -6.140  -9.069
  339   1HD   ARG  44          1HD       ARG  44  -6.694  -5.769  -6.240
  340   2HD   ARG  44          2HD       ARG  44  -7.070  -4.185  -6.953
  341    HE   ARG  44           HE       ARG  44  -8.790  -6.518  -6.805
  342   1HH1  ARG  44          1HH1      ARG  44 -10.926  -6.385  -7.554
  343   2HH1  ARG  44          2HH1      ARG  44 -11.409  -5.059  -8.587
  344   1HH2  ARG  44          1HH2      ARG  44  -8.261  -3.541  -8.611
  345   2HH2  ARG  44          2HH2      ARG  44  -9.909  -3.461  -9.183
  346    H    LYS  45           H        LYS  45  -3.577  -5.751 -11.023
  347    HA   LYS  45           HA       LYS  45  -0.795  -5.734 -10.645
  348   1HB   LYS  45          1HB       LYS  45  -0.758  -3.836 -12.119
  349   2HB   LYS  45          2HB       LYS  45  -1.950  -5.025 -12.694
  350   1HG   LYS  45          1HG       LYS  45  -2.928  -2.750 -11.023
  351   2HG   LYS  45          2HG       LYS  45  -2.430  -2.413 -12.697
  352   1HD   LYS  45          1HD       LYS  45  -3.980  -4.337 -13.393
  353   2HD   LYS  45          2HD       LYS  45  -4.624  -4.280 -11.734
  354   1HE   LYS  45          1HE       LYS  45  -5.238  -1.928 -12.011
  355   2HE   LYS  45          2HE       LYS  45  -4.491  -1.892 -13.622
  356   1HZ   LYS  45          1HZ       LYS  45  -6.074  -3.574 -14.296
  357   2HZ   LYS  45          2HZ       LYS  45  -6.777  -3.527 -12.809
  358   3HZ   LYS  45          3HZ       LYS  45  -6.819  -2.223 -13.781
  359    H    SER  46           H        SER  46   0.277  -3.303 -10.366
  360    HA   SER  46           HA       SER  46   0.568  -2.772  -7.704
  361   1HB   SER  46          1HB       SER  46   0.670  -0.246  -8.991
  362   2HB   SER  46          2HB       SER  46   2.023  -1.326  -8.573
  363    HG   SER  46           HG       SER  46   1.951  -0.787 -10.841
  364    H    VAL  47           H        VAL  47  -0.595  -2.082  -6.152
  365    HA   VAL  47           HA       VAL  47  -3.139  -0.630  -6.737
  366    HB   VAL  47           HB       VAL  47  -2.314  -2.820  -4.920
  367   1HG1  VAL  47          1HG1      VAL  47  -2.895  -1.177  -3.247
  368   2HG1  VAL  47          2HG1      VAL  47  -4.471  -0.911  -4.031
  369   3HG1  VAL  47          3HG1      VAL  47  -4.100  -2.477  -3.284
  370   1HG2  VAL  47          1HG2      VAL  47  -3.628  -3.259  -6.916
  371   2HG2  VAL  47          2HG2      VAL  47  -4.545  -3.689  -5.455
  372   3HG2  VAL  47          3HG2      VAL  47  -4.917  -2.184  -6.322
  373    H    CYS  48           H        CYS  48  -3.443   1.306  -5.783
  374    HA   CYS  48           HA       CYS  48  -1.270   2.227  -4.006
  375   1HB   CYS  48          1HB       CYS  48  -2.201   4.549  -4.652
  376   2HB   CYS  48          2HB       CYS  48  -1.089   3.666  -5.729
  377    H    ALA  49           H        ALA  49  -1.930   1.650  -2.051
  378    HA   ALA  49           HA       ALA  49  -4.619   2.559  -1.201
  379   1HB   ALA  49          1HB       ALA  49  -4.118   0.142  -1.116
  380   2HB   ALA  49          2HB       ALA  49  -4.332   0.814   0.519
  381   3HB   ALA  49          3HB       ALA  49  -2.696   0.471  -0.100
  382    H    ASP  50           H        ASP  50  -4.699   4.378   0.070
  383    HA   ASP  50           HA       ASP  50  -2.443   5.710   1.012
  384   1HB   ASP  50          1HB       ASP  50  -5.208   6.081   1.032
  385   2HB   ASP  50          2HB       ASP  50  -4.778   6.024   2.755
  386    HD2  ASP  50           HD2      ASP  50  -2.720   8.845   2.443
  387    HA   PRO  51           HA       PRO  51  -1.272   3.217   4.549
  388   1HB   PRO  51          1HB       PRO  51   0.646   4.835   5.663
  389   2HB   PRO  51          2HB       PRO  51   0.893   3.872   4.170
  390   1HG   PRO  51          1HG       PRO  51   0.239   6.792   4.420
  391   2HG   PRO  51          2HG       PRO  51   1.382   5.999   3.288
  392   1HD   PRO  51          1HD       PRO  51  -1.206   6.797   2.644
  393   2HD   PRO  51          2HD       PRO  51  -0.338   5.464   1.822
  394    H    LYS  52           H        LYS  52  -3.152   5.954   4.594
  395    HA   LYS  52           HA       LYS  52  -3.306   6.565   7.370
  396   1HB   LYS  52          1HB       LYS  52  -5.246   6.893   5.043
  397   2HB   LYS  52          2HB       LYS  52  -5.472   7.614   6.655
  398   1HG   LYS  52          1HG       LYS  52  -3.498   8.949   6.434
  399   2HG   LYS  52          2HG       LYS  52  -2.985   8.064   4.977
  400   1HD   LYS  52          1HD       LYS  52  -3.755  10.098   4.151
  401   2HD   LYS  52          2HD       LYS  52  -5.124   8.987   3.893
  402   1HE   LYS  52          1HE       LYS  52  -5.054  10.625   6.404
  403   2HE   LYS  52          2HE       LYS  52  -5.486  11.419   4.874
  404   1HZ   LYS  52          1HZ       LYS  52  -6.777   9.037   5.960
  405   2HZ   LYS  52          2HZ       LYS  52  -7.357  10.556   6.036
  406   3HZ   LYS  52          3HZ       LYS  52  -7.200   9.828   4.591
  407    H    GLN  53           H        GLN  53  -4.694   4.035   5.324
  408    HA   GLN  53           HA       GLN  53  -6.742   3.209   7.200
  409   1HB   GLN  53          1HB       GLN  53  -5.512   1.997   4.708
  410   2HB   GLN  53          2HB       GLN  53  -6.773   1.186   5.669
  411   1HG   GLN  53          1HG       GLN  53  -8.414   2.707   5.053
  412   2HG   GLN  53          2HG       GLN  53  -7.249   4.025   4.798
  413   2HE2  GLN  53          2HE2      GLN  53  -5.618   3.567   3.003
  414   1HE2  GLN  53          1HE2      GLN  53  -6.241   2.865   1.524
  415    H    ASN  54           H        ASN  54  -6.715   0.862   7.882
  416    HA   ASN  54           HA       ASN  54  -4.359   0.443   9.541
  417   1HB   ASN  54          1HB       ASN  54  -7.162  -0.170   9.739
  418   2HB   ASN  54          2HB       ASN  54  -6.229  -1.677   9.866
  419   2HD2  ASN  54          2HD2      ASN  54  -6.874   1.466  11.235
  420   1HD2  ASN  54          1HD2      ASN  54  -6.035   1.230  12.752
  421    H    TRP  55           H        TRP  55  -6.376  -1.722   7.412
  422    HA   TRP  55           HA       TRP  55  -4.726  -3.855   7.190
  423   1HB   TRP  55          1HB       TRP  55  -5.884  -4.378   5.184
  424   2HB   TRP  55          2HB       TRP  55  -7.015  -3.449   6.178
  425    HD1  TRP  55           HD1      TRP  55  -7.563  -0.903   5.294
  426    HE1  TRP  55           HE1      TRP  55  -7.419   0.152   3.002
  427    HE3  TRP  55           HE3      TRP  55  -4.559  -4.341   3.124
  428    HZ2  TRP  55           HZ2      TRP  55  -6.213  -0.437   0.497
  429    HZ3  TRP  55           HZ3      TRP  55  -4.137  -4.208   0.677
  430    HH2  TRP  55           HH2      TRP  55  -4.989  -2.289  -0.641
  431    H    VAL  56           H        VAL  56  -4.374  -0.788   5.556
  432    HA   VAL  56           HA       VAL  56  -2.162  -1.409   3.859
  433    HB   VAL  56           HB       VAL  56  -3.219   1.222   4.983
  434   1HG1  VAL  56          1HG1      VAL  56  -1.469   0.503   2.580
  435   2HG1  VAL  56          2HG1      VAL  56  -2.004   2.145   3.007
  436   3HG1  VAL  56          3HG1      VAL  56  -0.880   1.272   4.073
  437   1HG2  VAL  56          1HG2      VAL  56  -3.559  -0.096   2.251
  438   2HG2  VAL  56          2HG2      VAL  56  -4.844   0.066   3.470
  439   3HG2  VAL  56          3HG2      VAL  56  -4.168   1.512   2.693
  440    H    LYS  57           H        LYS  57  -2.442   0.423   7.010
  441    HA   LYS  57           HA       LYS  57   0.288   0.817   7.431
  442   1HB   LYS  57          1HB       LYS  57  -0.322   1.713   9.389
  443   2HB   LYS  57          2HB       LYS  57  -1.962   1.589   8.707
  444   1HG   LYS  57          1HG       LYS  57  -2.410  -0.400   9.967
  445   2HG   LYS  57          2HG       LYS  57  -0.718  -0.499  10.511
  446   1HD   LYS  57          1HD       LYS  57  -1.231   1.861  11.544
  447   2HD   LYS  57          2HD       LYS  57  -2.920   1.309  11.429
  448   1HE   LYS  57          1HE       LYS  57  -2.430  -0.677  12.748
  449   2HE   LYS  57          2HE       LYS  57  -0.685  -0.347  12.694
  450   1HZ   LYS  57          1HZ       LYS  57  -1.148   1.726  13.816
  451   2HZ   LYS  57          2HZ       LYS  57  -2.737   1.332  13.923
  452   3HZ   LYS  57          3HZ       LYS  57  -1.608   0.451  14.721
  453    H    ARG  58           H        ARG  58  -1.807  -1.994   8.244
  454    HA   ARG  58           HA       ARG  58   0.012  -3.495   9.719
  455   1HB   ARG  58          1HB       ARG  58  -2.324  -4.196   7.945
  456   2HB   ARG  58          2HB       ARG  58  -1.333  -5.475   8.691
  457   1HG   ARG  58          1HG       ARG  58  -2.014  -3.515  10.702
  458   2HG   ARG  58          2HG       ARG  58  -3.494  -4.036   9.863
  459   1HD   ARG  58          1HD       ARG  58  -2.249  -6.436  10.081
  460   2HD   ARG  58          2HD       ARG  58  -1.567  -5.633  11.513
  461    HE   ARG  58           HE       ARG  58  -4.334  -5.107  11.449
  462   1HH1  ARG  58          1HH1      ARG  58  -5.828  -6.256  12.714
  463   2HH1  ARG  58          2HH1      ARG  58  -5.404  -7.818  13.374
  464   1HH2  ARG  58          1HH2      ARG  58  -2.203  -7.881  11.987
  465   2HH2  ARG  58          2HH2      ARG  58  -3.371  -8.733  12.968
  466    H    ALA  59           H        ALA  59  -0.730  -3.808   6.160
  467    HA   ALA  59           HA       ALA  59   1.311  -5.666   5.645
  468   1HB   ALA  59          1HB       ALA  59   0.088  -3.532   3.878
  469   2HB   ALA  59          2HB       ALA  59   0.977  -4.972   3.323
  470   3HB   ALA  59          3HB       ALA  59  -0.575  -5.156   4.177
  471    H    VAL  60           H        VAL  60   1.380  -2.074   5.581
  472    HA   VAL  60           HA       VAL  60   4.098  -1.805   4.833
  473    HB   VAL  60           HB       VAL  60   2.126  -0.026   6.278
  474   1HG1  VAL  60          1HG1      VAL  60   4.858   0.730   5.181
  475   2HG1  VAL  60          2HG1      VAL  60   3.639   1.869   5.787
  476   3HG1  VAL  60          3HG1      VAL  60   4.396   0.711   6.898
  477   1HG2  VAL  60          1HG2      VAL  60   1.673  -0.651   3.929
  478   2HG2  VAL  60          2HG2      VAL  60   2.095   1.073   4.064
  479   3HG2  VAL  60          3HG2      VAL  60   3.300  -0.095   3.469
  480    H    ASN  61           H        ASN  61   2.520  -2.258   8.005
  481    HA   ASN  61           HA       ASN  61   4.590  -1.623   9.705
  482   1HB   ASN  61          1HB       ASN  61   2.190  -2.228  10.238
  483   2HB   ASN  61          2HB       ASN  61   2.652  -3.935  10.041
  484   2HD2  ASN  61          2HD2      ASN  61   2.008  -4.303  12.210
  485   1HD2  ASN  61          1HD2      ASN  61   3.050  -3.853  13.543
  486    H    LEU  62           H        LEU  62   3.782  -4.901   8.400
  487    HA   LEU  62           HA       LEU  62   6.093  -6.163   9.349
  488   1HB   LEU  62          1HB       LEU  62   4.573  -6.832   6.820
  489   2HB   LEU  62          2HB       LEU  62   5.712  -7.895   7.683
  490    HG   LEU  62           HG       LEU  62   3.793  -8.768   8.448
  491   1HD1  LEU  62          1HD1      LEU  62   4.838  -7.963  10.495
  492   2HD1  LEU  62          2HD1      LEU  62   3.917  -6.445  10.381
  493   3HD1  LEU  62          3HD1      LEU  62   3.073  -7.978  10.665
  494   1HD2  LEU  62          1HD2      LEU  62   2.368  -7.363   7.058
  495   2HD2  LEU  62          2HD2      LEU  62   1.638  -7.610   8.659
  496   3HD2  LEU  62          3HD2      LEU  62   2.435  -6.068   8.277
  497    H    LEU  63           H        LEU  63   5.602  -4.259   6.372
  498    HA   LEU  63           HA       LEU  63   8.202  -4.704   5.280
  499   1HB   LEU  63          1HB       LEU  63   6.880  -3.867   3.685
  500   2HB   LEU  63          2HB       LEU  63   5.923  -2.894   4.827
  501    HG   LEU  63           HG       LEU  63   8.675  -1.962   4.141
  502   1HD1  LEU  63          1HD1      LEU  63   7.744  -2.555   1.951
  503   2HD1  LEU  63          2HD1      LEU  63   6.280  -1.611   2.312
  504   3HD1  LEU  63          3HD1      LEU  63   7.849  -0.791   2.140
  505   1HD2  LEU  63          1HD2      LEU  63   7.297  -0.790   5.802
  506   2HD2  LEU  63          2HD2      LEU  63   7.581   0.234   4.376
  507   3HD2  LEU  63          3HD2      LEU  63   6.011  -0.574   4.591
  508    H    SER  64           H        SER  64   6.905  -2.372   7.647
  509    HA   SER  64           HA       SER  64   9.021  -0.559   7.715
  510   1HB   SER  64          1HB       SER  64   6.754  -0.373   8.838
  511   2HB   SER  64          2HB       SER  64   7.374  -1.458  10.105
  512    HG   SER  64           HG       SER  64   7.635   0.742  10.697
  513    H    LEU  65           H        LEU  65   8.581  -3.669   9.512
  514    HA   LEU  65           HA       LEU  65  11.174  -3.466  10.754
  515   1HB   LEU  65          1HB       LEU  65   9.202  -5.738  10.446
  516   2HB   LEU  65          2HB       LEU  65  10.757  -5.889  11.300
  517    HG   LEU  65           HG       LEU  65   8.706  -3.755  11.976
  518   1HD1  LEU  65          1HD1      LEU  65   7.661  -5.962  12.228
  519   2HD1  LEU  65          2HD1      LEU  65   9.024  -6.501  13.237
  520   3HD1  LEU  65          3HD1      LEU  65   7.947  -5.209  13.815
  521   1HD2  LEU  65          1HD2      LEU  65  10.985  -3.319  12.763
  522   2HD2  LEU  65          2HD2      LEU  65   9.895  -3.644  14.129
  523   3HD2  LEU  65          3HD2      LEU  65  11.018  -4.904  13.570
  524    H    ARG  66           H        ARG  66  10.016  -4.551   7.645
  525    HA   ARG  66           HA       ARG  66  12.291  -6.228   7.008
  526   1HB   ARG  66          1HB       ARG  66   9.733  -6.030   6.087
  527   2HB   ARG  66          2HB       ARG  66  10.618  -5.134   4.828
  528   1HG   ARG  66          1HG       ARG  66  11.284  -7.940   5.790
  529   2HG   ARG  66          2HG       ARG  66  10.405  -7.544   4.293
  530   1HD   ARG  66          1HD       ARG  66  12.321  -6.539   3.304
  531   2HD   ARG  66          2HD       ARG  66  13.172  -6.430   4.860
  532    HE   ARG  66           HE       ARG  66  12.642  -9.131   4.454
  533   1HH1  ARG  66          1HH1      ARG  66  14.164 -10.575   3.555
  534   2HH1  ARG  66          2HH1      ARG  66  15.512  -9.961   2.625
  535   1HH2  ARG  66          1HH2      ARG  66  14.562  -6.607   2.896
  536   2HH2  ARG  66          2HH2      ARG  66  15.739  -7.727   2.253
  537    H    VAL  67           H        VAL  67  11.121  -3.054   5.702
  538    HA   VAL  67           HA       VAL  67  13.779  -2.440   4.584
  539    HB   VAL  67           HB       VAL  67  11.095  -1.042   4.356
  540   1HG1  VAL  67          1HG1      VAL  67  12.952   0.535   3.970
  541   2HG1  VAL  67          2HG1      VAL  67  13.643  -0.576   2.764
  542   3HG1  VAL  67          3HG1      VAL  67  12.081   0.213   2.459
  543   1HG2  VAL  67          1HG2      VAL  67  11.149  -3.249   3.230
  544   2HG2  VAL  67          2HG2      VAL  67  11.073  -1.935   2.036
  545   3HG2  VAL  67          3HG2      VAL  67  12.615  -2.760   2.348
  546    H    LYS  68           H        LYS  68  13.693  -2.654   7.390
  547    HA   LYS  68           HA       LYS  68  15.016  -0.294   8.153
  548   1HB   LYS  68          1HB       LYS  68  12.268   0.106   8.297
  549   2HB   LYS  68          2HB       LYS  68  12.716  -0.347   9.959
  550   1HG   LYS  68          1HG       LYS  68  14.684   1.496   9.169
  551   2HG   LYS  68          2HG       LYS  68  13.155   2.161   8.547
  552   1HD   LYS  68          1HD       LYS  68  12.301   2.471  10.644
  553   2HD   LYS  68          2HD       LYS  68  12.953   0.923  11.235
  554   1HE   LYS  68          1HE       LYS  68  15.270   2.342  10.825
  555   2HE   LYS  68          2HE       LYS  68  14.160   3.645  11.301
  556   1HZ   LYS  68          1HZ       LYS  68  14.579   1.138  12.752
  557   2HZ   LYS  68          2HZ       LYS  68  15.194   2.597  13.176
  558   3HZ   LYS  68          3HZ       LYS  68  13.574   2.357  13.212
  559    H    LYS  69           H        LYS  69  16.369  -2.074   8.549
  560    HA   LYS  69           HA       LYS  69  15.699  -3.851  10.797
  561   1HB   LYS  69          1HB       LYS  69  17.010  -4.468   8.588
  562   2HB   LYS  69          2HB       LYS  69  18.394  -3.743   9.444
  563   1HG   LYS  69          1HG       LYS  69  17.286  -5.306  11.415
  564   2HG   LYS  69          2HG       LYS  69  16.948  -6.278   9.962
  565   1HD   LYS  69          1HD       LYS  69  19.265  -6.404   9.389
  566   2HD   LYS  69          2HD       LYS  69  19.697  -5.135  10.559
  567   1HE   LYS  69          1HE       LYS  69  20.356  -7.065  11.690
  568   2HE   LYS  69          2HE       LYS  69  18.719  -6.811  12.332
  569   1HZ   LYS  69          1HZ       LYS  69  17.933  -8.420  10.723
  570   2HZ   LYS  69          2HZ       LYS  69  19.467  -8.634  10.176
  571   3HZ   LYS  69          3HZ       LYS  69  19.071  -9.050  11.695
  572    H    MET  70           H        MET  70  16.967  -3.907  12.709
  573    HA   MET  70           HA       MET  70  17.575  -1.367  13.839
  574   1HB   MET  70          1HB       MET  70  17.344  -4.122  14.646
  575   2HB   MET  70          2HB       MET  70  18.841  -3.439  15.326
  576   1HG   MET  70          1HG       MET  70  17.596  -1.577  16.304
  577   2HG   MET  70          2HG       MET  70  16.098  -2.131  15.536
  578   1HE   MET  70          1HE       MET  70  18.571  -2.494  18.467
  579   2HE   MET  70          2HE       MET  70  17.075  -1.578  18.766
  580   3HE   MET  70          3HE       MET  70  17.390  -3.084  19.662

  No H/Q in entry =         580
  Start of MODEL    4
    1    H1   ALA   1           H1       ALA   1 -14.283  10.045 -11.486
    2    H2   ALA   1           H2       ALA   1 -14.170  11.578 -12.039
    3    H3   ALA   1           H3       ALA   1 -13.035  11.007 -11.028
    4    HA   ALA   1           HA       ALA   1 -14.477  12.452  -9.856
    5   1HB   ALA   1          1HB       ALA   1 -16.358  12.225 -11.428
    6   2HB   ALA   1          2HB       ALA   1 -16.895  11.957  -9.752
    7   3HB   ALA   1          3HB       ALA   1 -16.659  10.572 -10.843
    8    H    SER   2           H        SER   2 -12.734  11.204  -8.713
    9    HA   SER   2           HA       SER   2 -13.918   9.561  -6.611
   10   1HB   SER   2          1HB       SER   2 -13.076   8.059  -8.540
   11   2HB   SER   2          2HB       SER   2 -11.440   8.576  -8.067
   12    HG   SER   2           HG       SER   2 -12.283   6.571  -7.014
   13    H    ASN   3           H        ASN   3 -11.420   8.842  -5.464
   14    HA   ASN   3           HA       ASN   3 -10.611  11.411  -4.281
   15   1HB   ASN   3          1HB       ASN   3 -10.971   8.806  -3.333
   16   2HB   ASN   3          2HB       ASN   3  -9.204   8.990  -3.409
   17   2HD2  ASN   3          2HD2      ASN   3  -8.183  10.325  -1.928
   18   1HD2  ASN   3          1HD2      ASN   3  -9.014  11.281  -0.713
   19    H    TYR   4           H        TYR   4  -8.097  11.371  -3.742
   20    HA   TYR   4           HA       TYR   4  -6.502  12.059  -5.774
   21   1HB   TYR   4          1HB       TYR   4  -6.176  11.177  -3.053
   22   2HB   TYR   4          2HB       TYR   4  -4.889  10.451  -4.029
   23    HD1  TYR   4           HD1      TYR   4  -3.452  11.944  -5.490
   24    HD2  TYR   4           HD2      TYR   4  -6.131  13.459  -2.450
   25    HE1  TYR   4           HE1      TYR   4  -2.184  14.101  -5.453
   26    HE2  TYR   4           HE2      TYR   4  -4.851  15.621  -2.381
   27    HH   TYR   4           HH       TYR   4  -2.971  16.669  -3.061
   28    H    ASP   5           H        ASP   5  -6.185  11.102  -7.694
   29    HA   ASP   5           HA       ASP   5  -5.619   8.177  -7.756
   30   1HB   ASP   5          1HB       ASP   5  -7.757   9.407  -8.819
   31   2HB   ASP   5          2HB       ASP   5  -6.608   9.705 -10.141
   32    HD2  ASP   5           HD2      ASP   5  -6.823   6.431 -11.181
   33    H    CYS   6           H        CYS   6  -3.585   9.778  -7.087
   34    HA   CYS   6           HA       CYS   6  -2.111  11.084  -9.017
   35   1HB   CYS   6          1HB       CYS   6  -0.311  10.814  -7.397
   36   2HB   CYS   6          2HB       CYS   6  -1.858  11.323  -6.675
   37    H    CYS   7           H        CYS   7  -1.012   7.843  -7.796
   38    HA   CYS   7           HA       CYS   7   0.398   7.129 -10.134
   39   1HB   CYS   7          1HB       CYS   7   0.718   5.154  -9.017
   40   2HB   CYS   7          2HB       CYS   7   0.283   6.229  -7.664
   41    H    LEU   8           H        LEU   8  -0.535   4.726 -11.115
   42    HA   LEU   8           HA       LEU   8  -2.237   5.212 -13.136
   43   1HB   LEU   8          1HB       LEU   8  -1.157   2.927 -11.782
   44   2HB   LEU   8          2HB       LEU   8  -2.846   2.584 -12.223
   45    HG   LEU   8           HG       LEU   8  -1.320   3.964 -14.328
   46   1HD1  LEU   8          1HD1      LEU   8   0.502   2.627 -13.397
   47   2HD1  LEU   8          2HD1      LEU   8  -0.497   1.160 -13.522
   48   3HD1  LEU   8          3HD1      LEU   8   0.017   2.015 -14.995
   49   1HD2  LEU   8          1HD2      LEU   8  -3.561   3.047 -14.666
   50   2HD2  LEU   8          2HD2      LEU   8  -2.385   2.266 -15.748
   51   3HD2  LEU   8          3HD2      LEU   8  -2.958   1.413 -14.296
   52    H    SER   9           H        SER   9  -3.268   4.019  -9.938
   53    HA   SER   9           HA       SER   9  -5.551   5.594  -9.765
   54   1HB   SER   9          1HB       SER   9  -7.278   3.732  -9.749
   55   2HB   SER   9          2HB       SER   9  -6.704   4.263 -11.347
   56    HG   SER   9           HG       SER   9  -6.683   1.987 -11.280
   57    H    TYR  10           H        TYR  10  -6.279   5.703  -7.737
   58    HA   TYR  10           HA       TYR  10  -4.852   4.567  -5.567
   59   1HB   TYR  10          1HB       TYR  10  -6.242   6.691  -5.626
   60   2HB   TYR  10          2HB       TYR  10  -7.690   5.670  -5.627
   61    HD1  TYR  10           HD1      TYR  10  -8.654   4.967  -3.593
   62    HD2  TYR  10           HD2      TYR  10  -4.599   6.469  -3.650
   63    HE1  TYR  10           HE1      TYR  10  -8.558   4.769  -1.099
   64    HE2  TYR  10           HE2      TYR  10  -4.528   6.346  -1.149
   65    HH   TYR  10           HH       TYR  10  -5.768   5.919   0.746
   66    H    ILE  11           H        ILE  11  -5.948   3.254  -3.834
   67    HA   ILE  11           HA       ILE  11  -7.024   0.823  -4.898
   68    HB   ILE  11           HB       ILE  11  -5.396   0.932  -3.053
   69   1HG1  ILE  11          1HG1      ILE  11  -6.373  -0.848  -1.740
   70   2HG1  ILE  11          2HG1      ILE  11  -8.011  -0.375  -2.254
   71   1HG2  ILE  11          1HG2      ILE  11  -6.305   2.800  -1.725
   72   2HG2  ILE  11          2HG2      ILE  11  -7.749   1.827  -1.347
   73   3HG2  ILE  11          3HG2      ILE  11  -6.159   1.339  -0.729
   74   1HD1  ILE  11          1HD1      ILE  11  -5.818  -1.448  -4.062
   75   2HD1  ILE  11          2HD1      ILE  11  -7.227  -2.366  -3.492
   76   3HD1  ILE  11          3HD1      ILE  11  -7.456  -0.977  -4.575
   77    H    GLN  12           H        GLN  12  -8.833   1.519  -5.985
   78    HA   GLN  12           HA       GLN  12 -11.054   2.732  -4.868
   79   1HB   GLN  12          1HB       GLN  12 -10.863   0.624  -7.025
   80   2HB   GLN  12          2HB       GLN  12 -12.380   1.456  -6.603
   81   1HG   GLN  12          1HG       GLN  12 -11.226   3.650  -7.025
   82   2HG   GLN  12          2HG       GLN  12  -9.798   2.749  -7.580
   83   2HE2  GLN  12          2HE2      GLN  12 -12.827   4.054  -8.454
   84   1HE2  GLN  12          1HE2      GLN  12 -12.980   3.336 -10.044
   85    H    THR  13           H        THR  13  -9.783  -0.307  -4.051
   86    HA   THR  13           HA       THR  13 -11.864  -0.811  -2.156
   87    HB   THR  13           HB       THR  13 -11.712  -2.409  -4.613
   88    HG1  THR  13           HG1      THR  13 -13.981  -2.553  -3.901
   89   1HG2  THR  13          1HG2      THR  13 -12.253  -3.840  -2.001
   90   2HG2  THR  13          2HG2      THR  13 -12.589  -4.487  -3.617
   91   3HG2  THR  13          3HG2      THR  13 -10.913  -4.176  -3.124
   92    HA   PRO  14           HA       PRO  14  -7.988  -1.850  -0.180
   93   1HB   PRO  14          1HB       PRO  14  -9.160  -1.813   2.375
   94   2HB   PRO  14          2HB       PRO  14  -8.328  -0.462   1.537
   95   1HG   PRO  14          1HG       PRO  14 -11.204  -0.874   1.992
   96   2HG   PRO  14          2HG       PRO  14 -10.311   0.655   1.699
   97   1HD   PRO  14          1HD       PRO  14 -11.913  -0.757  -0.159
   98   2HD   PRO  14          2HD       PRO  14 -10.696   0.491  -0.563
   99    H    LEU  15           H        LEU  15  -7.156  -3.822   0.406
  100    HA   LEU  15           HA       LEU  15  -9.097  -5.924   1.126
  101   1HB   LEU  15          1HB       LEU  15  -7.564  -7.452  -0.313
  102   2HB   LEU  15          2HB       LEU  15  -8.846  -6.477  -1.067
  103    HG   LEU  15           HG       LEU  15  -6.449  -4.923  -1.027
  104   1HD1  LEU  15          1HD1      LEU  15  -6.175  -7.709  -2.226
  105   2HD1  LEU  15          2HD1      LEU  15  -5.027  -6.368  -2.443
  106   3HD1  LEU  15          3HD1      LEU  15  -5.263  -7.084  -0.832
  107   1HD2  LEU  15          1HD2      LEU  15  -8.357  -4.742  -2.609
  108   2HD2  LEU  15          2HD2      LEU  15  -6.828  -5.008  -3.480
  109   3HD2  LEU  15          3HD2      LEU  15  -7.970  -6.354  -3.258
  110    HA   PRO  16           HA       PRO  16  -6.359  -6.816   4.414
  111   1HB   PRO  16          1HB       PRO  16  -6.446  -9.542   4.770
  112   2HB   PRO  16          2HB       PRO  16  -7.802  -8.439   5.174
  113   1HG   PRO  16          1HG       PRO  16  -7.454 -10.156   2.729
  114   2HG   PRO  16          2HG       PRO  16  -8.942  -9.879   3.693
  115   1HD   PRO  16          1HD       PRO  16  -8.369  -8.597   1.297
  116   2HD   PRO  16          2HD       PRO  16  -9.363  -7.859   2.590
  117    H    SER  17           H        SER  17  -4.170  -7.399   4.906
  118    HA   SER  17           HA       SER  17  -2.354  -7.587   2.852
  119   1HB   SER  17          1HB       SER  17  -0.674  -8.174   4.546
  120   2HB   SER  17          2HB       SER  17  -1.722  -6.838   5.080
  121    HG   SER  17           HG       SER  17  -1.324  -8.668   6.651
  122    H    ARG  18           H        ARG  18  -4.252 -10.156   4.134
  123    HA   ARG  18           HA       ARG  18  -2.738 -12.448   3.491
  124   1HB   ARG  18          1HB       ARG  18  -4.907 -12.195   4.803
  125   2HB   ARG  18          2HB       ARG  18  -5.743 -12.019   3.241
  126   1HG   ARG  18          1HG       ARG  18  -3.941 -14.363   3.475
  127   2HG   ARG  18          2HG       ARG  18  -5.377 -14.390   4.527
  128   1HD   ARG  18          1HD       ARG  18  -6.820 -14.049   2.545
  129   2HD   ARG  18          2HD       ARG  18  -5.381 -14.057   1.503
  130    HE   ARG  18           HE       ARG  18  -5.374 -16.327   1.619
  131   1HH1  ARG  18          1HH1      ARG  18  -5.903 -18.425   2.331
  132   2HH1  ARG  18          2HH1      ARG  18  -6.833 -18.640   3.793
  133   1HH2  ARG  18          1HH2      ARG  18  -7.133 -15.233   4.474
  134   2HH2  ARG  18          2HH2      ARG  18  -7.521 -16.854   4.993
  135    H    ALA  19           H        ALA  19  -4.238 -10.051   1.409
  136    HA   ALA  19           HA       ALA  19  -3.954 -11.825  -0.939
  137   1HB   ALA  19          1HB       ALA  19  -5.402 -10.166  -2.056
  138   2HB   ALA  19          2HB       ALA  19  -6.179 -10.823  -0.594
  139   3HB   ALA  19          3HB       ALA  19  -5.452  -9.199  -0.560
  140    H    ILE  20           H        ILE  20  -1.979  -9.810   0.791
  141    HA   ILE  20           HA       ILE  20  -0.802  -8.482  -1.579
  142    HB   ILE  20           HB       ILE  20  -0.846  -7.837   1.371
  143   1HG1  ILE  20          1HG1      ILE  20  -1.341  -5.519   0.310
  144   2HG1  ILE  20          2HG1      ILE  20  -1.726  -6.463  -1.149
  145   1HG2  ILE  20          1HG2      ILE  20   1.495  -7.617   0.627
  146   2HG2  ILE  20          2HG2      ILE  20   0.973  -6.576  -0.719
  147   3HG2  ILE  20          3HG2      ILE  20   0.791  -6.020   0.959
  148   1HD1  ILE  20          1HD1      ILE  20  -3.098  -6.707   1.541
  149   2HD1  ILE  20          2HD1      ILE  20  -3.772  -5.899   0.115
  150   3HD1  ILE  20          3HD1      ILE  20  -3.485  -7.649   0.081
  151    H    VAL  21           H        VAL  21   0.830  -9.492  -2.365
  152    HA   VAL  21           HA       VAL  21   2.399 -11.290  -0.671
  153    HB   VAL  21           HB       VAL  21   3.331 -12.153  -2.790
  154   1HG1  VAL  21          1HG1      VAL  21   1.539 -13.270  -1.560
  155   2HG1  VAL  21          2HG1      VAL  21   0.323 -12.328  -2.457
  156   3HG1  VAL  21          3HG1      VAL  21   1.341 -13.509  -3.310
  157   1HG2  VAL  21          1HG2      VAL  21   2.896 -10.307  -4.332
  158   2HG2  VAL  21          2HG2      VAL  21   2.144 -11.801  -4.927
  159   3HG2  VAL  21          3HG2      VAL  21   1.143 -10.558  -4.152
  160    H    GLY  22           H        GLY  22   2.806  -8.486  -2.831
  161   1HA   GLY  22          1HA       GLY  22   5.331  -7.994  -3.311
  162   2HA   GLY  22          2HA       GLY  22   5.382  -7.872  -1.539
  163    H    PHE  23           H        PHE  23   5.644  -5.654  -1.293
  164    HA   PHE  23           HA       PHE  23   4.124  -3.803  -2.883
  165   1HB   PHE  23          1HB       PHE  23   2.994  -2.757  -1.011
  166   2HB   PHE  23          2HB       PHE  23   2.494  -4.449  -1.181
  167    HD1  PHE  23           HD1      PHE  23   3.713  -6.198   0.310
  168    HD2  PHE  23           HD2      PHE  23   3.695  -1.931   1.010
  169    HE1  PHE  23           HE1      PHE  23   4.429  -6.606   2.682
  170    HE2  PHE  23           HE2      PHE  23   4.299  -2.331   3.406
  171    HZ   PHE  23           HZ       PHE  23   4.683  -4.649   4.197
  172    H    THR  24           H        THR  24   4.481  -1.522  -2.131
  173    HA   THR  24           HA       THR  24   7.141  -1.086  -0.916
  174    HB   THR  24           HB       THR  24   6.525   0.280  -3.510
  175    HG1  THR  24           HG1      THR  24   7.743  -1.655  -4.502
  176   1HG2  THR  24          1HG2      THR  24   8.544   0.840  -2.184
  177   2HG2  THR  24          2HG2      THR  24   9.061  -0.861  -2.253
  178   3HG2  THR  24          3HG2      THR  24   8.992   0.109  -3.741
  179    H    ARG  25           H        ARG  25   7.585   1.260  -0.739
  180    HA   ARG  25           HA       ARG  25   5.244   2.612   0.430
  181   1HB   ARG  25          1HB       ARG  25   8.266   2.968   0.575
  182   2HB   ARG  25          2HB       ARG  25   7.118   4.107   1.319
  183   1HG   ARG  25          1HG       ARG  25   6.350   1.444   2.040
  184   2HG   ARG  25          2HG       ARG  25   8.093   1.627   2.350
  185   1HD   ARG  25          1HD       ARG  25   6.745   2.205   4.336
  186   2HD   ARG  25          2HD       ARG  25   7.659   3.606   3.734
  187    HE   ARG  25           HE       ARG  25   4.741   3.149   3.500
  188   1HH1  ARG  25          1HH1      ARG  25   3.475   5.042   3.108
  189   2HH1  ARG  25          2HH1      ARG  25   4.263   6.578   2.845
  190   1HH2  ARG  25          1HH2      ARG  25   7.510   5.303   3.111
  191   2HH2  ARG  25          2HH2      ARG  25   6.531   6.726   2.848
  192    H    GLN  26           H        GLN  26   4.550   4.673  -0.220
  193    HA   GLN  26           HA       GLN  26   5.990   5.892  -2.506
  194   1HB   GLN  26          1HB       GLN  26   3.782   4.645  -3.072
  195   2HB   GLN  26          2HB       GLN  26   2.995   6.006  -2.238
  196   1HG   GLN  26          1HG       GLN  26   4.256   7.538  -3.844
  197   2HG   GLN  26          2HG       GLN  26   4.669   6.074  -4.763
  198   2HE2  GLN  26          2HE2      GLN  26   1.965   7.834  -3.309
  199   1HE2  GLN  26          1HE2      GLN  26   0.757   7.388  -4.495
  200    H    MET  27           H        MET  27   6.772   7.610  -1.810
  201    HA   MET  27           HA       MET  27   5.835   9.190   0.426
  202   1HB   MET  27          1HB       MET  27   7.925   9.675  -1.737
  203   2HB   MET  27          2HB       MET  27   7.747  10.612  -0.235
  204   1HG   MET  27          1HG       MET  27   8.520   8.857   1.103
  205   2HG   MET  27          2HG       MET  27   8.177   7.632  -0.130
  206   1HE   MET  27          1HE       MET  27   9.526   7.742  -2.570
  207   2HE   MET  27          2HE       MET  27  11.248   7.411  -2.264
  208   3HE   MET  27          3HE       MET  27   9.996   6.522  -1.361
  209    H    ALA  28           H        ALA  28   5.395  11.480   0.255
  210    HA   ALA  28           HA       ALA  28   3.569  12.165  -1.950
  211   1HB   ALA  28          1HB       ALA  28   4.158  13.419   0.773
  212   2HB   ALA  28          2HB       ALA  28   2.803  12.325   0.406
  213   3HB   ALA  28          3HB       ALA  28   2.881  13.932  -0.358
  214    H    ASP  29           H        ASP  29   4.710  12.967  -3.639
  215    HA   ASP  29           HA       ASP  29   5.808  15.429  -3.722
  216   1HB   ASP  29          1HB       ASP  29   7.851  13.576  -2.754
  217   2HB   ASP  29          2HB       ASP  29   8.321  14.353  -4.281
  218    HD2  ASP  29           HD2      ASP  29   9.368  16.475  -1.564
  219    H    GLU  30           H        GLU  30   6.700  12.176  -4.933
  220    HA   GLU  30           HA       GLU  30   7.410  12.923  -7.548
  221   1HB   GLU  30          1HB       GLU  30   7.703  10.737  -6.044
  222   2HB   GLU  30          2HB       GLU  30   6.264  10.214  -6.951
  223   1HG   GLU  30          1HG       GLU  30   7.555  11.002  -9.057
  224   2HG   GLU  30          2HG       GLU  30   8.992  11.001  -8.012
  225    H    ALA  31           H        ALA  31   5.596  10.823  -8.925
  226    HA   ALA  31           HA       ALA  31   3.636  12.390 -10.062
  227   1HB   ALA  31          1HB       ALA  31   3.629   9.385  -9.564
  228   2HB   ALA  31          2HB       ALA  31   4.418  10.214 -10.928
  229   3HB   ALA  31          3HB       ALA  31   2.646  10.237 -10.776
  230    H    CYS  32           H        CYS  32   3.665  11.035  -6.877
  231    HA   CYS  32           HA       CYS  32   0.809  11.637  -6.516
  232   1HB   CYS  32          1HB       CYS  32   1.782   9.277  -5.950
  233   2HB   CYS  32          2HB       CYS  32   2.433  10.112  -4.518
  234    H    ASP  33           H        ASP  33   0.238  13.135  -5.086
  235    HA   ASP  33           HA       ASP  33   2.354  14.732  -3.799
  236   1HB   ASP  33          1HB       ASP  33   0.627  15.793  -5.263
  237   2HB   ASP  33          2HB       ASP  33  -0.621  15.265  -4.111
  238    HD2  ASP  33           HD2      ASP  33   1.898  18.096  -2.865
  239    H    ILE  34           H        ILE  34   0.516  12.066  -2.982
  240    HA   ILE  34           HA       ILE  34   0.451  12.803  -0.157
  241    HB   ILE  34           HB       ILE  34  -1.584  11.723   0.272
  242   1HG1  ILE  34          1HG1      ILE  34  -1.855  10.943  -2.632
  243   2HG1  ILE  34          2HG1      ILE  34  -1.346   9.851  -1.322
  244   1HG2  ILE  34          1HG2      ILE  34  -1.737  14.042  -0.496
  245   2HG2  ILE  34          2HG2      ILE  34  -1.941  13.487  -2.173
  246   3HG2  ILE  34          3HG2      ILE  34  -3.190  13.127  -0.959
  247   1HD1  ILE  34          1HD1      ILE  34  -4.036  11.249  -1.533
  248   2HD1  ILE  34          2HD1      ILE  34  -3.736   9.532  -1.872
  249   3HD1  ILE  34          3HD1      ILE  34  -3.527  10.156  -0.223
  250    H    ASN  35           H        ASN  35   0.315  10.725   1.178
  251    HA   ASN  35           HA       ASN  35   2.384   8.893   0.262
  252   1HB   ASN  35          1HB       ASN  35   0.567   8.918   2.704
  253   2HB   ASN  35          2HB       ASN  35   2.056   7.969   2.504
  254   2HD2  ASN  35          2HD2      ASN  35   3.978   8.859   3.076
  255   1HD2  ASN  35          1HD2      ASN  35   4.181  10.508   3.634
  256    H    ALA  36           H        ALA  36   2.055   6.886  -0.566
  257    HA   ALA  36           HA       ALA  36  -0.518   5.596  -0.252
  258   1HB   ALA  36          1HB       ALA  36  -0.809   4.972  -2.614
  259   2HB   ALA  36          2HB       ALA  36   0.578   5.993  -3.049
  260   3HB   ALA  36          3HB       ALA  36  -0.897   6.730  -2.380
  261    H    ILE  37           H        ILE  37  -0.455   3.324  -0.511
  262    HA   ILE  37           HA       ILE  37   2.292   2.254  -0.501
  263    HB   ILE  37           HB       ILE  37  -0.230   1.194   0.772
  264   1HG1  ILE  37          1HG1      ILE  37   0.430   3.174   1.847
  265   2HG1  ILE  37          2HG1      ILE  37   0.929   1.807   2.873
  266   1HG2  ILE  37          1HG2      ILE  37   1.254  -0.652   0.170
  267   2HG2  ILE  37          2HG2      ILE  37   2.604   0.141   1.017
  268   3HG2  ILE  37          3HG2      ILE  37   1.198  -0.442   1.934
  269   1HD1  ILE  37          1HD1      ILE  37   2.761   3.503   1.152
  270   2HD1  ILE  37          2HD1      ILE  37   2.619   3.617   2.914
  271   3HD1  ILE  37          3HD1      ILE  37   3.259   2.137   2.179
  272    H    ILE  38           H        ILE  38   2.872   1.427  -2.171
  273    HA   ILE  38           HA       ILE  38   1.124   0.552  -4.321
  274    HB   ILE  38           HB       ILE  38   3.992   1.137  -3.855
  275   1HG1  ILE  38          1HG1      ILE  38   3.089   1.736  -6.477
  276   2HG1  ILE  38          2HG1      ILE  38   1.712   2.038  -5.390
  277   1HG2  ILE  38          1HG2      ILE  38   3.180  -0.582  -6.204
  278   2HG2  ILE  38          2HG2      ILE  38   4.755   0.205  -6.003
  279   3HG2  ILE  38          3HG2      ILE  38   4.260  -1.069  -4.875
  280   1HD1  ILE  38          1HD1      ILE  38   4.556   3.046  -4.980
  281   2HD1  ILE  38          2HD1      ILE  38   3.175   4.018  -5.547
  282   3HD1  ILE  38          3HD1      ILE  38   3.177   3.348  -3.896
  283    H    PHE  39           H        PHE  39  -0.030  -1.152  -3.628
  284    HA   PHE  39           HA       PHE  39   1.334  -3.525  -2.552
  285   1HB   PHE  39          1HB       PHE  39  -1.582  -2.832  -3.018
  286   2HB   PHE  39          2HB       PHE  39  -1.043  -4.438  -2.497
  287    HD1  PHE  39           HD1      PHE  39   0.721  -4.400  -0.556
  288    HD2  PHE  39           HD2      PHE  39  -2.145  -1.256  -1.252
  289    HE1  PHE  39           HE1      PHE  39   0.552  -4.031   1.892
  290    HE2  PHE  39           HE2      PHE  39  -2.253  -0.819   1.208
  291    HZ   PHE  39           HZ       PHE  39  -0.946  -2.244   2.772
  292    H    HIS  40           H        HIS  40   1.464  -5.530  -3.561
  293    HA   HIS  40           HA       HIS  40   0.541  -5.700  -6.382
  294   1HB   HIS  40          1HB       HIS  40   3.095  -6.896  -5.240
  295   2HB   HIS  40          2HB       HIS  40   2.602  -6.798  -6.941
  296    HD1  HIS  40           HD1      HIS  40   2.259  -3.977  -7.603
  297    HD2  HIS  40           HD2      HIS  40   4.796  -5.100  -4.556
  298    HE1  HIS  40           HE1      HIS  40   4.108  -2.216  -7.509
  299    HE2  HIS  40           HE2      HIS  40   5.356  -2.754  -5.342
  300    H    THR  41           H        THR  41  -1.269  -6.754  -5.610
  301    HA   THR  41           HA       THR  41  -1.190  -8.988  -3.839
  302    HB   THR  41           HB       THR  41  -3.449  -9.220  -4.230
  303    HG1  THR  41           HG1      THR  41  -4.244  -7.941  -6.320
  304   1HG2  THR  41          1HG2      THR  41  -3.027  -7.070  -3.189
  305   2HG2  THR  41          2HG2      THR  41  -2.952  -6.294  -4.789
  306   3HG2  THR  41          3HG2      THR  41  -4.478  -6.996  -4.211
  307    H    LYS  42           H        LYS  42  -2.596 -11.038  -5.034
  308    HA   LYS  42           HA       LYS  42  -0.631 -12.073  -6.958
  309   1HB   LYS  42          1HB       LYS  42  -1.472 -14.254  -6.469
  310   2HB   LYS  42          2HB       LYS  42  -1.201 -13.395  -4.933
  311   1HG   LYS  42          1HG       LYS  42  -3.807 -12.802  -5.307
  312   2HG   LYS  42          2HG       LYS  42  -3.737 -14.358  -6.168
  313   1HD   LYS  42          1HD       LYS  42  -3.772 -15.433  -4.198
  314   2HD   LYS  42          2HD       LYS  42  -2.245 -14.639  -3.747
  315   1HE   LYS  42          1HE       LYS  42  -3.598 -13.845  -2.047
  316   2HE   LYS  42          2HE       LYS  42  -3.885 -12.580  -3.262
  317   1HZ   LYS  42          1HZ       LYS  42  -5.853 -13.822  -3.944
  318   2HZ   LYS  42          2HZ       LYS  42  -5.553 -14.926  -2.758
  319   3HZ   LYS  42          3HZ       LYS  42  -5.909 -13.371  -2.374
  320    H    LYS  43           H        LYS  43  -3.720 -10.621  -6.979
  321    HA   LYS  43           HA       LYS  43  -4.130 -11.342  -9.783
  322   1HB   LYS  43          1HB       LYS  43  -5.374 -12.941  -8.134
  323   2HB   LYS  43          2HB       LYS  43  -6.475 -11.560  -7.910
  324   1HG   LYS  43          1HG       LYS  43  -5.907 -12.002 -10.737
  325   2HG   LYS  43          2HG       LYS  43  -6.554 -13.474  -9.975
  326   1HD   LYS  43          1HD       LYS  43  -8.530 -12.312  -9.232
  327   2HD   LYS  43          2HD       LYS  43  -7.849 -10.738  -9.709
  328   1HE   LYS  43          1HE       LYS  43  -7.873 -11.430 -12.079
  329   2HE   LYS  43          2HE       LYS  43  -8.504 -13.026 -11.620
  330   1HZ   LYS  43          1HZ       LYS  43  -9.830 -10.458 -11.113
  331   2HZ   LYS  43          2HZ       LYS  43 -10.229 -11.521 -12.292
  332   3HZ   LYS  43          3HZ       LYS  43 -10.430 -11.949 -10.738
  333    H    ARG  44           H        ARG  44  -3.164  -8.939  -8.635
  334    HA   ARG  44           HA       ARG  44  -4.922  -7.024  -9.878
  335   1HB   ARG  44          1HB       ARG  44  -5.631  -7.559  -7.293
  336   2HB   ARG  44          2HB       ARG  44  -4.355  -6.346  -7.025
  337   1HG   ARG  44          1HG       ARG  44  -5.549  -4.803  -8.567
  338   2HG   ARG  44          2HG       ARG  44  -6.853  -6.006  -8.720
  339   1HD   ARG  44          1HD       ARG  44  -7.529  -5.745  -6.480
  340   2HD   ARG  44          2HD       ARG  44  -5.949  -5.117  -5.969
  341    HE   ARG  44           HE       ARG  44  -6.694  -3.315  -7.836
  342   1HH1  ARG  44          1HH1      ARG  44  -7.852  -1.399  -7.524
  343   2HH1  ARG  44          2HH1      ARG  44  -8.926  -1.240  -6.153
  344   1HH2  ARG  44          1HH2      ARG  44  -8.325  -4.466  -4.933
  345   2HH2  ARG  44          2HH2      ARG  44  -9.194  -2.970  -4.689
  346    H    LYS  45           H        LYS  45  -3.658  -5.567 -10.704
  347    HA   LYS  45           HA       LYS  45  -0.818  -5.630 -10.494
  348   1HB   LYS  45          1HB       LYS  45  -2.599  -4.755 -12.327
  349   2HB   LYS  45          2HB       LYS  45  -2.233  -3.209 -11.526
  350   1HG   LYS  45          1HG       LYS  45   0.275  -4.322 -11.771
  351   2HG   LYS  45          2HG       LYS  45  -0.526  -4.916 -13.245
  352   1HD   LYS  45          1HD       LYS  45  -0.702  -2.008 -12.486
  353   2HD   LYS  45          2HD       LYS  45   0.759  -2.640 -13.283
  354   1HE   LYS  45          1HE       LYS  45  -1.773  -3.403 -14.601
  355   2HE   LYS  45          2HE       LYS  45  -1.447  -1.656 -14.589
  356   1HZ   LYS  45          1HZ       LYS  45   0.711  -2.121 -15.501
  357   2HZ   LYS  45          2HZ       LYS  45   0.405  -3.731 -15.510
  358   3HZ   LYS  45          3HZ       LYS  45  -0.457  -2.732 -16.464
  359    H    SER  46           H        SER  46   0.170  -3.122 -10.234
  360    HA   SER  46           HA       SER  46   0.490  -2.698  -7.537
  361   1HB   SER  46          1HB       SER  46   0.784  -0.171  -8.754
  362   2HB   SER  46          2HB       SER  46   2.056  -1.367  -8.404
  363    HG   SER  46           HG       SER  46   1.949  -0.695 -10.663
  364    H    VAL  47           H        VAL  47  -0.710  -2.094  -6.023
  365    HA   VAL  47           HA       VAL  47  -3.184  -0.489  -6.549
  366    HB   VAL  47           HB       VAL  47  -2.333  -2.748  -4.843
  367   1HG1  VAL  47          1HG1      VAL  47  -2.763  -1.188  -3.034
  368   2HG1  VAL  47          2HG1      VAL  47  -4.373  -0.832  -3.702
  369   3HG1  VAL  47          3HG1      VAL  47  -4.009  -2.448  -3.072
  370   1HG2  VAL  47          1HG2      VAL  47  -3.778  -3.006  -6.778
  371   2HG2  VAL  47          2HG2      VAL  47  -4.622  -3.497  -5.292
  372   3HG2  VAL  47          3HG2      VAL  47  -4.986  -1.926  -6.039
  373    H    CYS  48           H        CYS  48  -3.294   1.578  -5.778
  374    HA   CYS  48           HA       CYS  48  -1.111   2.381  -3.963
  375   1HB   CYS  48          1HB       CYS  48  -2.902   4.046  -5.741
  376   2HB   CYS  48          2HB       CYS  48  -1.756   4.722  -4.556
  377    H    ALA  49           H        ALA  49  -1.684   1.985  -1.921
  378    HA   ALA  49           HA       ALA  49  -4.349   2.955  -1.075
  379   1HB   ALA  49          1HB       ALA  49  -3.882   0.535  -0.945
  380   2HB   ALA  49          2HB       ALA  49  -4.077   1.241   0.679
  381   3HB   ALA  49          3HB       ALA  49  -2.450   0.861   0.061
  382    H    ASP  50           H        ASP  50  -4.409   4.785   0.115
  383    HA   ASP  50           HA       ASP  50  -2.045   6.086   1.021
  384   1HB   ASP  50          1HB       ASP  50  -4.341   7.071   0.564
  385   2HB   ASP  50          2HB       ASP  50  -4.798   6.498   2.184
  386    HD2  ASP  50           HD2      ASP  50  -2.332   8.846   3.492
  387    HA   PRO  51           HA       PRO  51  -1.249   3.695   4.743
  388   1HB   PRO  51          1HB       PRO  51   1.008   4.980   5.591
  389   2HB   PRO  51          2HB       PRO  51   0.959   3.853   4.198
  390   1HG   PRO  51          1HG       PRO  51   0.801   6.858   4.160
  391   2HG   PRO  51          2HG       PRO  51   1.828   5.790   3.145
  392   1HD   PRO  51          1HD       PRO  51  -0.537   6.834   2.267
  393   2HD   PRO  51          2HD       PRO  51   0.001   5.194   1.794
  394    H    LYS  52           H        LYS  52  -3.346   5.163   4.971
  395    HA   LYS  52           HA       LYS  52  -3.082   6.330   7.678
  396   1HB   LYS  52          1HB       LYS  52  -5.076   7.741   7.073
  397   2HB   LYS  52          2HB       LYS  52  -3.533   8.162   6.291
  398   1HG   LYS  52          1HG       LYS  52  -5.130   8.415   4.632
  399   2HG   LYS  52          2HG       LYS  52  -4.360   6.847   4.291
  400   1HD   LYS  52          1HD       LYS  52  -6.414   6.005   4.107
  401   2HD   LYS  52          2HD       LYS  52  -6.574   6.206   5.869
  402   1HE   LYS  52          1HE       LYS  52  -7.040   8.771   4.892
  403   2HE   LYS  52          2HE       LYS  52  -7.826   7.730   3.686
  404   1HZ   LYS  52          1HZ       LYS  52  -8.930   6.605   5.499
  405   2HZ   LYS  52          2HZ       LYS  52  -8.172   7.570   6.589
  406   3HZ   LYS  52          3HZ       LYS  52  -9.247   8.209   5.533
  407    H    GLN  53           H        GLN  53  -4.025   3.639   6.145
  408    HA   GLN  53           HA       GLN  53  -6.623   3.316   7.543
  409   1HB   GLN  53          1HB       GLN  53  -5.375   1.505   5.457
  410   2HB   GLN  53          2HB       GLN  53  -7.062   1.533   6.024
  411   1HG   GLN  53          1HG       GLN  53  -6.708   4.113   5.105
  412   2HG   GLN  53          2HG       GLN  53  -5.716   3.172   3.969
  413   2HE2  GLN  53          2HE2      GLN  53  -7.037   3.586   2.242
  414   1HE2  GLN  53          1HE2      GLN  53  -8.621   2.862   2.066
  415    H    ASN  54           H        ASN  54  -6.813   0.788   8.138
  416    HA   ASN  54           HA       ASN  54  -4.631   0.226   9.976
  417   1HB   ASN  54          1HB       ASN  54  -6.154  -1.656  10.708
  418   2HB   ASN  54          2HB       ASN  54  -6.776  -0.007  10.947
  419   2HD2  ASN  54          2HD2      ASN  54  -8.343   0.820   9.481
  420   1HD2  ASN  54          1HD2      ASN  54  -9.259  -0.201   8.391
  421    H    TRP  55           H        TRP  55  -6.144  -1.268   7.087
  422    HA   TRP  55           HA       TRP  55  -4.497  -3.593   7.111
  423   1HB   TRP  55          1HB       TRP  55  -5.512  -4.081   5.019
  424   2HB   TRP  55          2HB       TRP  55  -6.753  -3.302   6.009
  425    HD1  TRP  55           HD1      TRP  55  -7.400  -0.729   5.288
  426    HE1  TRP  55           HE1      TRP  55  -7.251   0.479   3.063
  427    HE3  TRP  55           HE3      TRP  55  -4.223  -3.902   2.974
  428    HZ2  TRP  55           HZ2      TRP  55  -6.161  -0.048   0.493
  429    HZ3  TRP  55           HZ3      TRP  55  -3.995  -3.777   0.501
  430    HH2  TRP  55           HH2      TRP  55  -4.942  -1.835  -0.735
  431    H    VAL  56           H        VAL  56  -4.374  -0.494   5.386
  432    HA   VAL  56           HA       VAL  56  -2.058  -0.901   3.856
  433    HB   VAL  56           HB       VAL  56  -3.072   1.714   5.059
  434   1HG1  VAL  56          1HG1      VAL  56  -0.798   1.729   4.028
  435   2HG1  VAL  56          2HG1      VAL  56  -1.484   1.002   2.555
  436   3HG1  VAL  56          3HG1      VAL  56  -1.960   2.645   3.042
  437   1HG2  VAL  56          1HG2      VAL  56  -3.625   0.456   2.334
  438   2HG2  VAL  56          2HG2      VAL  56  -4.822   0.629   3.639
  439   3HG2  VAL  56          3HG2      VAL  56  -4.158   2.070   2.842
  440    H    LYS  57           H        LYS  57  -2.426   0.818   7.059
  441    HA   LYS  57           HA       LYS  57   0.330   1.147   7.477
  442   1HB   LYS  57          1HB       LYS  57  -0.164   1.802   9.657
  443   2HB   LYS  57          2HB       LYS  57  -1.606   2.259   8.719
  444   1HG   LYS  57          1HG       LYS  57  -2.725   0.192   9.513
  445   2HG   LYS  57          2HG       LYS  57  -1.302  -0.153  10.526
  446   1HD   LYS  57          1HD       LYS  57  -2.829   2.434  10.788
  447   2HD   LYS  57          2HD       LYS  57  -3.344   0.955  11.632
  448   1HE   LYS  57          1HE       LYS  57  -1.490   0.953  13.038
  449   2HE   LYS  57          2HE       LYS  57  -0.436   1.706  11.823
  450   1HZ   LYS  57          1HZ       LYS  57  -2.666   3.039  13.186
  451   2HZ   LYS  57          2HZ       LYS  57  -1.083   3.250  13.535
  452   3HZ   LYS  57          3HZ       LYS  57  -1.664   3.719  12.078
  453    H    ARG  58           H        ARG  58  -1.853  -1.600   8.504
  454    HA   ARG  58           HA       ARG  58  -0.012  -3.046   9.926
  455   1HB   ARG  58          1HB       ARG  58  -2.442  -3.733   8.327
  456   2HB   ARG  58          2HB       ARG  58  -1.392  -5.064   8.867
  457   1HG   ARG  58          1HG       ARG  58  -1.743  -3.163  11.025
  458   2HG   ARG  58          2HG       ARG  58  -3.333  -3.668  10.403
  459   1HD   ARG  58          1HD       ARG  58  -3.000  -5.891  10.976
  460   2HD   ARG  58          2HD       ARG  58  -1.244  -5.804  10.719
  461    HE   ARG  58           HE       ARG  58  -1.506  -4.182  12.822
  462   1HH1  ARG  58          1HH1      ARG  58  -1.480  -4.748  15.015
  463   2HH1  ARG  58          2HH1      ARG  58  -2.049  -6.321  15.519
  464   1HH2  ARG  58          1HH2      ARG  58  -2.880  -7.389  12.301
  465   2HH2  ARG  58          2HH2      ARG  58  -2.836  -7.807  13.996
  466    H    ALA  59           H        ALA  59  -0.621  -3.190   6.369
  467    HA   ALA  59           HA       ALA  59   1.350  -5.182   5.873
  468   1HB   ALA  59          1HB       ALA  59   0.127  -3.014   4.126
  469   2HB   ALA  59          2HB       ALA  59   1.010  -4.453   3.553
  470   3HB   ALA  59          3HB       ALA  59  -0.544  -4.639   4.405
  471    H    VAL  60           H        VAL  60   1.445  -1.559   5.739
  472    HA   VAL  60           HA       VAL  60   4.169  -1.326   5.055
  473    HB   VAL  60           HB       VAL  60   2.432   0.562   6.671
  474   1HG1  VAL  60          1HG1      VAL  60   4.925   1.145   5.021
  475   2HG1  VAL  60          2HG1      VAL  60   3.911   2.365   5.818
  476   3HG1  VAL  60          3HG1      VAL  60   4.820   1.198   6.797
  477   1HG2  VAL  60          1HG2      VAL  60   1.494  -0.047   4.471
  478   2HG2  VAL  60          2HG2      VAL  60   2.038   1.646   4.484
  479   3HG2  VAL  60          3HG2      VAL  60   3.032   0.400   3.694
  480    H    ASN  61           H        ASN  61   2.584  -1.866   8.196
  481    HA   ASN  61           HA       ASN  61   4.668  -1.330   9.925
  482   1HB   ASN  61          1HB       ASN  61   2.248  -1.841  10.458
  483   2HB   ASN  61          2HB       ASN  61   2.624  -3.560  10.213
  484   2HD2  ASN  61          2HD2      ASN  61   3.436  -0.668  12.058
  485   1HD2  ASN  61          1HD2      ASN  61   4.102  -1.482  13.453
  486    H    LEU  62           H        LEU  62   3.710  -4.574   8.663
  487    HA   LEU  62           HA       LEU  62   5.966  -5.971   9.503
  488   1HB   LEU  62          1HB       LEU  62   3.941  -6.290   7.311
  489   2HB   LEU  62          2HB       LEU  62   5.289  -7.442   7.464
  490    HG   LEU  62           HG       LEU  62   3.028  -8.009   8.500
  491   1HD1  LEU  62          1HD1      LEU  62   5.043  -9.305   8.813
  492   2HD1  LEU  62          2HD1      LEU  62   5.517  -8.271  10.182
  493   3HD1  LEU  62          3HD1      LEU  62   4.072  -9.296  10.300
  494   1HD2  LEU  62          1HD2      LEU  62   2.514  -5.983   9.716
  495   2HD2  LEU  62          2HD2      LEU  62   2.572  -7.366  10.823
  496   3HD2  LEU  62          3HD2      LEU  62   3.932  -6.230  10.761
  497    H    LEU  63           H        LEU  63   5.546  -3.946   6.612
  498    HA   LEU  63           HA       LEU  63   8.132  -4.449   5.483
  499   1HB   LEU  63          1HB       LEU  63   6.682  -3.672   3.941
  500   2HB   LEU  63          2HB       LEU  63   5.879  -2.566   5.082
  501    HG   LEU  63           HG       LEU  63   8.637  -1.900   4.212
  502   1HD1  LEU  63          1HD1      LEU  63   7.598  -2.553   2.088
  503   2HD1  LEU  63          2HD1      LEU  63   6.219  -1.479   2.424
  504   3HD1  LEU  63          3HD1      LEU  63   7.837  -0.793   2.156
  505   1HD2  LEU  63          1HD2      LEU  63   7.434  -0.531   5.853
  506   2HD2  LEU  63          2HD2      LEU  63   7.733   0.387   4.360
  507   3HD2  LEU  63          3HD2      LEU  63   6.116  -0.278   4.683
  508    H    SER  64           H        SER  64   6.915  -2.144   7.917
  509    HA   SER  64           HA       SER  64   9.057  -0.345   7.909
  510   1HB   SER  64          1HB       SER  64   6.816  -0.065   9.016
  511   2HB   SER  64          2HB       SER  64   7.375  -1.170  10.294
  512    HG   SER  64           HG       SER  64   7.711   1.053  10.859
  513    H    LEU  65           H        LEU  65   8.624  -3.505   9.588
  514    HA   LEU  65           HA       LEU  65  11.290  -3.297  10.739
  515   1HB   LEU  65          1HB       LEU  65   9.275  -5.572  10.738
  516   2HB   LEU  65          2HB       LEU  65  10.759  -5.482  11.717
  517    HG   LEU  65           HG       LEU  65   9.245  -3.056  12.051
  518   1HD1  LEU  65          1HD1      LEU  65   7.295  -4.376  11.374
  519   2HD1  LEU  65          2HD1      LEU  65   7.677  -5.594  12.615
  520   3HD1  LEU  65          3HD1      LEU  65   7.203  -3.950  13.099
  521   1HD2  LEU  65          1HD2      LEU  65  10.902  -3.917  13.643
  522   2HD2  LEU  65          2HD2      LEU  65   9.329  -3.674  14.437
  523   3HD2  LEU  65          3HD2      LEU  65   9.855  -5.313  13.993
  524    H    ARG  66           H        ARG  66   9.869  -4.495   7.799
  525    HA   ARG  66           HA       ARG  66  11.968  -6.415   7.179
  526   1HB   ARG  66          1HB       ARG  66   9.480  -6.490   6.533
  527   2HB   ARG  66          2HB       ARG  66   9.874  -5.244   5.325
  528   1HG   ARG  66          1HG       ARG  66  10.429  -6.890   3.917
  529   2HG   ARG  66          2HG       ARG  66  11.806  -7.266   4.980
  530   1HD   ARG  66          1HD       ARG  66  10.611  -8.947   6.138
  531   2HD   ARG  66          2HD       ARG  66   9.032  -8.313   5.624
  532    HE   ARG  66           HE       ARG  66  10.727 -10.151   4.215
  533   1HH1  ARG  66          1HH1      ARG  66  10.141 -10.912   2.159
  534   2HH1  ARG  66          2HH1      ARG  66   8.903 -10.090   1.240
  535   1HH2  ARG  66          1HH2      ARG  66   8.308  -7.639   3.631
  536   2HH2  ARG  66          2HH2      ARG  66   7.877  -8.264   2.060
  537    H    VAL  67           H        VAL  67  10.946  -3.191   5.844
  538    HA   VAL  67           HA       VAL  67  13.441  -2.962   4.316
  539    HB   VAL  67           HB       VAL  67  11.004  -2.494   3.540
  540   1HG1  VAL  67          1HG1      VAL  67  10.346  -0.841   5.229
  541   2HG1  VAL  67          2HG1      VAL  67  11.673   0.225   4.708
  542   3HG1  VAL  67          3HG1      VAL  67  10.322  -0.117   3.609
  543   1HG2  VAL  67          1HG2      VAL  67  13.058  -2.203   2.216
  544   2HG2  VAL  67          2HG2      VAL  67  11.905  -0.890   1.885
  545   3HG2  VAL  67          3HG2      VAL  67  13.303  -0.597   2.943
  546    H    LYS  68           H        LYS  68  13.477  -2.989   7.267
  547    HA   LYS  68           HA       LYS  68  15.214  -0.709   7.621
  548   1HB   LYS  68          1HB       LYS  68  12.608  -0.170   8.233
  549   2HB   LYS  68          2HB       LYS  68  13.187  -0.845   9.776
  550   1HG   LYS  68          1HG       LYS  68  15.101   0.820   9.637
  551   2HG   LYS  68          2HG       LYS  68  14.220   1.585   8.293
  552   1HD   LYS  68          1HD       LYS  68  13.408   2.841  10.045
  553   2HD   LYS  68          2HD       LYS  68  12.213   1.521  10.052
  554   1HE   LYS  68          1HE       LYS  68  13.322   0.416  11.875
  555   2HE   LYS  68          2HE       LYS  68  14.733   1.487  11.749
  556   1HZ   LYS  68          1HZ       LYS  68  13.244   3.313  12.292
  557   2HZ   LYS  68          2HZ       LYS  68  12.028   2.246  12.548
  558   3HZ   LYS  68          3HZ       LYS  68  13.353   2.214  13.484
  559    H    LYS  69           H        LYS  69  16.591  -2.468   7.768
  560    HA   LYS  69           HA       LYS  69  16.538  -4.616   9.505
  561   1HB   LYS  69          1HB       LYS  69  18.489  -3.235   7.907
  562   2HB   LYS  69          2HB       LYS  69  19.200  -3.576   9.503
  563   1HG   LYS  69          1HG       LYS  69  18.198  -5.960   9.201
  564   2HG   LYS  69          2HG       LYS  69  18.046  -5.520   7.484
  565   1HD   LYS  69          1HD       LYS  69  20.458  -5.053   7.378
  566   2HD   LYS  69          2HD       LYS  69  20.620  -5.457   9.104
  567   1HE   LYS  69          1HE       LYS  69  19.876  -7.766   8.647
  568   2HE   LYS  69          2HE       LYS  69  19.659  -7.369   6.928
  569   1HZ   LYS  69          1HZ       LYS  69  22.008  -6.844   6.860
  570   2HZ   LYS  69          2HZ       LYS  69  22.175  -7.297   8.430
  571   3HZ   LYS  69          3HZ       LYS  69  21.755  -8.393   7.302
  572    H    MET  70           H        MET  70  17.999  -4.908  11.463
  573    HA   MET  70           HA       MET  70  17.397  -2.723  13.386
  574   1HB   MET  70          1HB       MET  70  16.181  -4.853  13.706
  575   2HB   MET  70          2HB       MET  70  17.735  -5.709  13.835
  576   1HG   MET  70          1HG       MET  70  17.009  -5.390  16.061
  577   2HG   MET  70          2HG       MET  70  18.271  -4.176  15.795
  578   1HE   MET  70          1HE       MET  70  15.410  -4.721  17.716
  579   2HE   MET  70          2HE       MET  70  14.128  -3.553  17.302
  580   3HE   MET  70          3HE       MET  70  14.496  -4.908  16.202

  No H/Q in entry =         580
  Start of MODEL    5
    1    H1   ALA   1           H1       ALA   1  -6.230  21.921  -8.748
    2    H2   ALA   1           H2       ALA   1  -4.603  21.994  -8.676
    3    H3   ALA   1           H3       ALA   1  -5.354  20.545  -8.765
    4    HA   ALA   1           HA       ALA   1  -4.641  20.871  -6.545
    5   1HB   ALA   1          1HB       ALA   1  -4.466  23.325  -6.706
    6   2HB   ALA   1          2HB       ALA   1  -6.240  23.454  -6.735
    7   3HB   ALA   1          3HB       ALA   1  -5.417  22.847  -5.280
    8    H    SER   2           H        SER   2  -5.687  19.089  -6.024
    9    HA   SER   2           HA       SER   2  -8.043  18.911  -4.634
   10   1HB   SER   2          1HB       SER   2  -9.464  17.637  -6.335
   11   2HB   SER   2          2HB       SER   2  -9.422  19.409  -6.505
   12    HG   SER   2           HG       SER   2  -9.077  18.611  -8.561
   13    H    ASN   3           H        ASN   3  -8.844  16.515  -4.572
   14    HA   ASN   3           HA       ASN   3  -7.010  14.687  -3.866
   15   1HB   ASN   3          1HB       ASN   3  -9.649  14.347  -5.316
   16   2HB   ASN   3          2HB       ASN   3  -8.687  12.942  -4.805
   17   2HD2  ASN   3          2HD2      ASN   3  -8.540  12.407  -2.646
   18   1HD2  ASN   3          1HD2      ASN   3  -9.486  13.187  -1.393
   19    H    TYR   4           H        TYR   4  -5.508  13.465  -4.666
   20    HA   TYR   4           HA       TYR   4  -4.933  13.573  -7.543
   21   1HB   TYR   4          1HB       TYR   4  -3.399  13.390  -5.058
   22   2HB   TYR   4          2HB       TYR   4  -2.904  12.164  -6.237
   23    HD1  TYR   4           HD1      TYR   4  -1.595  12.724  -8.092
   24    HD2  TYR   4           HD2      TYR   4  -3.655  15.867  -5.938
   25    HE1  TYR   4           HE1      TYR   4  -0.149  14.435  -9.207
   26    HE2  TYR   4           HE2      TYR   4  -2.225  17.585  -7.064
   27    HH   TYR   4           HH       TYR   4  -0.423  17.919  -8.324
   28    H    ASP   5           H        ASP   5  -3.802  11.453  -8.313
   29    HA   ASP   5           HA       ASP   5  -4.843   8.953  -7.304
   30   1HB   ASP   5          1HB       ASP   5  -6.707  10.228  -8.704
   31   2HB   ASP   5          2HB       ASP   5  -5.746   9.675 -10.092
   32    HD2  ASP   5           HD2      ASP   5  -7.764   6.886  -9.802
   33    H    CYS   6           H        CYS   6  -2.316   9.505  -7.379
   34    HA   CYS   6           HA       CYS   6  -0.800   9.489  -9.610
   35   1HB   CYS   6          1HB       CYS   6   0.874   8.154  -8.210
   36   2HB   CYS   6          2HB       CYS   6   0.344   9.770  -7.679
   37    H    CYS   7           H        CYS   7  -0.948   6.287  -7.899
   38    HA   CYS   7           HA       CYS   7  -0.610   4.699 -10.166
   39   1HB   CYS   7          1HB       CYS   7  -0.766   3.072  -8.695
   40   2HB   CYS   7          2HB       CYS   7  -0.998   4.344  -7.469
   41    H    LEU   8           H        LEU   8  -2.363   3.186 -11.068
   42    HA   LEU   8           HA       LEU   8  -4.008   4.349 -12.817
   43   1HB   LEU   8          1HB       LEU   8  -4.083   1.749 -11.345
   44   2HB   LEU   8          2HB       LEU   8  -5.533   2.189 -12.279
   45    HG   LEU   8           HG       LEU   8  -3.008   2.687 -13.704
   46   1HD1  LEU   8          1HD1      LEU   8  -2.309   0.696 -12.471
   47   2HD1  LEU   8          2HD1      LEU   8  -3.762  -0.169 -13.028
   48   3HD1  LEU   8          3HD1      LEU   8  -2.524   0.332 -14.200
   49   1HD2  LEU   8          1HD2      LEU   8  -5.229   2.859 -14.732
   50   2HD2  LEU   8          2HD2      LEU   8  -4.252   1.608 -15.536
   51   3HD2  LEU   8          3HD2      LEU   8  -5.530   1.137 -14.393
   52    H    SER   9           H        SER   9  -5.218   3.264  -9.625
   53    HA   SER   9           HA       SER   9  -6.663   5.624  -9.100
   54   1HB   SER   9          1HB       SER   9  -8.920   4.492  -8.945
   55   2HB   SER   9          2HB       SER   9  -8.349   4.861 -10.590
   56    HG   SER   9           HG       SER   9  -9.156   2.745 -10.539
   57    H    TYR  10           H        TYR  10  -7.087   5.775  -6.969
   58    HA   TYR  10           HA       TYR  10  -5.957   4.448  -4.914
   59   1HB   TYR  10          1HB       TYR  10  -7.563   6.450  -4.890
   60   2HB   TYR  10          2HB       TYR  10  -8.885   5.271  -4.856
   61    HD1  TYR  10           HD1      TYR  10  -9.029   3.639  -2.847
   62    HD2  TYR  10           HD2      TYR  10  -6.503   7.148  -2.928
   63    HE1  TYR  10           HE1      TYR  10  -8.773   3.490  -0.370
   64    HE2  TYR  10           HE2      TYR  10  -6.301   7.038  -0.430
   65    HH   TYR  10           HH       TYR  10  -7.031   5.970   1.448
   66    H    ILE  11           H        ILE  11  -6.381   2.651  -3.568
   67    HA   ILE  11           HA       ILE  11  -7.496   0.361  -4.728
   68    HB   ILE  11           HB       ILE  11  -5.796   0.390  -2.961
   69   1HG1  ILE  11          1HG1      ILE  11  -6.524  -1.595  -1.809
   70   2HG1  ILE  11          2HG1      ILE  11  -8.226  -1.231  -2.181
   71   1HG2  ILE  11          1HG2      ILE  11  -6.767   2.030  -1.410
   72   2HG2  ILE  11          2HG2      ILE  11  -8.102   0.907  -1.057
   73   3HG2  ILE  11          3HG2      ILE  11  -6.444   0.497  -0.577
   74   1HD1  ILE  11          1HD1      ILE  11  -6.071  -1.933  -4.209
   75   2HD1  ILE  11          2HD1      ILE  11  -7.355  -3.025  -3.652
   76   3HD1  ILE  11          3HD1      ILE  11  -7.774  -1.572  -4.579
   77    H    GLN  12           H        GLN  12  -9.458   1.031  -5.608
   78    HA   GLN  12           HA       GLN  12 -11.686   1.832  -4.241
   79   1HB   GLN  12          1HB       GLN  12 -12.995   1.027  -6.098
   80   2HB   GLN  12          2HB       GLN  12 -11.457   1.699  -6.693
   81   1HG   GLN  12          1HG       GLN  12 -10.553  -0.519  -7.032
   82   2HG   GLN  12          2HG       GLN  12 -11.973  -1.262  -6.267
   83   2HE2  GLN  12          2HE2      GLN  12 -11.374  -2.292  -8.549
   84   1HE2  GLN  12          1HE2      GLN  12 -12.440  -1.770  -9.835
   85    H    THR  13           H        THR  13 -10.143  -1.168  -3.972
   86    HA   THR  13           HA       THR  13 -12.176  -2.213  -2.187
   87    HB   THR  13           HB       THR  13 -11.537  -3.415  -4.806
   88    HG1  THR  13           HG1      THR  13 -13.846  -4.032  -4.290
   89   1HG2  THR  13          1HG2      THR  13 -12.112  -5.233  -2.452
   90   2HG2  THR  13          2HG2      THR  13 -12.169  -5.711  -4.160
   91   3HG2  THR  13          3HG2      THR  13 -10.626  -5.223  -3.433
   92    HA   PRO  14           HA       PRO  14  -8.165  -2.672  -0.203
   93   1HB   PRO  14          1HB       PRO  14  -9.261  -2.544   2.358
   94   2HB   PRO  14          2HB       PRO  14  -8.644  -1.172   1.382
   95   1HG   PRO  14          1HG       PRO  14 -11.447  -1.985   1.899
   96   2HG   PRO  14          2HG       PRO  14 -10.774  -0.343   1.642
   97   1HD   PRO  14          1HD       PRO  14 -12.156  -1.839  -0.272
   98   2HD   PRO  14          2HD       PRO  14 -10.974  -0.552  -0.660
   99    H    LEU  15           H        LEU  15  -7.443  -4.727  -0.453
  100    HA   LEU  15           HA       LEU  15  -9.167  -6.893   0.548
  101   1HB   LEU  15          1HB       LEU  15  -7.698  -8.338  -0.896
  102   2HB   LEU  15          2HB       LEU  15  -8.776  -7.189  -1.727
  103    HG   LEU  15           HG       LEU  15  -5.958  -6.334  -1.246
  104   1HD1  LEU  15          1HD1      LEU  15  -5.781  -8.705  -1.954
  105   2HD1  LEU  15          2HD1      LEU  15  -6.847  -8.369  -3.338
  106   3HD1  LEU  15          3HD1      LEU  15  -5.241  -7.606  -3.248
  107   1HD2  LEU  15          1HD2      LEU  15  -7.860  -6.130  -3.616
  108   2HD2  LEU  15          2HD2      LEU  15  -7.565  -4.857  -2.407
  109   3HD2  LEU  15          3HD2      LEU  15  -6.259  -5.363  -3.503
  110    HA   PRO  16           HA       PRO  16  -6.517  -7.651   3.944
  111   1HB   PRO  16          1HB       PRO  16  -6.475 -10.377   4.288
  112   2HB   PRO  16          2HB       PRO  16  -7.915  -9.361   4.620
  113   1HG   PRO  16          1HG       PRO  16  -7.321 -11.002   2.165
  114   2HG   PRO  16          2HG       PRO  16  -8.858 -10.896   3.083
  115   1HD   PRO  16          1HD       PRO  16  -8.381  -9.497   0.764
  116   2HD   PRO  16          2HD       PRO  16  -9.396  -8.842   2.084
  117    H    SER  17           H        SER  17  -4.333  -8.021   4.485
  118    HA   SER  17           HA       SER  17  -2.440  -8.173   2.498
  119   1HB   SER  17          1HB       SER  17  -0.759  -8.472   4.218
  120   2HB   SER  17          2HB       SER  17  -1.999  -7.323   4.777
  121    HG   SER  17           HG       SER  17  -1.265  -9.123   6.272
  122    H    ARG  18           H        ARG  18  -4.161 -10.813   3.836
  123    HA   ARG  18           HA       ARG  18  -2.525 -13.026   3.285
  124   1HB   ARG  18          1HB       ARG  18  -5.305 -12.357   3.881
  125   2HB   ARG  18          2HB       ARG  18  -5.180 -13.737   2.763
  126   1HG   ARG  18          1HG       ARG  18  -3.974 -15.032   4.277
  127   2HG   ARG  18          2HG       ARG  18  -3.339 -13.613   5.145
  128   1HD   ARG  18          1HD       ARG  18  -6.294 -14.227   5.219
  129   2HD   ARG  18          2HD       ARG  18  -5.176 -15.118   6.274
  130    HE   ARG  18           HE       ARG  18  -4.460 -12.489   6.595
  131   1HH1  ARG  18          1HH1      ARG  18  -5.186 -11.167   8.324
  132   2HH1  ARG  18          2HH1      ARG  18  -6.706 -11.520   9.104
  133   1HH2  ARG  18          1HH2      ARG  18  -7.472 -14.260   7.090
  134   2HH2  ARG  18          2HH2      ARG  18  -7.987 -13.249   8.414
  135    H    ALA  19           H        ALA  19  -4.071 -10.829   1.066
  136    HA   ALA  19           HA       ALA  19  -3.598 -12.636  -1.220
  137   1HB   ALA  19          1HB       ALA  19  -5.166 -11.127  -2.387
  138   2HB   ALA  19          2HB       ALA  19  -5.901 -11.803  -0.911
  139   3HB   ALA  19          3HB       ALA  19  -5.303 -10.127  -0.918
  140    H    ILE  20           H        ILE  20  -1.915 -10.313   0.475
  141    HA   ILE  20           HA       ILE  20  -0.840  -8.878  -1.864
  142    HB   ILE  20           HB       ILE  20  -0.927  -8.350   1.112
  143   1HG1  ILE  20          1HG1      ILE  20  -1.587  -6.048   0.240
  144   2HG1  ILE  20          2HG1      ILE  20  -1.755  -6.823  -1.353
  145   1HG2  ILE  20          1HG2      ILE  20   1.407  -7.973   0.419
  146   2HG2  ILE  20          2HG2      ILE  20   0.849  -6.906  -0.892
  147   3HG2  ILE  20          3HG2      ILE  20   0.610  -6.433   0.804
  148   1HD1  ILE  20          1HD1      ILE  20  -3.361  -7.474   1.120
  149   2HD1  ILE  20          2HD1      ILE  20  -3.944  -6.537  -0.265
  150   3HD1  ILE  20          3HD1      ILE  20  -3.531  -8.248  -0.475
  151    H    VAL  21           H        VAL  21   0.697  -9.991  -2.764
  152    HA   VAL  21           HA       VAL  21   2.444 -11.688  -1.202
  153    HB   VAL  21           HB       VAL  21   3.451 -12.325  -3.328
  154   1HG1  VAL  21          1HG1      VAL  21   1.574 -13.570  -2.342
  155   2HG1  VAL  21          2HG1      VAL  21   0.420 -12.545  -3.228
  156   3HG1  VAL  21          3HG1      VAL  21   1.503 -13.638  -4.117
  157   1HG2  VAL  21          1HG2      VAL  21   3.081 -10.359  -4.728
  158   2HG2  VAL  21          2HG2      VAL  21   2.393 -11.802  -5.497
  159   3HG2  VAL  21          3HG2      VAL  21   1.324 -10.647  -4.680
  160    H    GLY  22           H        GLY  22   2.686  -8.680  -3.064
  161   1HA   GLY  22          1HA       GLY  22   5.116  -7.890  -3.495
  162   2HA   GLY  22          2HA       GLY  22   5.224  -8.008  -1.725
  163    H    PHE  23           H        PHE  23   5.655  -5.667  -1.963
  164    HA   PHE  23           HA       PHE  23   3.870  -3.788  -2.940
  165   1HB   PHE  23          1HB       PHE  23   2.878  -2.849  -0.937
  166   2HB   PHE  23          2HB       PHE  23   2.304  -4.500  -1.232
  167    HD1  PHE  23           HD1      PHE  23   3.672  -6.421   0.047
  168    HD2  PHE  23           HD2      PHE  23   3.552  -2.222   1.121
  169    HE1  PHE  23           HE1      PHE  23   4.467  -6.999   2.353
  170    HE2  PHE  23           HE2      PHE  23   4.242  -2.821   3.450
  171    HZ   PHE  23           HZ       PHE  23   4.748  -5.180   4.013
  172    H    THR  24           H        THR  24   4.302  -1.597  -2.207
  173    HA   THR  24           HA       THR  24   6.903  -1.178  -0.860
  174    HB   THR  24           HB       THR  24   6.365   0.271  -3.425
  175    HG1  THR  24           HG1      THR  24   7.686  -1.599  -4.414
  176   1HG2  THR  24          1HG2      THR  24   8.306   0.837  -2.000
  177   2HG2  THR  24          2HG2      THR  24   8.873  -0.846  -2.103
  178   3HG2  THR  24          3HG2      THR  24   8.838   0.171  -3.560
  179    H    ARG  25           H        ARG  25   7.281   1.234  -0.546
  180    HA   ARG  25           HA       ARG  25   4.785   2.424   0.475
  181   1HB   ARG  25          1HB       ARG  25   7.686   3.286   0.826
  182   2HB   ARG  25          2HB       ARG  25   6.274   3.929   1.698
  183   1HG   ARG  25          1HG       ARG  25   6.114   1.200   2.181
  184   2HG   ARG  25          2HG       ARG  25   7.866   1.512   2.213
  185   1HD   ARG  25          1HD       ARG  25   7.180   1.893   4.452
  186   2HD   ARG  25          2HD       ARG  25   7.276   3.523   3.755
  187    HE   ARG  25           HE       ARG  25   4.679   2.186   3.582
  188   1HH1  ARG  25          1HH1      ARG  25   2.909   3.150   4.664
  189   2HH1  ARG  25          2HH1      ARG  25   3.195   4.389   5.860
  190   1HH2  ARG  25          1HH2      ARG  25   6.660   4.394   5.494
  191   2HH2  ARG  25          2HH2      ARG  25   5.292   5.087   6.327
  192    H    GLN  26           H        GLN  26   3.942   4.351  -0.296
  193    HA   GLN  26           HA       GLN  26   5.482   5.751  -2.413
  194   1HB   GLN  26          1HB       GLN  26   3.488   4.270  -3.173
  195   2HB   GLN  26          2HB       GLN  26   2.474   5.515  -2.401
  196   1HG   GLN  26          1HG       GLN  26   3.497   7.232  -3.874
  197   2HG   GLN  26          2HG       GLN  26   4.458   5.963  -4.663
  198   2HE2  GLN  26          2HE2      GLN  26   1.084   6.599  -3.674
  199   1HE2  GLN  26          1HE2      GLN  26   0.331   5.979  -5.128
  200    H    MET  27           H        MET  27   6.118   7.434  -1.293
  201    HA   MET  27           HA       MET  27   4.576   8.843   0.671
  202   1HB   MET  27          1HB       MET  27   7.119   9.568  -0.835
  203   2HB   MET  27          2HB       MET  27   6.484  10.409   0.599
  204   1HG   MET  27          1HG       MET  27   6.871   8.510   2.000
  205   2HG   MET  27          2HG       MET  27   7.170   7.453   0.611
  206   1HE   MET  27          1HE       MET  27   9.134   8.940  -1.255
  207   2HE   MET  27          2HE       MET  27  10.722   8.493  -0.591
  208   3HE   MET  27          3HE       MET  27   9.421   7.283  -0.673
  209    H    ALA  28           H        ALA  28   4.187  11.205   0.504
  210    HA   ALA  28           HA       ALA  28   2.851  11.904  -2.036
  211   1HB   ALA  28          1HB       ALA  28   1.732  13.581  -0.597
  212   2HB   ALA  28          2HB       ALA  28   1.542  11.941   0.076
  213   3HB   ALA  28          3HB       ALA  28   2.727  13.062   0.787
  214    H    ASP  29           H        ASP  29   4.269  12.925  -3.392
  215    HA   ASP  29           HA       ASP  29   5.284  15.390  -3.088
  216   1HB   ASP  29          1HB       ASP  29   7.085  13.590  -1.690
  217   2HB   ASP  29          2HB       ASP  29   7.898  14.387  -3.055
  218    HD2  ASP  29           HD2      ASP  29   7.161  16.459   0.161
  219    H    GLU  30           H        GLU  30   6.603  12.248  -4.192
  220    HA   GLU  30           HA       GLU  30   7.828  13.183  -6.571
  221   1HB   GLU  30          1HB       GLU  30   7.972  10.977  -5.053
  222   2HB   GLU  30          2HB       GLU  30   6.856  10.366  -6.297
  223   1HG   GLU  30          1HG       GLU  30   8.937   9.783  -7.163
  224   2HG   GLU  30          2HG       GLU  30   8.598  11.321  -7.985
  225    H    ALA  31           H        ALA  31   6.583  10.961  -8.315
  226    HA   ALA  31           HA       ALA  31   4.730  12.321  -9.839
  227   1HB   ALA  31          1HB       ALA  31   4.180  10.097 -10.745
  228   2HB   ALA  31          2HB       ALA  31   5.934  10.282 -10.512
  229   3HB   ALA  31          3HB       ALA  31   4.978   9.329  -9.352
  230    H    CYS  32           H        CYS  32   4.237  10.871  -6.730
  231    HA   CYS  32           HA       CYS  32   1.311  11.069  -6.967
  232   1HB   CYS  32          1HB       CYS  32   2.419   8.875  -6.109
  233   2HB   CYS  32          2HB       CYS  32   2.747   9.817  -4.633
  234    H    ASP  33           H        ASP  33   0.251  12.471  -5.677
  235    HA   ASP  33           HA       ASP  33   1.866  14.295  -3.996
  236   1HB   ASP  33          1HB       ASP  33   0.513  15.170  -5.878
  237   2HB   ASP  33          2HB       ASP  33  -0.946  14.521  -5.099
  238    HD2  ASP  33           HD2      ASP  33   0.727  17.767  -3.523
  239    H    ILE  34           H        ILE  34   0.077  11.501  -3.590
  240    HA   ILE  34           HA       ILE  34  -0.693  12.260  -0.865
  241    HB   ILE  34           HB       ILE  34  -2.669  10.833  -0.957
  242   1HG1  ILE  34          1HG1      ILE  34  -2.162  10.679  -3.920
  243   2HG1  ILE  34          2HG1      ILE  34  -2.034   9.349  -2.744
  244   1HG2  ILE  34          1HG2      ILE  34  -2.826  13.270  -1.206
  245   2HG2  ILE  34          2HG2      ILE  34  -2.659  13.116  -2.972
  246   3HG2  ILE  34          3HG2      ILE  34  -4.094  12.452  -2.151
  247   1HD1  ILE  34          1HD1      ILE  34  -4.587  10.816  -3.499
  248   2HD1  ILE  34          2HD1      ILE  34  -4.139   9.189  -4.045
  249   3HD1  ILE  34          3HD1      ILE  34  -4.457   9.485  -2.324
  250    H    ASN  35           H        ASN  35  -0.661  10.396   0.582
  251    HA   ASN  35           HA       ASN  35   1.598   8.645  -0.143
  252   1HB   ASN  35          1HB       ASN  35   0.858   9.962   2.154
  253   2HB   ASN  35          2HB       ASN  35   0.209   8.334   2.452
  254   2HD2  ASN  35          2HD2      ASN  35   2.796  10.248   2.914
  255   1HD2  ASN  35          1HD2      ASN  35   4.057   9.046   3.062
  256    H    ALA  36           H        ALA  36   1.380   6.507  -0.624
  257    HA   ALA  36           HA       ALA  36  -1.104   5.112  -0.096
  258   1HB   ALA  36          1HB       ALA  36  -1.503   4.443  -2.438
  259   2HB   ALA  36          2HB       ALA  36  -0.180   5.508  -2.966
  260   3HB   ALA  36          3HB       ALA  36  -1.645   6.204  -2.232
  261    H    ILE  37           H        ILE  37  -0.902   2.806  -0.208
  262    HA   ILE  37           HA       ILE  37   1.889   1.937  -0.292
  263    HB   ILE  37           HB       ILE  37  -0.627   0.569   0.662
  264   1HG1  ILE  37          1HG1      ILE  37  -0.318   2.444   2.002
  265   2HG1  ILE  37          2HG1      ILE  37   0.350   1.076   2.923
  266   1HG2  ILE  37          1HG2      ILE  37   1.066  -1.078   0.060
  267   2HG2  ILE  37          2HG2      ILE  37   2.255  -0.253   1.096
  268   3HG2  ILE  37          3HG2      ILE  37   0.833  -1.034   1.821
  269   1HD1  ILE  37          1HD1      ILE  37   1.962   3.178   1.440
  270   2HD1  ILE  37          2HD1      ILE  37   1.748   3.102   3.199
  271   3HD1  ILE  37          3HD1      ILE  37   2.629   1.809   2.363
  272    H    ILE  38           H        ILE  38   2.621   1.430  -2.093
  273    HA   ILE  38           HA       ILE  38   1.143   0.600  -4.406
  274    HB   ILE  38           HB       ILE  38   4.112   0.685  -3.791
  275   1HG1  ILE  38          1HG1      ILE  38   2.467   2.448  -5.640
  276   2HG1  ILE  38          2HG1      ILE  38   2.803   2.870  -3.945
  277   1HG2  ILE  38          1HG2      ILE  38   3.624  -0.966  -5.563
  278   2HG2  ILE  38          2HG2      ILE  38   2.691   0.264  -6.448
  279   3HG2  ILE  38          3HG2      ILE  38   4.445   0.460  -6.235
  280   1HD1  ILE  38          1HD1      ILE  38   4.893   2.416  -6.113
  281   2HD1  ILE  38          2HD1      ILE  38   4.393   3.998  -5.476
  282   3HD1  ILE  38          3HD1      ILE  38   5.228   2.840  -4.417
  283    H    PHE  39           H        PHE  39  -0.005  -1.122  -3.309
  284    HA   PHE  39           HA       PHE  39   1.262  -3.568  -2.479
  285   1HB   PHE  39          1HB       PHE  39  -1.573  -2.819  -3.186
  286   2HB   PHE  39          2HB       PHE  39  -1.108  -4.498  -2.858
  287    HD1  PHE  39           HD1      PHE  39   0.526  -4.703  -0.731
  288    HD2  PHE  39           HD2      PHE  39  -2.441  -1.624  -1.302
  289    HE1  PHE  39           HE1      PHE  39   0.193  -4.592   1.728
  290    HE2  PHE  39           HE2      PHE  39  -2.708  -1.457   1.182
  291    HZ   PHE  39           HZ       PHE  39  -1.459  -2.992   2.678
  292    H    HIS  40           H        HIS  40   1.411  -5.536  -3.513
  293    HA   HIS  40           HA       HIS  40   0.918  -5.601  -6.441
  294   1HB   HIS  40          1HB       HIS  40   3.384  -6.610  -4.968
  295   2HB   HIS  40          2HB       HIS  40   3.063  -6.751  -6.707
  296    HD1  HIS  40           HD1      HIS  40   2.300  -3.863  -7.402
  297    HD2  HIS  40           HD2      HIS  40   5.159  -4.807  -4.610
  298    HE1  HIS  40           HE1      HIS  40   4.042  -1.995  -7.523
  299    HE2  HIS  40           HE2      HIS  40   5.451  -2.414  -5.421
  300    H    THR  41           H        THR  41  -1.032  -6.545  -5.246
  301    HA   THR  41           HA       THR  41  -0.878  -9.034  -3.906
  302    HB   THR  41           HB       THR  41  -3.226  -9.140  -4.167
  303    HG1  THR  41           HG1      THR  41  -4.090  -7.284  -5.731
  304   1HG2  THR  41          1HG2      THR  41  -2.486  -7.328  -2.698
  305   2HG2  THR  41          2HG2      THR  41  -2.476  -6.204  -4.080
  306   3HG2  THR  41          3HG2      THR  41  -4.009  -6.901  -3.508
  307    H    LYS  42           H        LYS  42  -2.221 -10.994  -4.977
  308    HA   LYS  42           HA       LYS  42  -0.764 -11.606  -7.492
  309   1HB   LYS  42          1HB       LYS  42  -0.488 -12.954  -5.360
  310   2HB   LYS  42          2HB       LYS  42  -2.151 -13.533  -5.628
  311   1HG   LYS  42          1HG       LYS  42  -0.443 -13.838  -7.995
  312   2HG   LYS  42          2HG       LYS  42   0.169 -14.721  -6.575
  313   1HD   LYS  42          1HD       LYS  42  -2.148 -15.688  -6.287
  314   2HD   LYS  42          2HD       LYS  42  -2.586 -14.946  -7.845
  315   1HE   LYS  42          1HE       LYS  42  -0.353 -16.973  -7.447
  316   2HE   LYS  42          2HE       LYS  42  -1.982 -17.357  -8.044
  317   1HZ   LYS  42          1HZ       LYS  42  -0.095 -15.525  -9.313
  318   2HZ   LYS  42          2HZ       LYS  42  -0.419 -17.053  -9.805
  319   3HZ   LYS  42          3HZ       LYS  42  -1.580 -15.906  -9.888
  320    H    LYS  43           H        LYS  43  -3.640 -10.302  -6.745
  321    HA   LYS  43           HA       LYS  43  -4.944 -11.455  -9.114
  322   1HB   LYS  43          1HB       LYS  43  -5.738 -12.394  -6.748
  323   2HB   LYS  43          2HB       LYS  43  -6.680 -10.884  -6.736
  324   1HG   LYS  43          1HG       LYS  43  -7.080 -11.745  -9.307
  325   2HG   LYS  43          2HG       LYS  43  -6.961 -13.295  -8.439
  326   1HD   LYS  43          1HD       LYS  43  -8.721 -12.587  -6.896
  327   2HD   LYS  43          2HD       LYS  43  -8.815 -11.005  -7.705
  328   1HE   LYS  43          1HE       LYS  43  -9.263 -13.594  -9.212
  329   2HE   LYS  43          2HE       LYS  43 -10.579 -12.788  -8.330
  330   1HZ   LYS  43          1HZ       LYS  43  -8.968 -11.556 -10.455
  331   2HZ   LYS  43          2HZ       LYS  43 -10.477 -12.171 -10.631
  332   3HZ   LYS  43          3HZ       LYS  43 -10.239 -10.874  -9.668
  333    H    ARG  44           H        ARG  44  -3.515  -8.866  -8.290
  334    HA   ARG  44           HA       ARG  44  -5.152  -7.061  -9.753
  335   1HB   ARG  44          1HB       ARG  44  -5.632  -7.102  -6.942
  336   2HB   ARG  44          2HB       ARG  44  -4.591  -5.694  -7.257
  337   1HG   ARG  44          1HG       ARG  44  -6.143  -4.857  -8.929
  338   2HG   ARG  44          2HG       ARG  44  -7.147  -6.320  -8.780
  339   1HD   ARG  44          1HD       ARG  44  -6.990  -5.425  -6.156
  340   2HD   ARG  44          2HD       ARG  44  -7.062  -3.907  -7.078
  341    HE   ARG  44           HE       ARG  44  -9.188  -4.449  -7.829
  342   1HH1  ARG  44          1HH1      ARG  44 -11.167  -5.572  -7.757
  343   2HH1  ARG  44          2HH1      ARG  44 -11.254  -7.152  -7.016
  344   1HH2  ARG  44          1HH2      ARG  44  -7.879  -7.272  -6.152
  345   2HH2  ARG  44          2HH2      ARG  44  -9.412  -8.104  -6.116
  346    H    LYS  45           H        LYS  45  -3.743  -5.796 -10.788
  347    HA   LYS  45           HA       LYS  45  -0.938  -5.897 -10.408
  348   1HB   LYS  45          1HB       LYS  45  -2.815  -4.777 -12.231
  349   2HB   LYS  45          2HB       LYS  45  -1.793  -3.434 -11.663
  350   1HG   LYS  45          1HG       LYS  45   0.140  -5.266 -11.996
  351   2HG   LYS  45          2HG       LYS  45  -1.031  -5.927 -13.163
  352   1HD   LYS  45          1HD       LYS  45  -1.056  -3.873 -14.422
  353   2HD   LYS  45          2HD       LYS  45  -0.141  -3.016 -13.159
  354   1HE   LYS  45          1HE       LYS  45   1.548  -5.114 -13.678
  355   2HE   LYS  45          2HE       LYS  45   0.822  -4.871 -15.282
  356   1HZ   LYS  45          1HZ       LYS  45   2.032  -2.786 -13.620
  357   2HZ   LYS  45          2HZ       LYS  45   2.730  -3.477 -14.924
  358   3HZ   LYS  45          3HZ       LYS  45   1.401  -2.554 -15.114
  359    H    SER  46           H        SER  46   0.152  -3.400 -10.285
  360    HA   SER  46           HA       SER  46   0.501  -2.789  -7.676
  361   1HB   SER  46          1HB       SER  46   0.623  -0.307  -9.020
  362   2HB   SER  46          2HB       SER  46   1.962  -1.424  -8.658
  363    HG   SER  46           HG       SER  46   1.797  -0.886 -10.915
  364    H    VAL  47           H        VAL  47  -0.720  -2.208  -6.122
  365    HA   VAL  47           HA       VAL  47  -3.239  -0.699  -6.656
  366    HB   VAL  47           HB       VAL  47  -2.395  -2.927  -4.912
  367   1HG1  VAL  47          1HG1      VAL  47  -2.961  -1.353  -3.161
  368   2HG1  VAL  47          2HG1      VAL  47  -4.547  -1.062  -3.915
  369   3HG1  VAL  47          3HG1      VAL  47  -4.166  -2.653  -3.233
  370   1HG2  VAL  47          1HG2      VAL  47  -3.741  -3.290  -6.894
  371   2HG2  VAL  47          2HG2      VAL  47  -4.636  -3.771  -5.436
  372   3HG2  VAL  47          3HG2      VAL  47  -5.016  -2.234  -6.243
  373    H    CYS  48           H        CYS  48  -3.575   1.237  -5.599
  374    HA   CYS  48           HA       CYS  48  -1.384   2.063  -3.802
  375   1HB   CYS  48          1HB       CYS  48  -1.918   4.399  -4.361
  376   2HB   CYS  48          2HB       CYS  48  -1.231   3.433  -5.690
  377    H    ALA  49           H        ALA  49  -2.060   1.570  -1.874
  378    HA   ALA  49           HA       ALA  49  -4.756   2.484  -1.066
  379   1HB   ALA  49          1HB       ALA  49  -4.195   0.076  -1.046
  380   2HB   ALA  49          2HB       ALA  49  -4.468   0.691   0.606
  381   3HB   ALA  49          3HB       ALA  49  -2.809   0.403   0.020
  382    H    ASP  50           H        ASP  50  -4.845   4.391   0.080
  383    HA   ASP  50           HA       ASP  50  -2.637   5.755   1.087
  384   1HB   ASP  50          1HB       ASP  50  -5.385   6.138   0.970
  385   2HB   ASP  50          2HB       ASP  50  -5.044   6.124   2.714
  386    HD2  ASP  50           HD2      ASP  50  -3.995   9.354   2.562
  387    HA   PRO  51           HA       PRO  51  -1.576   3.402   4.704
  388   1HB   PRO  51          1HB       PRO  51   0.475   4.907   5.666
  389   2HB   PRO  51          2HB       PRO  51   0.577   3.927   4.167
  390   1HG   PRO  51          1HG       PRO  51   0.032   6.872   4.430
  391   2HG   PRO  51          2HG       PRO  51   1.146   6.049   3.290
  392   1HD   PRO  51          1HD       PRO  51  -1.411   6.878   2.626
  393   2HD   PRO  51          2HD       PRO  51  -0.625   5.454   1.877
  394    H    LYS  52           H        LYS  52  -3.875   4.427   5.037
  395    HA   LYS  52           HA       LYS  52  -3.829   5.812   7.669
  396   1HB   LYS  52          1HB       LYS  52  -6.085   5.962   5.667
  397   2HB   LYS  52          2HB       LYS  52  -5.859   6.920   7.150
  398   1HG   LYS  52          1HG       LYS  52  -4.360   7.131   4.540
  399   2HG   LYS  52          2HG       LYS  52  -5.435   8.333   5.296
  400   1HD   LYS  52          1HD       LYS  52  -3.292   7.787   7.118
  401   2HD   LYS  52          2HD       LYS  52  -2.594   8.087   5.508
  402   1HE   LYS  52          1HE       LYS  52  -2.721  10.247   6.389
  403   2HE   LYS  52          2HE       LYS  52  -4.243  10.139   5.480
  404   1HZ   LYS  52          1HZ       LYS  52  -5.285   9.430   7.556
  405   2HZ   LYS  52          2HZ       LYS  52  -3.871   9.672   8.341
  406   3HZ   LYS  52          3HZ       LYS  52  -4.640  10.935   7.654
  407    H    GLN  53           H        GLN  53  -5.497   3.456   5.555
  408    HA   GLN  53           HA       GLN  53  -7.341   2.434   7.430
  409   1HB   GLN  53          1HB       GLN  53  -5.996   1.010   5.112
  410   2HB   GLN  53          2HB       GLN  53  -7.588   0.657   5.826
  411   1HG   GLN  53          1HG       GLN  53  -7.824   3.316   5.061
  412   2HG   GLN  53          2HG       GLN  53  -6.829   2.614   3.766
  413   2HE2  GLN  53          2HE2      GLN  53  -8.178   2.362   2.094
  414   1HE2  GLN  53          1HE2      GLN  53  -9.718   1.529   2.142
  415    H    ASN  54           H        ASN  54  -7.271   0.108   8.196
  416    HA   ASN  54           HA       ASN  54  -4.892  -0.267   9.807
  417   1HB   ASN  54          1HB       ASN  54  -6.226  -2.210  10.739
  418   2HB   ASN  54          2HB       ASN  54  -6.950  -0.602  10.954
  419   2HD2  ASN  54          2HD2      ASN  54  -8.683   0.037   9.578
  420   1HD2  ASN  54          1HD2      ASN  54  -9.627  -1.117   8.658
  421    H    TRP  55           H        TRP  55  -6.711  -2.345   7.432
  422    HA   TRP  55           HA       TRP  55  -4.976  -4.390   7.178
  423   1HB   TRP  55          1HB       TRP  55  -6.021  -4.863   5.096
  424   2HB   TRP  55          2HB       TRP  55  -7.232  -4.027   6.077
  425    HD1  TRP  55           HD1      TRP  55  -7.842  -1.475   5.317
  426    HE1  TRP  55           HE1      TRP  55  -7.561  -0.208   3.152
  427    HE3  TRP  55           HE3      TRP  55  -4.730  -4.725   3.037
  428    HZ2  TRP  55           HZ2      TRP  55  -6.319  -0.651   0.630
  429    HZ3  TRP  55           HZ3      TRP  55  -4.375  -4.493   0.591
  430    HH2  TRP  55           HH2      TRP  55  -5.169  -2.481  -0.616
  431    H    VAL  56           H        VAL  56  -4.706  -1.276   5.544
  432    HA   VAL  56           HA       VAL  56  -2.365  -1.702   4.032
  433    HB   VAL  56           HB       VAL  56  -3.882   0.653   5.110
  434   1HG1  VAL  56          1HG1      VAL  56  -1.271   0.838   3.561
  435   2HG1  VAL  56          2HG1      VAL  56  -2.348   2.201   3.927
  436   3HG1  VAL  56          3HG1      VAL  56  -1.515   1.356   5.247
  437   1HG2  VAL  56          1HG2      VAL  56  -4.600  -0.516   3.046
  438   2HG2  VAL  56          2HG2      VAL  56  -4.066   1.140   2.685
  439   3HG2  VAL  56          3HG2      VAL  56  -2.993  -0.234   2.336
  440    H    LYS  57           H        LYS  57  -2.696   0.152   7.145
  441    HA   LYS  57           HA       LYS  57  -0.021   0.372   7.679
  442   1HB   LYS  57          1HB       LYS  57  -0.626   1.263   9.653
  443   2HB   LYS  57          2HB       LYS  57  -2.241   1.232   8.906
  444   1HG   LYS  57          1HG       LYS  57  -2.831  -0.749  10.091
  445   2HG   LYS  57          2HG       LYS  57  -1.167  -0.949  10.692
  446   1HD   LYS  57          1HD       LYS  57  -1.551   1.307  11.895
  447   2HD   LYS  57          2HD       LYS  57  -3.277   1.013  11.577
  448   1HE   LYS  57          1HE       LYS  57  -2.829  -1.388  12.491
  449   2HE   LYS  57          2HE       LYS  57  -1.321  -0.713  13.144
  450   1HZ   LYS  57          1HZ       LYS  57  -2.699   0.986  14.192
  451   2HZ   LYS  57          2HZ       LYS  57  -4.042   0.201  13.681
  452   3HZ   LYS  57          3HZ       LYS  57  -3.018  -0.520  14.731
  453    H    ARG  58           H        ARG  58  -2.140  -2.429   8.359
  454    HA   ARG  58           HA       ARG  58  -0.387  -4.028   9.811
  455   1HB   ARG  58          1HB       ARG  58  -2.925  -4.189   8.465
  456   2HB   ARG  58          2HB       ARG  58  -1.980  -5.651   8.100
  457   1HG   ARG  58          1HG       ARG  58  -2.247  -4.629  10.938
  458   2HG   ARG  58          2HG       ARG  58  -3.495  -5.669  10.208
  459   1HD   ARG  58          1HD       ARG  58  -1.830  -7.403   9.752
  460   2HD   ARG  58          2HD       ARG  58  -0.532  -6.356  10.361
  461    HE   ARG  58           HE       ARG  58  -2.312  -6.453  12.431
  462   1HH1  ARG  58          1HH1      ARG  58  -2.196  -7.888  14.188
  463   2HH1  ARG  58          2HH1      ARG  58  -1.479  -9.466  13.980
  464   1HH2  ARG  58          1HH2      ARG  58  -0.699  -9.022  10.623
  465   2HH2  ARG  58          2HH2      ARG  58  -0.643 -10.101  11.992
  466    H    ALA  59           H        ALA  59  -0.927  -4.035   6.208
  467    HA   ALA  59           HA       ALA  59   1.113  -5.958   5.686
  468   1HB   ALA  59          1HB       ALA  59  -0.118  -3.774   3.967
  469   2HB   ALA  59          2HB       ALA  59   0.818  -5.169   3.376
  470   3HB   ALA  59          3HB       ALA  59  -0.752  -5.423   4.178
  471    H    VAL  60           H        VAL  60   1.089  -2.352   5.680
  472    HA   VAL  60           HA       VAL  60   3.803  -1.966   5.004
  473    HB   VAL  60           HB       VAL  60   1.985  -0.247   6.716
  474   1HG1  VAL  60          1HG1      VAL  60   4.343   0.437   6.903
  475   2HG1  VAL  60          2HG1      VAL  60   4.463   0.504   5.128
  476   3HG1  VAL  60          3HG1      VAL  60   3.407   1.641   5.991
  477   1HG2  VAL  60          1HG2      VAL  60   1.051  -0.757   4.481
  478   2HG2  VAL  60          2HG2      VAL  60   1.531   0.951   4.591
  479   3HG2  VAL  60          3HG2      VAL  60   2.564  -0.208   3.722
  480    H    ASN  61           H        ASN  61   2.220  -2.476   8.221
  481    HA   ASN  61           HA       ASN  61   4.320  -2.002   9.896
  482   1HB   ASN  61          1HB       ASN  61   1.963  -2.548  10.504
  483   2HB   ASN  61          2HB       ASN  61   2.285  -4.250  10.108
  484   2HD2  ASN  61          2HD2      ASN  61   2.497  -5.425  11.866
  485   1HD2  ASN  61          1HD2      ASN  61   3.346  -4.961  13.325
  486    H    LEU  62           H        LEU  62   3.480  -5.232   8.494
  487    HA   LEU  62           HA       LEU  62   5.768  -6.540   9.376
  488   1HB   LEU  62          1HB       LEU  62   4.206  -7.062   6.851
  489   2HB   LEU  62          2HB       LEU  62   5.432  -8.148   7.545
  490    HG   LEU  62           HG       LEU  62   3.674  -9.174   8.418
  491   1HD1  LEU  62          1HD1      LEU  62   4.645  -8.311  10.475
  492   2HD1  LEU  62          2HD1      LEU  62   3.580  -6.887  10.394
  493   3HD1  LEU  62          3HD1      LEU  62   2.891  -8.500  10.652
  494   1HD2  LEU  62          1HD2      LEU  62   2.100  -7.891   7.057
  495   2HD2  LEU  62          2HD2      LEU  62   1.410  -8.230   8.660
  496   3HD2  LEU  62          3HD2      LEU  62   2.052  -6.613   8.295
  497    H    LEU  63           H        LEU  63   5.371  -4.550   6.435
  498    HA   LEU  63           HA       LEU  63   8.028  -4.840   5.460
  499   1HB   LEU  63          1HB       LEU  63   6.651  -4.021   3.886
  500   2HB   LEU  63          2HB       LEU  63   5.720  -3.040   5.043
  501    HG   LEU  63           HG       LEU  63   8.477  -2.150   4.366
  502   1HD1  LEU  63          1HD1      LEU  63   7.576  -2.746   2.162
  503   2HD1  LEU  63          2HD1      LEU  63   6.118  -1.779   2.490
  504   3HD1  LEU  63          3HD1      LEU  63   7.698  -0.981   2.337
  505   1HD2  LEU  63          1HD2      LEU  63   7.108  -0.944   6.015
  506   2HD2  LEU  63          2HD2      LEU  63   7.421   0.072   4.589
  507   3HD2  LEU  63          3HD2      LEU  63   5.835  -0.706   4.793
  508    H    SER  64           H        SER  64   6.569  -2.576   7.819
  509    HA   SER  64           HA       SER  64   8.627  -0.774   8.077
  510   1HB   SER  64          1HB       SER  64   6.360  -0.640   9.159
  511   2HB   SER  64          2HB       SER  64   6.930  -1.810  10.374
  512    HG   SER  64           HG       SER  64   7.164   0.392  11.063
  513    H    LEU  65           H        LEU  65   8.281  -4.007   9.599
  514    HA   LEU  65           HA       LEU  65  10.855  -3.860  10.900
  515   1HB   LEU  65          1HB       LEU  65   9.022  -6.229  10.414
  516   2HB   LEU  65          2HB       LEU  65  10.373  -6.150  11.567
  517    HG   LEU  65           HG       LEU  65   8.192  -4.101  11.715
  518   1HD1  LEU  65          1HD1      LEU  65   6.993  -6.211  11.497
  519   2HD1  LEU  65          2HD1      LEU  65   7.941  -6.905  12.835
  520   3HD1  LEU  65          3HD1      LEU  65   6.824  -5.554  13.141
  521   1HD2  LEU  65          1HD2      LEU  65  10.138  -3.813  13.144
  522   2HD2  LEU  65          2HD2      LEU  65   8.684  -4.119  14.118
  523   3HD2  LEU  65          3HD2      LEU  65   9.868  -5.420  13.862
  524    H    ARG  66           H        ARG  66   9.728  -4.868   7.751
  525    HA   ARG  66           HA       ARG  66  11.957  -6.562   7.040
  526   1HB   ARG  66          1HB       ARG  66   9.538  -6.632   6.187
  527   2HB   ARG  66          2HB       ARG  66   9.964  -5.211   5.204
  528   1HG   ARG  66          1HG       ARG  66  10.340  -6.947   3.700
  529   2HG   ARG  66          2HG       ARG  66  11.964  -6.741   4.400
  530   1HD   ARG  66          1HD       ARG  66  11.308  -8.499   6.132
  531   2HD   ARG  66          2HD       ARG  66   9.861  -8.811   5.151
  532    HE   ARG  66           HE       ARG  66  12.427  -8.905   3.755
  533   1HH1  ARG  66          1HH1      ARG  66  13.080 -10.877   2.854
  534   2HH1  ARG  66          2HH1      ARG  66  12.153 -12.328   3.155
  535   1HH2  ARG  66          1HH2      ARG  66   9.796 -10.775   5.196
  536   2HH2  ARG  66          2HH2      ARG  66  10.314 -12.273   4.467
  537    H    VAL  67           H        VAL  67  10.799  -3.362   5.741
  538    HA   VAL  67           HA       VAL  67  13.505  -2.770   4.721
  539    HB   VAL  67           HB       VAL  67  11.247  -2.690   3.412
  540   1HG1  VAL  67          1HG1      VAL  67   9.992  -1.167   4.848
  541   2HG1  VAL  67          2HG1      VAL  67  11.217   0.097   4.588
  542   3HG1  VAL  67          3HG1      VAL  67  10.214  -0.460   3.237
  543   1HG2  VAL  67          1HG2      VAL  67  13.468  -2.094   2.551
  544   2HG2  VAL  67          2HG2      VAL  67  12.232  -0.977   1.929
  545   3HG2  VAL  67          3HG2      VAL  67  13.308  -0.464   3.248
  546    H    LYS  68           H        LYS  68  12.909  -2.817   7.618
  547    HA   LYS  68           HA       LYS  68  12.585  -0.193   8.645
  548   1HB   LYS  68          1HB       LYS  68  12.614  -2.621   9.782
  549   2HB   LYS  68          2HB       LYS  68  14.307  -2.167  10.089
  550   1HG   LYS  68          1HG       LYS  68  13.730  -0.653  11.665
  551   2HG   LYS  68          2HG       LYS  68  12.390  -0.012  10.685
  552   1HD   LYS  68          1HD       LYS  68  10.890  -1.694  11.441
  553   2HD   LYS  68          2HD       LYS  68  12.212  -2.684  12.107
  554   1HE   LYS  68          1HE       LYS  68  11.522   0.057  13.218
  555   2HE   LYS  68          2HE       LYS  68  10.759  -1.437  13.807
  556   1HZ   LYS  68          1HZ       LYS  68  13.638  -0.957  13.636
  557   2HZ   LYS  68          2HZ       LYS  68  12.768  -0.868  15.019
  558   3HZ   LYS  68          3HZ       LYS  68  12.924  -2.301  14.261
  559    H    LYS  69           H        LYS  69  14.093   1.212   9.510
  560    HA   LYS  69           HA       LYS  69  16.546   1.370   7.953
  561   1HB   LYS  69          1HB       LYS  69  14.866   3.218   9.556
  562   2HB   LYS  69          2HB       LYS  69  16.615   3.551   9.559
  563   1HG   LYS  69          1HG       LYS  69  16.106   2.912   6.903
  564   2HG   LYS  69          2HG       LYS  69  14.646   3.812   7.381
  565   1HD   LYS  69          1HD       LYS  69  16.335   5.334   6.470
  566   2HD   LYS  69          2HD       LYS  69  16.057   5.665   8.195
  567   1HE   LYS  69          1HE       LYS  69  18.266   5.514   8.518
  568   2HE   LYS  69          2HE       LYS  69  18.162   3.787   8.111
  569   1HZ   LYS  69          1HZ       LYS  69  18.452   4.435   5.806
  570   2HZ   LYS  69          2HZ       LYS  69  18.648   5.992   6.271
  571   3HZ   LYS  69          3HZ       LYS  69  19.719   4.853   6.742
  572    H    MET  70           H        MET  70  17.325  -0.624   8.843
  573    HA   MET  70           HA       MET  70  18.519  -0.369  11.530
  574   1HB   MET  70          1HB       MET  70  17.066  -2.338  10.305
  575   2HB   MET  70          2HB       MET  70  18.732  -2.922  10.087
  576   1HG   MET  70          1HG       MET  70  18.085  -1.863  12.773
  577   2HG   MET  70          2HG       MET  70  17.221  -3.340  12.312
  578   1HE   MET  70          1HE       MET  70  18.974  -3.433  14.829
  579   2HE   MET  70          2HE       MET  70  20.721  -3.717  14.640
  580   3HE   MET  70          3HE       MET  70  20.029  -2.125  14.243

  No H/Q in entry =         580
  Start of MODEL    6
    1    H1   ALA   1           H1       ALA   1 -12.817  17.241  -8.947
    2    H2   ALA   1           H2       ALA   1 -11.977  17.816 -10.226
    3    H3   ALA   1           H3       ALA   1 -11.349  16.615  -9.321
    4    HA   ALA   1           HA       ALA   1 -10.252  18.620  -8.782
    5   1HB   ALA   1          1HB       ALA   1 -12.041  20.099  -9.609
    6   2HB   ALA   1          2HB       ALA   1 -13.066  19.645  -8.226
    7   3HB   ALA   1          3HB       ALA   1 -11.558  20.550  -7.958
    8    H    SER   2           H        SER   2  -9.337  17.248  -7.301
    9    HA   SER   2           HA       SER   2 -10.201  17.448  -4.560
   10   1HB   SER   2          1HB       SER   2 -11.666  15.610  -5.627
   11   2HB   SER   2          2HB       SER   2 -10.169  14.653  -5.745
   12    HG   SER   2           HG       SER   2 -11.505  14.396  -3.723
   13    H    ASN   3           H        ASN   3  -8.708  15.080  -3.745
   14    HA   ASN   3           HA       ASN   3  -6.025  16.066  -3.672
   15   1HB   ASN   3          1HB       ASN   3  -5.552  13.945  -2.559
   16   2HB   ASN   3          2HB       ASN   3  -7.062  14.647  -1.939
   17   2HD2  ASN   3          2HD2      ASN   3  -5.614  12.044  -3.778
   18   1HD2  ASN   3          1HD2      ASN   3  -7.056  11.064  -3.963
   19    H    TYR   4           H        TYR   4  -4.244  14.211  -4.201
   20    HA   TYR   4           HA       TYR   4  -4.251  13.944  -7.095
   21   1HB   TYR   4          1HB       TYR   4  -2.295  13.912  -4.882
   22   2HB   TYR   4          2HB       TYR   4  -1.958  12.720  -6.149
   23    HD1  TYR   4           HD1      TYR   4  -2.610  16.388  -5.542
   24    HD2  TYR   4           HD2      TYR   4  -1.246  13.322  -8.291
   25    HE1  TYR   4           HE1      TYR   4  -1.373  18.123  -6.872
   26    HE2  TYR   4           HE2      TYR   4  -0.072  15.064  -9.655
   27    HH   TYR   4           HH       TYR   4   0.392  17.187  -9.879
   28    H    ASP   5           H        ASP   5  -4.137  12.045  -8.277
   29    HA   ASP   5           HA       ASP   5  -4.624   9.512  -6.819
   30   1HB   ASP   5          1HB       ASP   5  -6.164  10.823  -9.001
   31   2HB   ASP   5          2HB       ASP   5  -5.883   9.075  -9.163
   32    HD2  ASP   5           HD2      ASP   5  -8.661   8.640  -7.243
   33    H    CYS   6           H        CYS   6  -2.149   9.805  -7.078
   34    HA   CYS   6           HA       CYS   6  -0.770   9.755  -9.393
   35   1HB   CYS   6          1HB       CYS   6   0.870   8.242  -8.091
   36   2HB   CYS   6          2HB       CYS   6   0.530   9.908  -7.561
   37    H    CYS   7           H        CYS   7  -1.068   6.527  -7.750
   38    HA   CYS   7           HA       CYS   7  -0.860   4.887  -9.979
   39   1HB   CYS   7          1HB       CYS   7  -2.178   4.795  -7.323
   40   2HB   CYS   7          2HB       CYS   7  -2.824   3.668  -8.542
   41    H    LEU   8           H        LEU   8  -2.731   3.672 -11.057
   42    HA   LEU   8           HA       LEU   8  -4.258   5.133 -12.653
   43   1HB   LEU   8          1HB       LEU   8  -5.735   3.204 -12.992
   44   2HB   LEU   8          2HB       LEU   8  -4.006   2.782 -12.972
   45    HG   LEU   8           HG       LEU   8  -5.433   2.559 -10.378
   46   1HD1  LEU   8          1HD1      LEU   8  -7.160   1.761 -11.917
   47   2HD1  LEU   8          2HD1      LEU   8  -6.000   0.629 -12.650
   48   3HD1  LEU   8          3HD1      LEU   8  -6.497   0.419 -10.955
   49   1HD2  LEU   8          1HD2      LEU   8  -3.088   1.917 -10.598
   50   2HD2  LEU   8          2HD2      LEU   8  -4.091   0.515 -10.164
   51   3HD2  LEU   8          3HD2      LEU   8  -3.522   0.715 -11.837
   52    H    SER   9           H        SER   9  -5.159   4.396  -9.376
   53    HA   SER   9           HA       SER   9  -6.775   6.555  -8.877
   54   1HB   SER   9          1HB       SER   9  -8.547   5.737 -10.206
   55   2HB   SER   9          2HB       SER   9  -8.239   4.048  -9.735
   56    HG   SER   9           HG       SER   9 -10.119   4.858  -8.750
   57    H    TYR  10           H        TYR  10  -7.249   6.582  -6.644
   58    HA   TYR  10           HA       TYR  10  -5.879   5.229  -4.657
   59   1HB   TYR  10          1HB       TYR  10  -7.503   7.190  -4.515
   60   2HB   TYR  10          2HB       TYR  10  -8.819   6.006  -4.593
   61    HD1  TYR  10           HD1      TYR  10  -9.109   4.331  -2.671
   62    HD2  TYR  10           HD2      TYR  10  -6.455   7.747  -2.506
   63    HE1  TYR  10           HE1      TYR  10  -8.912   4.041  -0.196
   64    HE2  TYR  10           HE2      TYR  10  -6.321   7.498  -0.016
   65    HH   TYR  10           HH       TYR  10  -6.999   6.308   1.785
   66    H    ILE  11           H        ILE  11  -6.341   3.355  -3.356
   67    HA   ILE  11           HA       ILE  11  -7.320   1.106  -4.595
   68    HB   ILE  11           HB       ILE  11  -5.803   1.130  -2.699
   69   1HG1  ILE  11          1HG1      ILE  11  -6.498  -0.921  -1.711
   70   2HG1  ILE  11          2HG1      ILE  11  -8.206  -0.594  -2.087
   71   1HG2  ILE  11          1HG2      ILE  11  -6.934   2.692  -1.185
   72   2HG2  ILE  11          2HG2      ILE  11  -8.263   1.527  -0.970
   73   3HG2  ILE  11          3HG2      ILE  11  -6.638   1.144  -0.372
   74   1HD1  ILE  11          1HD1      ILE  11  -6.010  -1.135  -4.117
   75   2HD1  ILE  11          2HD1      ILE  11  -7.266  -2.290  -3.625
   76   3HD1  ILE  11          3HD1      ILE  11  -7.720  -0.808  -4.492
   77    H    GLN  12           H        GLN  12  -9.178   1.571  -5.642
   78    HA   GLN  12           HA       GLN  12 -11.570   2.304  -4.606
   79   1HB   GLN  12          1HB       GLN  12 -10.709   0.659  -6.925
   80   2HB   GLN  12          2HB       GLN  12 -12.433   0.594  -6.492
   81   1HG   GLN  12          1HG       GLN  12 -10.884   3.181  -6.892
   82   2HG   GLN  12          2HG       GLN  12 -11.833   2.389  -8.169
   83   2HE2  GLN  12          2HE2      GLN  12 -14.153   2.046  -7.754
   84   1HE2  GLN  12          1HE2      GLN  12 -15.029   3.205  -6.775
   85    H    THR  13           H        THR  13  -9.951  -0.594  -3.926
   86    HA   THR  13           HA       THR  13 -11.986  -1.447  -2.093
   87    HB   THR  13           HB       THR  13 -11.592  -2.868  -4.633
   88    HG1  THR  13           HG1      THR  13 -13.860  -3.284  -3.977
   89   1HG2  THR  13          1HG2      THR  13 -12.051  -4.491  -2.119
   90   2HG2  THR  13          2HG2      THR  13 -12.266  -5.079  -3.777
   91   3HG2  THR  13          3HG2      THR  13 -10.650  -4.619  -3.209
   92    HA   PRO  14           HA       PRO  14  -8.071  -2.107  -0.113
   93   1HB   PRO  14          1HB       PRO  14  -9.157  -2.142   2.452
   94   2HB   PRO  14          2HB       PRO  14  -8.608  -0.691   1.551
   95   1HG   PRO  14          1HG       PRO  14 -11.388  -1.680   1.985
   96   2HG   PRO  14          2HG       PRO  14 -10.793   0.010   1.905
   97   1HD   PRO  14          1HD       PRO  14 -12.072  -1.319  -0.183
   98   2HD   PRO  14          2HD       PRO  14 -10.896   0.006  -0.427
   99    H    LEU  15           H        LEU  15  -7.314  -4.097  -0.473
  100    HA   LEU  15           HA       LEU  15  -8.965  -6.392   0.317
  101   1HB   LEU  15          1HB       LEU  15  -7.298  -7.620  -1.150
  102   2HB   LEU  15          2HB       LEU  15  -8.410  -6.478  -1.941
  103    HG   LEU  15           HG       LEU  15  -5.813  -5.318  -1.136
  104   1HD1  LEU  15          1HD1      LEU  15  -5.185  -7.626  -1.770
  105   2HD1  LEU  15          2HD1      LEU  15  -6.088  -7.450  -3.294
  106   3HD1  LEU  15          3HD1      LEU  15  -4.644  -6.449  -2.995
  107   1HD2  LEU  15          1HD2      LEU  15  -7.381  -5.404  -3.752
  108   2HD2  LEU  15          2HD2      LEU  15  -7.467  -4.109  -2.535
  109   3HD2  LEU  15          3HD2      LEU  15  -5.955  -4.388  -3.430
  110    HA   PRO  16           HA       PRO  16  -6.500  -7.299   3.814
  111   1HB   PRO  16          1HB       PRO  16  -6.474 -10.035   4.010
  112   2HB   PRO  16          2HB       PRO  16  -7.960  -9.056   4.237
  113   1HG   PRO  16          1HG       PRO  16  -7.060 -10.508   1.758
  114   2HG   PRO  16          2HG       PRO  16  -8.676 -10.547   2.536
  115   1HD   PRO  16          1HD       PRO  16  -8.100  -8.947   0.379
  116   2HD   PRO  16          2HD       PRO  16  -9.218  -8.417   1.673
  117    H    SER  17           H        SER  17  -4.367  -8.000   4.595
  118    HA   SER  17           HA       SER  17  -2.362  -7.932   2.608
  119   1HB   SER  17          1HB       SER  17  -0.756  -8.191   4.387
  120   2HB   SER  17          2HB       SER  17  -2.039  -7.079   4.919
  121    HG   SER  17           HG       SER  17  -1.285  -8.895   6.416
  122    H    ARG  18           H        ARG  18  -4.294 -10.499   3.459
  123    HA   ARG  18           HA       ARG  18  -2.404 -12.686   3.174
  124   1HB   ARG  18          1HB       ARG  18  -4.419 -12.647   4.679
  125   2HB   ARG  18          2HB       ARG  18  -5.440 -12.653   3.221
  126   1HG   ARG  18          1HG       ARG  18  -4.646 -14.803   2.567
  127   2HG   ARG  18          2HG       ARG  18  -3.349 -14.769   3.786
  128   1HD   ARG  18          1HD       ARG  18  -6.179 -14.554   4.747
  129   2HD   ARG  18          2HD       ARG  18  -5.613 -16.135   4.168
  130    HE   ARG  18           HE       ARG  18  -4.785 -14.719   6.565
  131   1HH1  ARG  18          1HH1      ARG  18  -3.427 -15.787   8.036
  132   2HH1  ARG  18          2HH1      ARG  18  -2.522 -17.194   7.534
  133   1HH2  ARG  18          1HH2      ARG  18  -3.748 -17.213   4.271
  134   2HH2  ARG  18          2HH2      ARG  18  -2.700 -17.994   5.427
  135    H    ALA  19           H        ALA  19  -3.487 -10.481   1.010
  136    HA   ALA  19           HA       ALA  19  -3.435 -12.435  -1.222
  137   1HB   ALA  19          1HB       ALA  19  -4.857 -10.843  -2.458
  138   2HB   ALA  19          2HB       ALA  19  -4.909  -9.777  -1.032
  139   3HB   ALA  19          3HB       ALA  19  -5.653 -11.394  -0.962
  140    H    ILE  20           H        ILE  20  -1.416 -10.352   0.387
  141    HA   ILE  20           HA       ILE  20  -0.583  -8.770  -1.953
  142    HB   ILE  20           HB       ILE  20  -0.375  -8.523   1.043
  143   1HG1  ILE  20          1HG1      ILE  20  -1.155  -6.251   0.586
  144   2HG1  ILE  20          2HG1      ILE  20  -1.138  -6.601  -1.159
  145   1HG2  ILE  20          1HG2      ILE  20   1.910  -8.094   0.193
  146   2HG2  ILE  20          2HG2      ILE  20   1.253  -6.918  -0.972
  147   3HG2  ILE  20          3HG2      ILE  20   1.161  -6.590   0.770
  148   1HD1  ILE  20          1HD1      ILE  20  -3.027  -7.789   0.875
  149   2HD1  ILE  20          2HD1      ILE  20  -3.446  -6.525  -0.288
  150   3HD1  ILE  20          3HD1      ILE  20  -3.012  -8.137  -0.870
  151    H    VAL  21           H        VAL  21   0.828  -9.748  -3.181
  152    HA   VAL  21           HA       VAL  21   2.712 -11.603  -2.006
  153    HB   VAL  21           HB       VAL  21   1.428 -11.632  -4.347
  154   1HG1  VAL  21          1HG1      VAL  21   2.749  -9.928  -5.506
  155   2HG1  VAL  21          2HG1      VAL  21   4.238 -10.835  -5.150
  156   3HG1  VAL  21          3HG1      VAL  21   3.017 -11.520  -6.236
  157   1HG2  VAL  21          1HG2      VAL  21   2.544 -13.442  -3.107
  158   2HG2  VAL  21          2HG2      VAL  21   2.942 -13.522  -4.840
  159   3HG2  VAL  21          3HG2      VAL  21   4.127 -12.866  -3.685
  160    H    GLY  22           H        GLY  22   2.891  -8.400  -3.543
  161   1HA   GLY  22          1HA       GLY  22   5.469  -7.904  -3.978
  162   2HA   GLY  22          2HA       GLY  22   5.423  -7.841  -2.202
  163    H    PHE  23           H        PHE  23   5.355  -5.783  -1.583
  164    HA   PHE  23           HA       PHE  23   3.847  -3.834  -3.174
  165   1HB   PHE  23          1HB       PHE  23   2.896  -2.914  -1.124
  166   2HB   PHE  23          2HB       PHE  23   2.370  -4.581  -1.410
  167    HD1  PHE  23           HD1      PHE  23   3.934  -6.438  -0.199
  168    HD2  PHE  23           HD2      PHE  23   3.489  -2.292   0.981
  169    HE1  PHE  23           HE1      PHE  23   4.753  -7.023   2.092
  170    HE2  PHE  23           HE2      PHE  23   4.174  -2.912   3.308
  171    HZ   PHE  23           HZ       PHE  23   4.811  -5.248   3.831
  172    H    THR  24           H        THR  24   4.363  -1.721  -2.880
  173    HA   THR  24           HA       THR  24   6.993  -1.213  -1.594
  174    HB   THR  24           HB       THR  24   6.095   0.247  -4.062
  175    HG1  THR  24           HG1      THR  24   7.224  -1.582  -5.271
  176   1HG2  THR  24          1HG2      THR  24   8.215   0.843  -2.933
  177   2HG2  THR  24          2HG2      THR  24   8.786  -0.833  -3.118
  178   3HG2  THR  24          3HG2      THR  24   8.527   0.183  -4.554
  179    H    ARG  25           H        ARG  25   7.354   1.293  -1.565
  180    HA   ARG  25           HA       ARG  25   5.006   2.469  -0.204
  181   1HB   ARG  25          1HB       ARG  25   7.988   2.751   0.185
  182   2HB   ARG  25          2HB       ARG  25   6.876   4.031   0.727
  183   1HG   ARG  25          1HG       ARG  25   6.644   1.113   1.549
  184   2HG   ARG  25          2HG       ARG  25   7.480   2.356   2.508
  185   1HD   ARG  25          1HD       ARG  25   4.796   3.219   1.693
  186   2HD   ARG  25          2HD       ARG  25   4.751   1.712   2.633
  187    HE   ARG  25           HE       ARG  25   6.477   3.292   4.040
  188   1HH1  ARG  25          1HH1      ARG  25   5.885   4.556   5.837
  189   2HH1  ARG  25          2HH1      ARG  25   4.276   5.228   5.939
  190   1HH2  ARG  25          1HH2      ARG  25   3.172   3.875   2.936
  191   2HH2  ARG  25          2HH2      ARG  25   2.763   4.850   4.324
  192    H    GLN  26           H        GLN  26   4.122   4.327  -0.891
  193    HA   GLN  26           HA       GLN  26   5.548   5.828  -3.021
  194   1HB   GLN  26          1HB       GLN  26   3.321   4.418  -3.470
  195   2HB   GLN  26          2HB       GLN  26   2.568   5.873  -2.776
  196   1HG   GLN  26          1HG       GLN  26   3.587   7.274  -4.482
  197   2HG   GLN  26          2HG       GLN  26   4.514   5.898  -5.116
  198   2HE2  GLN  26          2HE2      GLN  26   1.141   6.547  -4.131
  199   1HE2  GLN  26          1HE2      GLN  26   0.385   5.846  -5.545
  200    H    MET  27           H        MET  27   6.414   7.315  -1.798
  201    HA   MET  27           HA       MET  27   5.181   8.789   0.325
  202   1HB   MET  27          1HB       MET  27   7.559   9.387  -1.470
  203   2HB   MET  27          2HB       MET  27   7.170  10.221   0.054
  204   1HG   MET  27          1HG       MET  27   7.812   8.429   1.365
  205   2HG   MET  27          2HG       MET  27   7.451   7.235   0.105
  206   1HE   MET  27          1HE       MET  27   8.962   7.676  -2.374
  207   2HE   MET  27          2HE       MET  27  10.594   7.048  -2.042
  208   3HE   MET  27          3HE       MET  27   9.166   6.198  -1.403
  209    H    ALA  28           H        ALA  28   4.790  11.092   0.289
  210    HA   ALA  28           HA       ALA  28   3.319  11.977  -2.108
  211   1HB   ALA  28          1HB       ALA  28   3.460  12.991   0.775
  212   2HB   ALA  28          2HB       ALA  28   2.188  11.942   0.106
  213   3HB   ALA  28          3HB       ALA  28   2.375  13.609  -0.495
  214    H    ASP  29           H        ASP  29   4.823  12.761  -3.512
  215    HA   ASP  29           HA       ASP  29   5.928  15.247  -3.277
  216   1HB   ASP  29          1HB       ASP  29   7.662  13.324  -1.976
  217   2HB   ASP  29          2HB       ASP  29   8.469  14.050  -3.384
  218    HD2  ASP  29           HD2      ASP  29   9.323  16.361  -0.956
  219    H    GLU  30           H        GLU  30   7.123  12.084  -4.469
  220    HA   GLU  30           HA       GLU  30   8.166  12.989  -6.919
  221   1HB   GLU  30          1HB       GLU  30   8.349  10.769  -5.432
  222   2HB   GLU  30          2HB       GLU  30   7.136  10.194  -6.601
  223   1HG   GLU  30          1HG       GLU  30   8.728   9.896  -8.146
  224   2HG   GLU  30          2HG       GLU  30   9.182  11.609  -8.033
  225    H    ALA  31           H        ALA  31   6.762  10.857  -8.644
  226    HA   ALA  31           HA       ALA  31   4.864  12.311 -10.016
  227   1HB   ALA  31          1HB       ALA  31   4.176  10.128 -10.943
  228   2HB   ALA  31          2HB       ALA  31   5.947  10.249 -10.818
  229   3HB   ALA  31          3HB       ALA  31   5.033   9.296  -9.623
  230    H    CYS  32           H        CYS  32   4.515  10.814  -6.915
  231    HA   CYS  32           HA       CYS  32   1.586  11.117  -6.958
  232   1HB   CYS  32          1HB       CYS  32   2.612   8.843  -6.259
  233   2HB   CYS  32          2HB       CYS  32   3.198   9.701  -4.812
  234    H    ASP  33           H        ASP  33   0.701  12.594  -5.633
  235    HA   ASP  33           HA       ASP  33   2.517  14.204  -3.936
  236   1HB   ASP  33          1HB       ASP  33   1.256  15.263  -5.806
  237   2HB   ASP  33          2HB       ASP  33  -0.258  14.788  -5.007
  238    HD2  ASP  33           HD2      ASP  33   1.812  17.781  -3.418
  239    H    ILE  34           H        ILE  34   0.453  11.615  -3.600
  240    HA   ILE  34           HA       ILE  34  -0.179  12.339  -0.840
  241    HB   ILE  34           HB       ILE  34  -2.144  10.870  -0.911
  242   1HG1  ILE  34          1HG1      ILE  34  -2.092  10.957  -3.913
  243   2HG1  ILE  34          2HG1      ILE  34  -1.351   9.623  -2.999
  244   1HG2  ILE  34          1HG2      ILE  34  -2.340  13.297  -1.055
  245   2HG2  ILE  34          2HG2      ILE  34  -2.230  13.214  -2.830
  246   3HG2  ILE  34          3HG2      ILE  34  -3.627  12.498  -1.990
  247   1HD1  ILE  34          1HD1      ILE  34  -4.262  10.498  -2.825
  248   2HD1  ILE  34          2HD1      ILE  34  -3.667   9.058  -3.680
  249   3HD1  ILE  34          3HD1      ILE  34  -3.522   9.161  -1.911
  250    H    ASN  35           H        ASN  35  -0.485  10.212   0.436
  251    HA   ASN  35           HA       ASN  35   1.818   8.493  -0.171
  252   1HB   ASN  35          1HB       ASN  35   1.546   7.912   2.250
  253   2HB   ASN  35          2HB       ASN  35   1.956   9.612   1.935
  254   2HD2  ASN  35          2HD2      ASN  35   1.022   9.038   4.375
  255   1HD2  ASN  35          1HD2      ASN  35  -0.623   9.601   4.587
  256    H    ALA  36           H        ALA  36   1.547   6.408  -0.671
  257    HA   ALA  36           HA       ALA  36  -0.868   4.989  -0.052
  258   1HB   ALA  36          1HB       ALA  36  -1.501   4.402  -2.376
  259   2HB   ALA  36          2HB       ALA  36  -0.257   5.512  -2.992
  260   3HB   ALA  36          3HB       ALA  36  -1.649   6.149  -2.084
  261    H    ILE  37           H        ILE  37  -0.686   2.741  -0.256
  262    HA   ILE  37           HA       ILE  37   2.098   1.861  -0.538
  263    HB   ILE  37           HB       ILE  37  -0.250   0.156   0.246
  264   1HG1  ILE  37          1HG1      ILE  37  -0.569   1.916   1.716
  265   2HG1  ILE  37          2HG1      ILE  37   0.291   0.653   2.629
  266   1HG2  ILE  37          1HG2      ILE  37   1.837  -0.988  -0.241
  267   2HG2  ILE  37          2HG2      ILE  37   2.683   0.006   0.968
  268   3HG2  ILE  37          3HG2      ILE  37   1.424  -1.139   1.482
  269   1HD1  ILE  37          1HD1      ILE  37   1.522   3.194   1.512
  270   2HD1  ILE  37          2HD1      ILE  37   1.128   2.908   3.218
  271   3HD1  ILE  37          3HD1      ILE  37   2.380   1.932   2.427
  272    H    ILE  38           H        ILE  38   2.796   1.077  -2.345
  273    HA   ILE  38           HA       ILE  38   0.992   0.481  -4.569
  274    HB   ILE  38           HB       ILE  38   4.026   0.386  -4.496
  275   1HG1  ILE  38          1HG1      ILE  38   2.354   2.679  -5.558
  276   2HG1  ILE  38          2HG1      ILE  38   2.982   2.662  -3.892
  277   1HG2  ILE  38          1HG2      ILE  38   2.918  -0.785  -6.384
  278   2HG2  ILE  38          2HG2      ILE  38   2.001   0.695  -6.759
  279   3HG2  ILE  38          3HG2      ILE  38   3.771   0.670  -6.950
  280   1HD1  ILE  38          1HD1      ILE  38   4.654   2.496  -6.427
  281   2HD1  ILE  38          2HD1      ILE  38   4.478   3.933  -5.396
  282   3HD1  ILE  38          3HD1      ILE  38   5.281   2.481  -4.761
  283    H    PHE  39           H        PHE  39   0.013  -1.328  -3.542
  284    HA   PHE  39           HA       PHE  39   1.428  -3.780  -2.922
  285   1HB   PHE  39          1HB       PHE  39  -1.493  -3.083  -3.357
  286   2HB   PHE  39          2HB       PHE  39  -0.927  -4.714  -2.960
  287    HD1  PHE  39           HD1      PHE  39   0.661  -4.892  -0.920
  288    HD2  PHE  39           HD2      PHE  39  -2.067  -1.611  -1.531
  289    HE1  PHE  39           HE1      PHE  39   0.556  -4.562   1.532
  290    HE2  PHE  39           HE2      PHE  39  -2.166  -1.269   0.944
  291    HZ   PHE  39           HZ       PHE  39  -0.912  -2.779   2.467
  292    H    HIS  40           H        HIS  40   1.277  -5.755  -4.120
  293    HA   HIS  40           HA       HIS  40   0.357  -5.727  -6.931
  294   1HB   HIS  40          1HB       HIS  40   3.134  -6.666  -6.116
  295   2HB   HIS  40          2HB       HIS  40   2.476  -6.489  -7.753
  296    HD1  HIS  40           HD1      HIS  40   1.973  -3.775  -8.327
  297    HD2  HIS  40           HD2      HIS  40   4.504  -4.673  -5.222
  298    HE1  HIS  40           HE1      HIS  40   3.570  -1.797  -8.140
  299    HE2  HIS  40           HE2      HIS  40   4.733  -2.231  -5.904
  300    H    THR  41           H        THR  41  -1.189  -7.029  -5.784
  301    HA   THR  41           HA       THR  41  -0.548  -9.430  -4.379
  302    HB   THR  41           HB       THR  41  -2.947  -9.841  -4.617
  303    HG1  THR  41           HG1      THR  41  -4.068  -8.058  -5.969
  304   1HG2  THR  41          1HG2      THR  41  -2.322  -6.900  -4.168
  305   2HG2  THR  41          2HG2      THR  41  -3.795  -7.747  -3.637
  306   3HG2  THR  41          3HG2      THR  41  -2.216  -8.192  -2.949
  307    H    LYS  42           H        LYS  42  -1.767 -11.527  -5.327
  308    HA   LYS  42           HA       LYS  42  -0.246 -12.187  -7.713
  309   1HB   LYS  42          1HB       LYS  42  -1.878 -13.796  -5.750
  310   2HB   LYS  42          2HB       LYS  42  -1.298 -14.500  -7.278
  311   1HG   LYS  42          1HG       LYS  42   1.004 -13.839  -6.741
  312   2HG   LYS  42          2HG       LYS  42   0.449 -13.048  -5.246
  313   1HD   LYS  42          1HD       LYS  42  -0.027 -15.986  -5.732
  314   2HD   LYS  42          2HD       LYS  42   1.523 -15.394  -5.087
  315   1HE   LYS  42          1HE       LYS  42   0.642 -15.020  -3.028
  316   2HE   LYS  42          2HE       LYS  42  -0.838 -14.295  -3.692
  317   1HZ   LYS  42          1HZ       LYS  42  -0.204 -17.151  -3.751
  318   2HZ   LYS  42          2HZ       LYS  42  -1.216 -16.457  -2.667
  319   3HZ   LYS  42          3HZ       LYS  42  -1.603 -16.444  -4.251
  320    H    LYS  43           H        LYS  43  -3.529 -11.342  -6.920
  321    HA   LYS  43           HA       LYS  43  -4.369 -11.925  -9.682
  322   1HB   LYS  43          1HB       LYS  43  -5.113 -13.527  -7.682
  323   2HB   LYS  43          2HB       LYS  43  -6.346 -12.262  -7.466
  324   1HG   LYS  43          1HG       LYS  43  -7.344 -12.690  -9.500
  325   2HG   LYS  43          2HG       LYS  43  -5.817 -13.191 -10.263
  326   1HD   LYS  43          1HD       LYS  43  -5.912 -15.275  -8.827
  327   2HD   LYS  43          2HD       LYS  43  -7.560 -14.787  -8.365
  328   1HE   LYS  43          1HE       LYS  43  -7.719 -16.375 -10.183
  329   2HE   LYS  43          2HE       LYS  43  -8.171 -14.771 -10.804
  330   1HZ   LYS  43          1HZ       LYS  43  -5.923 -14.580 -11.662
  331   2HZ   LYS  43          2HZ       LYS  43  -5.576 -16.088 -11.122
  332   3HZ   LYS  43          3HZ       LYS  43  -6.698 -15.873 -12.278
  333    H    ARG  44           H        ARG  44  -3.362  -9.472  -8.737
  334    HA   ARG  44           HA       ARG  44  -5.333  -7.699  -9.786
  335   1HB   ARG  44          1HB       ARG  44  -5.114  -7.902  -6.880
  336   2HB   ARG  44          2HB       ARG  44  -4.585  -6.305  -7.465
  337   1HG   ARG  44          1HG       ARG  44  -6.745  -5.933  -8.519
  338   2HG   ARG  44          2HG       ARG  44  -7.279  -7.571  -8.071
  339   1HD   ARG  44          1HD       ARG  44  -6.446  -6.693  -5.632
  340   2HD   ARG  44          2HD       ARG  44  -6.923  -5.138  -6.349
  341    HE   ARG  44           HE       ARG  44  -8.639  -7.378  -5.645
  342   1HH1  ARG  44          1HH1      ARG  44 -10.878  -7.198  -5.904
  343   2HH1  ARG  44          2HH1      ARG  44 -11.548  -5.889  -6.847
  344   1HH2  ARG  44          1HH2      ARG  44  -8.471  -4.456  -7.635
  345   2HH2  ARG  44          2HH2      ARG  44 -10.202  -4.350  -7.819
  346    H    LYS  45           H        LYS  45  -4.223  -6.183 -10.804
  347    HA   LYS  45           HA       LYS  45  -1.424  -6.002 -10.908
  348   1HB   LYS  45          1HB       LYS  45  -1.762  -3.972 -12.173
  349   2HB   LYS  45          2HB       LYS  45  -2.905  -5.236 -12.687
  350   1HG   LYS  45          1HG       LYS  45  -3.912  -3.322 -10.642
  351   2HG   LYS  45          2HG       LYS  45  -3.599  -2.649 -12.260
  352   1HD   LYS  45          1HD       LYS  45  -5.174  -4.050 -13.288
  353   2HD   LYS  45          2HD       LYS  45  -5.166  -5.211 -11.939
  354   1HE   LYS  45          1HE       LYS  45  -7.190  -4.158 -11.622
  355   2HE   LYS  45          2HE       LYS  45  -6.125  -3.205 -10.566
  356   1HZ   LYS  45          1HZ       LYS  45  -5.996  -1.572 -12.304
  357   2HZ   LYS  45          2HZ       LYS  45  -7.005  -2.464 -13.250
  358   3HZ   LYS  45          3HZ       LYS  45  -7.529  -1.833 -11.840
  359    H    SER  46           H        SER  46  -0.449  -3.552 -10.615
  360    HA   SER  46           HA       SER  46   0.160  -3.071  -8.002
  361   1HB   SER  46          1HB       SER  46  -0.223  -0.703  -9.800
  362   2HB   SER  46          2HB       SER  46   1.172  -1.149  -8.789
  363    HG   SER  46           HG       SER  46   1.621  -1.371 -11.039
  364    H    VAL  47           H        VAL  47  -0.965  -2.463  -6.319
  365    HA   VAL  47           HA       VAL  47  -3.520  -0.948  -6.647
  366    HB   VAL  47           HB       VAL  47  -2.560  -3.222  -4.993
  367   1HG1  VAL  47          1HG1      VAL  47  -2.975  -1.656  -3.184
  368   2HG1  VAL  47          2HG1      VAL  47  -4.611  -1.342  -3.812
  369   3HG1  VAL  47          3HG1      VAL  47  -4.194  -2.945  -3.180
  370   1HG2  VAL  47          1HG2      VAL  47  -4.069  -3.530  -6.872
  371   2HG2  VAL  47          2HG2      VAL  47  -4.848  -4.022  -5.352
  372   3HG2  VAL  47          3HG2      VAL  47  -5.270  -2.466  -6.102
  373    H    CYS  48           H        CYS  48  -3.657   1.050  -5.646
  374    HA   CYS  48           HA       CYS  48  -1.356   1.767  -3.926
  375   1HB   CYS  48          1HB       CYS  48  -2.698   3.342  -6.054
  376   2HB   CYS  48          2HB       CYS  48  -2.169   4.196  -4.583
  377    H    ALA  49           H        ALA  49  -1.997   1.659  -1.919
  378    HA   ALA  49           HA       ALA  49  -4.647   2.809  -1.265
  379   1HB   ALA  49          1HB       ALA  49  -4.308   0.365  -1.106
  380   2HB   ALA  49          2HB       ALA  49  -4.568   1.089   0.503
  381   3HB   ALA  49          3HB       ALA  49  -2.925   0.624  -0.016
  382    H    ASP  50           H        ASP  50  -4.845   4.502   0.162
  383    HA   ASP  50           HA       ASP  50  -2.520   5.836   1.063
  384   1HB   ASP  50          1HB       ASP  50  -5.311   6.285   1.034
  385   2HB   ASP  50          2HB       ASP  50  -4.797   6.417   2.729
  386    HD2  ASP  50           HD2      ASP  50  -3.220   9.379   2.203
  387    HA   PRO  51           HA       PRO  51  -1.605   3.480   4.719
  388   1HB   PRO  51          1HB       PRO  51   0.419   4.990   5.749
  389   2HB   PRO  51          2HB       PRO  51   0.569   3.933   4.306
  390   1HG   PRO  51          1HG       PRO  51   0.120   6.896   4.409
  391   2HG   PRO  51          2HG       PRO  51   1.231   5.973   3.346
  392   1HD   PRO  51          1HD       PRO  51  -1.261   6.886   2.565
  393   2HD   PRO  51          2HD       PRO  51  -0.513   5.403   1.898
  394    H    LYS  52           H        LYS  52  -3.893   4.571   4.939
  395    HA   LYS  52           HA       LYS  52  -3.982   6.059   7.505
  396   1HB   LYS  52          1HB       LYS  52  -6.069   5.933   5.310
  397   2HB   LYS  52          2HB       LYS  52  -6.088   6.968   6.759
  398   1HG   LYS  52          1HG       LYS  52  -4.165   7.165   4.414
  399   2HG   LYS  52          2HG       LYS  52  -5.503   8.277   4.789
  400   1HD   LYS  52          1HD       LYS  52  -3.901   8.142   7.127
  401   2HD   LYS  52          2HD       LYS  52  -2.778   8.309   5.755
  402   1HE   LYS  52          1HE       LYS  52  -3.850  10.320   5.003
  403   2HE   LYS  52          2HE       LYS  52  -5.243  10.064   6.076
  404   1HZ   LYS  52          1HZ       LYS  52  -3.722  10.278   7.930
  405   2HZ   LYS  52          2HZ       LYS  52  -2.493  10.610   6.905
  406   3HZ   LYS  52          3HZ       LYS  52  -3.760  11.623   7.010
  407    H    GLN  53           H        GLN  53  -5.339   3.439   5.537
  408    HA   GLN  53           HA       GLN  53  -7.261   2.458   7.420
  409   1HB   GLN  53          1HB       GLN  53  -5.874   1.089   5.086
  410   2HB   GLN  53          2HB       GLN  53  -7.457   0.684   5.792
  411   1HG   GLN  53          1HG       GLN  53  -7.502   3.425   4.953
  412   2HG   GLN  53          2HG       GLN  53  -6.867   2.436   3.621
  413   2HE2  GLN  53          2HE2      GLN  53  -8.692   2.926   2.395
  414   1HE2  GLN  53          1HE2      GLN  53 -10.218   2.112   2.667
  415    H    ASN  54           H        ASN  54  -7.114   0.205   8.266
  416    HA   ASN  54           HA       ASN  54  -4.653  -0.202   9.703
  417   1HB   ASN  54          1HB       ASN  54  -7.399  -0.998   9.947
  418   2HB   ASN  54          2HB       ASN  54  -6.365  -2.441  10.023
  419   2HD2  ASN  54          2HD2      ASN  54  -7.783  -1.790  12.205
  420   1HD2  ASN  54          1HD2      ASN  54  -6.734  -1.187  13.469
  421    H    TRP  55           H        TRP  55  -6.473  -2.243   7.311
  422    HA   TRP  55           HA       TRP  55  -4.770  -4.367   7.098
  423   1HB   TRP  55          1HB       TRP  55  -5.731  -4.750   4.929
  424   2HB   TRP  55          2HB       TRP  55  -6.981  -4.063   5.976
  425    HD1  TRP  55           HD1      TRP  55  -7.810  -1.579   5.407
  426    HE1  TRP  55           HE1      TRP  55  -7.560  -0.049   3.409
  427    HE3  TRP  55           HE3      TRP  55  -4.365  -4.292   2.896
  428    HZ2  TRP  55           HZ2      TRP  55  -6.338  -0.194   0.845
  429    HZ3  TRP  55           HZ3      TRP  55  -4.031  -3.808   0.476
  430    HH2  TRP  55           HH2      TRP  55  -5.038  -1.796  -0.553
  431    H    VAL  56           H        VAL  56  -4.520  -1.308   5.254
  432    HA   VAL  56           HA       VAL  56  -2.142  -1.763   3.881
  433    HB   VAL  56           HB       VAL  56  -3.895   0.464   4.643
  434   1HG1  VAL  56          1HG1      VAL  56  -1.046   1.076   3.793
  435   2HG1  VAL  56          2HG1      VAL  56  -2.373   2.252   3.855
  436   3HG1  VAL  56          3HG1      VAL  56  -1.777   1.517   5.355
  437   1HG2  VAL  56          1HG2      VAL  56  -3.856  -0.756   2.484
  438   2HG2  VAL  56          2HG2      VAL  56  -3.491   0.969   2.250
  439   3HG2  VAL  56          3HG2      VAL  56  -2.176  -0.228   2.229
  440    H    LYS  57           H        LYS  57  -2.534   0.157   6.902
  441    HA   LYS  57           HA       LYS  57   0.093   0.501   7.551
  442   1HB   LYS  57          1HB       LYS  57  -2.514   0.818   8.668
  443   2HB   LYS  57          2HB       LYS  57  -1.486   0.068   9.912
  444   1HG   LYS  57          1HG       LYS  57  -0.593   2.501   8.346
  445   2HG   LYS  57          2HG       LYS  57  -1.582   2.642   9.818
  446   1HD   LYS  57          1HD       LYS  57   1.164   1.341   9.629
  447   2HD   LYS  57          2HD       LYS  57   0.811   2.945  10.314
  448   1HE   LYS  57          1HE       LYS  57  -0.930   1.163  11.648
  449   2HE   LYS  57          2HE       LYS  57   0.632   0.322  11.568
  450   1HZ   LYS  57          1HZ       LYS  57   0.210   3.047  12.550
  451   2HZ   LYS  57          2HZ       LYS  57   0.439   1.729  13.475
  452   3HZ   LYS  57          3HZ       LYS  57   1.646   2.246  12.508
  453    H    ARG  58           H        ARG  58  -1.894  -2.418   8.128
  454    HA   ARG  58           HA       ARG  58  -0.042  -3.884   9.659
  455   1HB   ARG  58          1HB       ARG  58  -2.617  -4.194   8.594
  456   2HB   ARG  58          2HB       ARG  58  -1.658  -5.485   7.832
  457   1HG   ARG  58          1HG       ARG  58  -0.800  -6.053  10.156
  458   2HG   ARG  58          2HG       ARG  58  -2.039  -4.944  10.791
  459   1HD   ARG  58          1HD       ARG  58  -2.584  -7.354   9.016
  460   2HD   ARG  58          2HD       ARG  58  -2.783  -7.319  10.781
  461    HE   ARG  58           HE       ARG  58  -4.311  -5.224   9.958
  462   1HH1  ARG  58          1HH1      ARG  58  -6.546  -5.345   9.497
  463   2HH1  ARG  58          2HH1      ARG  58  -7.237  -6.828   8.888
  464   1HH2  ARG  58          1HH2      ARG  58  -4.241  -8.607   8.932
  465   2HH2  ARG  58          2HH2      ARG  58  -5.948  -8.656   8.571
  466    H    ALA  59           H        ALA  59  -0.697  -4.105   6.040
  467    HA   ALA  59           HA       ALA  59   1.454  -5.870   5.540
  468   1HB   ALA  59          1HB       ALA  59   0.147  -3.783   3.779
  469   2HB   ALA  59          2HB       ALA  59   1.150  -5.146   3.223
  470   3HB   ALA  59          3HB       ALA  59  -0.411  -5.455   4.022
  471    H    VAL  60           H        VAL  60   1.301  -2.266   5.540
  472    HA   VAL  60           HA       VAL  60   4.071  -1.901   5.024
  473    HB   VAL  60           HB       VAL  60   1.841  -0.166   5.976
  474   1HG1  VAL  60          1HG1      VAL  60   4.715   0.809   5.777
  475   2HG1  VAL  60          2HG1      VAL  60   3.288   1.849   5.948
  476   3HG1  VAL  60          3HG1      VAL  60   3.737   0.747   7.262
  477   1HG2  VAL  60          1HG2      VAL  60   2.175  -0.809   3.605
  478   2HG2  VAL  60          2HG2      VAL  60   2.437   0.936   3.834
  479   3HG2  VAL  60          3HG2      VAL  60   3.832  -0.159   3.662
  480    H    ASN  61           H        ASN  61   2.375  -2.671   8.028
  481    HA   ASN  61           HA       ASN  61   4.314  -1.857   9.866
  482   1HB   ASN  61          1HB       ASN  61   1.919  -2.733  10.181
  483   2HB   ASN  61          2HB       ASN  61   2.626  -4.360  10.082
  484   2HD2  ASN  61          2HD2      ASN  61   1.180  -3.030  12.248
  485   1HD2  ASN  61          1HD2      ASN  61   2.238  -3.111  13.636
  486    H    LEU  62           H        LEU  62   3.826  -5.160   8.442
  487    HA   LEU  62           HA       LEU  62   6.232  -6.233   9.412
  488   1HB   LEU  62          1HB       LEU  62   4.400  -6.976   7.168
  489   2HB   LEU  62          2HB       LEU  62   5.985  -7.778   7.311
  490    HG   LEU  62           HG       LEU  62   5.225  -7.963   9.881
  491   1HD1  LEU  62          1HD1      LEU  62   3.071  -6.796   9.565
  492   2HD1  LEU  62          2HD1      LEU  62   2.588  -8.011   8.357
  493   3HD1  LEU  62          3HD1      LEU  62   2.811  -8.486  10.057
  494   1HD2  LEU  62          1HD2      LEU  62   5.861  -9.821   8.372
  495   2HD2  LEU  62          2HD2      LEU  62   4.437 -10.253   9.348
  496   3HD2  LEU  62          3HD2      LEU  62   4.238  -9.789   7.642
  497    H    LEU  63           H        LEU  63   5.603  -4.502   6.333
  498    HA   LEU  63           HA       LEU  63   8.237  -4.589   5.335
  499   1HB   LEU  63          1HB       LEU  63   6.718  -3.991   3.766
  500   2HB   LEU  63          2HB       LEU  63   5.791  -2.966   4.886
  501    HG   LEU  63           HG       LEU  63   8.466  -1.990   4.066
  502   1HD1  LEU  63          1HD1      LEU  63   7.597  -2.848   1.935
  503   2HD1  LEU  63          2HD1      LEU  63   6.080  -1.949   2.184
  504   3HD1  LEU  63          3HD1      LEU  63   7.608  -1.070   1.942
  505   1HD2  LEU  63          1HD2      LEU  63   7.024  -0.720   5.604
  506   2HD2  LEU  63          2HD2      LEU  63   7.268   0.172   4.086
  507   3HD2  LEU  63          3HD2      LEU  63   5.736  -0.682   4.375
  508    H    SER  64           H        SER  64   6.734  -2.437   7.747
  509    HA   SER  64           HA       SER  64   8.616  -0.384   7.750
  510   1HB   SER  64          1HB       SER  64   6.258  -0.662   8.882
  511   2HB   SER  64          2HB       SER  64   7.204  -1.275  10.259
  512    HG   SER  64           HG       SER  64   6.808   1.014  10.353
  513    H    LEU  65           H        LEU  65   8.445  -3.417   9.713
  514    HA   LEU  65           HA       LEU  65  10.966  -2.977  11.018
  515   1HB   LEU  65          1HB       LEU  65   9.284  -5.456  10.563
  516   2HB   LEU  65          2HB       LEU  65  10.760  -5.417  11.556
  517    HG   LEU  65           HG       LEU  65   8.970  -3.205  12.205
  518   1HD1  LEU  65          1HD1      LEU  65   7.217  -4.745  11.468
  519   2HD1  LEU  65          2HD1      LEU  65   7.850  -6.002  12.558
  520   3HD1  LEU  65          3HD1      LEU  65   7.155  -4.508  13.229
  521   1HD2  LEU  65          1HD2      LEU  65  10.829  -3.937  13.619
  522   2HD2  LEU  65          2HD2      LEU  65   9.288  -4.025  14.502
  523   3HD2  LEU  65          3HD2      LEU  65  10.034  -5.510  13.867
  524    H    ARG  66           H        ARG  66  10.048  -4.288   7.877
  525    HA   ARG  66           HA       ARG  66  12.602  -5.499   7.335
  526   1HB   ARG  66          1HB       ARG  66  10.000  -5.445   6.121
  527   2HB   ARG  66          2HB       ARG  66  11.237  -5.055   4.901
  528   1HG   ARG  66          1HG       ARG  66  11.175  -7.493   6.721
  529   2HG   ARG  66          2HG       ARG  66  10.882  -7.467   4.966
  530   1HD   ARG  66          1HD       ARG  66  13.442  -6.242   5.684
  531   2HD   ARG  66          2HD       ARG  66  13.321  -7.925   6.244
  532    HE   ARG  66           HE       ARG  66  13.480  -8.638   4.118
  533   1HH1  ARG  66          1HH1      ARG  66  13.804  -8.571   1.902
  534   2HH1  ARG  66          2HH1      ARG  66  13.656  -7.061   1.036
  535   1HH2  ARG  66          1HH2      ARG  66  12.805  -5.160   3.823
  536   2HH2  ARG  66          2HH2      ARG  66  13.097  -5.155   2.105
  537    H    VAL  67           H        VAL  67  10.966  -2.641   5.862
  538    HA   VAL  67           HA       VAL  67  13.500  -1.683   4.682
  539    HB   VAL  67           HB       VAL  67  10.629  -0.718   4.392
  540   1HG1  VAL  67          1HG1      VAL  67  12.303   0.996   3.762
  541   2HG1  VAL  67          2HG1      VAL  67  13.073  -0.167   2.657
  542   3HG1  VAL  67          3HG1      VAL  67  11.429   0.418   2.329
  543   1HG2  VAL  67          1HG2      VAL  67  10.882  -3.017   3.494
  544   2HG2  VAL  67          2HG2      VAL  67  10.627  -1.857   2.175
  545   3HG2  VAL  67          3HG2      VAL  67  12.258  -2.477   2.504
  546    H    LYS  68           H        LYS  68  13.308  -1.723   7.517
  547    HA   LYS  68           HA       LYS  68  14.298   0.829   8.164
  548   1HB   LYS  68          1HB       LYS  68  11.518   0.901   8.151
  549   2HB   LYS  68          2HB       LYS  68  11.919   0.585   9.857
  550   1HG   LYS  68          1HG       LYS  68  13.692   2.597   9.155
  551   2HG   LYS  68          2HG       LYS  68  12.205   3.036   8.281
  552   1HD   LYS  68          1HD       LYS  68  11.948   4.028  10.435
  553   2HD   LYS  68          2HD       LYS  68  10.970   2.543  10.507
  554   1HE   LYS  68          1HE       LYS  68  13.113   1.408  11.446
  555   2HE   LYS  68          2HE       LYS  68  13.716   3.059  11.707
  556   1HZ   LYS  68          1HZ       LYS  68  11.740   3.474  13.003
  557   2HZ   LYS  68          2HZ       LYS  68  11.243   1.925  12.754
  558   3HZ   LYS  68          3HZ       LYS  68  12.612   2.221  13.595
  559    H    LYS  69           H        LYS  69  15.800  -0.845   8.711
  560    HA   LYS  69           HA       LYS  69  15.429  -2.713  10.799
  561   1HB   LYS  69          1HB       LYS  69  17.420  -2.068   8.988
  562   2HB   LYS  69          2HB       LYS  69  18.128  -1.565  10.543
  563   1HG   LYS  69          1HG       LYS  69  18.743  -3.874  10.056
  564   2HG   LYS  69          2HG       LYS  69  17.652  -3.824  11.462
  565   1HD   LYS  69          1HD       LYS  69  16.007  -4.954  10.386
  566   2HD   LYS  69          2HD       LYS  69  16.279  -4.086   8.856
  567   1HE   LYS  69          1HE       LYS  69  16.857  -6.274   8.297
  568   2HE   LYS  69          2HE       LYS  69  18.433  -5.553   8.688
  569   1HZ   LYS  69          1HZ       LYS  69  18.224  -6.525  10.879
  570   2HZ   LYS  69          2HZ       LYS  69  16.805  -7.220  10.447
  571   3HZ   LYS  69          3HZ       LYS  69  18.176  -7.648   9.692
  572    H    MET  70           H        MET  70  16.861  -2.572  12.838
  573    HA   MET  70           HA       MET  70  16.445   0.051  14.140
  574   1HB   MET  70          1HB       MET  70  15.593  -1.118  16.129
  575   2HB   MET  70          2HB       MET  70  14.575  -1.334  14.686
  576   1HG   MET  70          1HG       MET  70  14.559  -3.440  15.617
  577   2HG   MET  70          2HG       MET  70  15.846  -3.572  14.407
  578   1HE   MET  70          1HE       MET  70  14.911  -3.466  18.183
  579   2HE   MET  70          2HE       MET  70  16.490  -3.294  18.988
  580   3HE   MET  70          3HE       MET  70  15.829  -1.948  18.027

  No H/Q in entry =         580
  Start of MODEL    7
    1    H1   ALA   1           H1       ALA   1 -12.812  11.507  -3.058
    2    H2   ALA   1           H2       ALA   1 -12.000  10.066  -3.208
    3    H3   ALA   1           H3       ALA   1 -13.519  10.207  -3.743
    4    HA   ALA   1           HA       ALA   1 -14.397  10.530  -1.619
    5   1HB   ALA   1          1HB       ALA   1 -14.209   8.251  -2.512
    6   2HB   ALA   1          2HB       ALA   1 -14.027   8.251  -0.744
    7   3HB   ALA   1          3HB       ALA   1 -12.594   8.090  -1.783
    8    H    SER   2           H        SER   2 -10.985  10.470  -1.675
    9    HA   SER   2           HA       SER   2 -10.256  12.178   0.248
   10   1HB   SER   2          1HB       SER   2 -10.800   9.569   1.576
   11   2HB   SER   2          2HB       SER   2  -9.309  10.426   2.037
   12    HG   SER   2           HG       SER   2 -11.430  10.938   3.196
   13    H    ASN   3           H        ASN   3  -9.250  11.483  -2.217
   14    HA   ASN   3           HA       ASN   3  -6.505  10.721  -1.566
   15   1HB   ASN   3          1HB       ASN   3  -6.376   9.047  -3.274
   16   2HB   ASN   3          2HB       ASN   3  -7.702   8.625  -2.168
   17   2HD2  ASN   3          2HD2      ASN   3  -6.948  10.018  -5.344
   18   1HD2  ASN   3          1HD2      ASN   3  -8.498   9.661  -6.083
   19    H    TYR   4           H        TYR   4  -5.391  10.699  -3.984
   20    HA   TYR   4           HA       TYR   4  -6.299  13.110  -5.463
   21   1HB   TYR   4          1HB       TYR   4  -4.014  12.829  -3.845
   22   2HB   TYR   4          2HB       TYR   4  -3.423  12.667  -5.508
   23    HD1  TYR   4           HD1      TYR   4  -2.963  14.898  -3.384
   24    HD2  TYR   4           HD2      TYR   4  -5.649  14.544  -6.754
   25    HE1  TYR   4           HE1      TYR   4  -2.901  17.377  -3.690
   26    HE2  TYR   4           HE2      TYR   4  -5.623  17.028  -7.037
   27    HH   TYR   4           HH       TYR   4  -4.857  18.908  -6.314
   28    H    ASP   5           H        ASP   5  -4.449  13.149  -7.442
   29    HA   ASP   5           HA       ASP   5  -5.078  10.839  -9.122
   30   1HB   ASP   5          1HB       ASP   5  -3.715  13.509  -9.535
   31   2HB   ASP   5          2HB       ASP   5  -3.635  12.223 -10.758
   32    HD2  ASP   5           HD2      ASP   5  -6.482  14.558 -11.211
   33    H    CYS   6           H        CYS   6  -3.675   9.892  -7.027
   34    HA   CYS   6           HA       CYS   6  -0.837   9.993  -7.269
   35   1HB   CYS   6          1HB       CYS   6  -2.134   9.339  -5.237
   36   2HB   CYS   6          2HB       CYS   6  -2.471   7.782  -6.033
   37    H    CYS   7           H        CYS   7  -1.198   6.673  -7.197
   38    HA   CYS   7           HA       CYS   7  -0.050   6.181  -9.701
   39   1HB   CYS   7          1HB       CYS   7  -0.513   3.900  -9.369
   40   2HB   CYS   7          2HB       CYS   7  -0.185   4.607  -7.767
   41    H    LEU   8           H        LEU   8  -1.345   4.521 -11.293
   42    HA   LEU   8           HA       LEU   8  -2.884   5.854 -13.020
   43   1HB   LEU   8          1HB       LEU   8  -2.153   3.189 -12.525
   44   2HB   LEU   8          2HB       LEU   8  -3.921   3.151 -12.733
   45    HG   LEU   8           HG       LEU   8  -2.487   4.910 -14.620
   46   1HD1  LEU   8          1HD1      LEU   8  -0.838   3.104 -14.445
   47   2HD1  LEU   8          2HD1      LEU   8  -2.105   1.900 -14.779
   48   3HD1  LEU   8          3HD1      LEU   8  -1.642   3.076 -16.032
   49   1HD2  LEU   8          1HD2      LEU   8  -4.892   4.459 -14.780
   50   2HD2  LEU   8          2HD2      LEU   8  -4.042   3.881 -16.231
   51   3HD2  LEU   8          3HD2      LEU   8  -4.562   2.721 -14.987
   52    H    SER   9           H        SER   9  -4.196   4.151 -10.174
   53    HA   SER   9           HA       SER   9  -6.290   6.018  -9.819
   54   1HB   SER   9          1HB       SER   9  -7.062   3.193 -10.669
   55   2HB   SER   9          2HB       SER   9  -8.157   4.308  -9.816
   56    HG   SER   9           HG       SER   9  -8.310   4.406 -12.214
   57    H    TYR  10           H        TYR  10  -6.443   6.235  -7.695
   58    HA   TYR  10           HA       TYR  10  -5.144   4.924  -5.678
   59   1HB   TYR  10          1HB       TYR  10  -6.544   7.010  -5.526
   60   2HB   TYR  10          2HB       TYR  10  -7.994   5.993  -5.555
   61    HD1  TYR  10           HD1      TYR  10  -8.882   5.098  -3.525
   62    HD2  TYR  10           HD2      TYR  10  -4.836   6.628  -3.659
   63    HE1  TYR  10           HE1      TYR  10  -8.721   4.895  -1.033
   64    HE2  TYR  10           HE2      TYR  10  -4.717   6.525  -1.160
   65    HH   TYR  10           HH       TYR  10  -5.865   6.060   0.750
   66    H    ILE  11           H        ILE  11  -5.933   3.403  -3.966
   67    HA   ILE  11           HA       ILE  11  -6.991   1.047  -5.055
   68    HB   ILE  11           HB       ILE  11  -5.460   1.128  -3.172
   69   1HG1  ILE  11          1HG1      ILE  11  -6.344  -0.726  -1.992
   70   2HG1  ILE  11          2HG1      ILE  11  -8.017  -0.255  -2.377
   71   1HG2  ILE  11          1HG2      ILE  11  -6.418   2.974  -1.855
   72   2HG2  ILE  11          2HG2      ILE  11  -7.855   1.984  -1.507
   73   3HG2  ILE  11          3HG2      ILE  11  -6.271   1.511  -0.861
   74   1HD1  ILE  11          1HD1      ILE  11  -5.942  -1.246  -4.372
   75   2HD1  ILE  11          2HD1      ILE  11  -7.301  -2.200  -3.744
   76   3HD1  ILE  11          3HD1      ILE  11  -7.616  -0.777  -4.756
   77    H    GLN  12           H        GLN  12  -8.802   1.612  -6.168
   78    HA   GLN  12           HA       GLN  12 -11.128   2.651  -5.134
   79   1HB   GLN  12          1HB       GLN  12 -10.528   0.804  -7.415
   80   2HB   GLN  12          2HB       GLN  12 -12.222   1.130  -6.980
   81   1HG   GLN  12          1HG       GLN  12 -11.054   3.658  -6.928
   82   2HG   GLN  12          2HG       GLN  12 -10.248   2.869  -8.300
   83   2HE2  GLN  12          2HE2      GLN  12 -13.517   3.242  -6.866
   84   1HE2  GLN  12          1HE2      GLN  12 -14.369   3.396  -8.389
   85    H    THR  13           H        THR  13  -9.722  -0.310  -4.360
   86    HA   THR  13           HA       THR  13 -11.906  -1.048  -2.634
   87    HB   THR  13           HB       THR  13 -11.360  -2.541  -5.099
   88    HG1  THR  13           HG1      THR  13 -13.673  -2.919  -4.574
   89   1HG2  THR  13          1HG2      THR  13 -12.041  -4.099  -2.587
   90   2HG2  THR  13          2HG2      THR  13 -12.151  -4.722  -4.243
   91   3HG2  THR  13          3HG2      THR  13 -10.570  -4.288  -3.569
   92    HA   PRO  14           HA       PRO  14  -8.125  -1.702  -0.394
   93   1HB   PRO  14          1HB       PRO  14  -9.398  -1.525   2.094
   94   2HB   PRO  14          2HB       PRO  14  -8.667  -0.179   1.162
   95   1HG   PRO  14          1HG       PRO  14 -11.526  -0.862   1.519
   96   2HG   PRO  14          2HG       PRO  14 -10.775   0.738   1.219
   97   1HD   PRO  14          1HD       PRO  14 -12.108  -0.859  -0.671
   98   2HD   PRO  14          2HD       PRO  14 -10.949   0.449  -1.054
   99    H    LEU  15           H        LEU  15  -7.443  -3.765  -0.562
  100    HA   LEU  15           HA       LEU  15  -9.278  -5.848   0.420
  101   1HB   LEU  15          1HB       LEU  15  -7.818  -7.386  -0.934
  102   2HB   LEU  15          2HB       LEU  15  -8.764  -6.192  -1.854
  103    HG   LEU  15           HG       LEU  15  -6.102  -5.172  -1.180
  104   1HD1  LEU  15          1HD1      LEU  15  -5.601  -7.603  -1.223
  105   2HD1  LEU  15          2HD1      LEU  15  -6.393  -7.737  -2.811
  106   3HD1  LEU  15          3HD1      LEU  15  -4.903  -6.772  -2.636
  107   1HD2  LEU  15          1HD2      LEU  15  -7.525  -5.777  -3.808
  108   2HD2  LEU  15          2HD2      LEU  15  -7.595  -4.234  -2.923
  109   3HD2  LEU  15          3HD2      LEU  15  -6.055  -4.790  -3.624
  110    HA   PRO  16           HA       PRO  16  -6.769  -6.571   3.934
  111   1HB   PRO  16          1HB       PRO  16  -6.965  -9.265   4.404
  112   2HB   PRO  16          2HB       PRO  16  -8.302  -8.100   4.675
  113   1HG   PRO  16          1HG       PRO  16  -7.892  -9.969   2.365
  114   2HG   PRO  16          2HG       PRO  16  -9.418  -9.564   3.219
  115   1HD   PRO  16          1HD       PRO  16  -8.625  -8.461   0.785
  116   2HD   PRO  16          2HD       PRO  16  -9.688  -7.619   1.953
  117    H    SER  17           H        SER  17  -4.635  -7.196   4.590
  118    HA   SER  17           HA       SER  17  -2.701  -7.587   2.663
  119   1HB   SER  17          1HB       SER  17  -1.264  -8.316   4.669
  120   2HB   SER  17          2HB       SER  17  -1.965  -6.681   4.676
  121    HG   SER  17           HG       SER  17  -2.270  -7.847   6.701
  122    H    ARG  18           H        ARG  18  -4.787  -9.972   3.955
  123    HA   ARG  18           HA       ARG  18  -3.316 -12.349   3.555
  124   1HB   ARG  18          1HB       ARG  18  -5.880 -11.632   4.355
  125   2HB   ARG  18          2HB       ARG  18  -6.163 -12.448   2.799
  126   1HG   ARG  18          1HG       ARG  18  -4.479 -14.236   3.724
  127   2HG   ARG  18          2HG       ARG  18  -4.868 -13.526   5.309
  128   1HD   ARG  18          1HD       ARG  18  -7.360 -13.760   4.432
  129   2HD   ARG  18          2HD       ARG  18  -6.642 -15.003   3.383
  130    HE   ARG  18           HE       ARG  18  -5.657 -15.547   5.899
  131   1HH1  ARG  18          1HH1      ARG  18  -6.629 -16.955   7.415
  132   2HH1  ARG  18          2HH1      ARG  18  -8.333 -17.332   7.290
  133   1HH2  ARG  18          1HH2      ARG  18  -8.878 -15.327   4.490
  134   2HH2  ARG  18          2HH2      ARG  18  -9.594 -16.419   5.650
  135    H    ALA  19           H        ALA  19  -4.539 -10.045   1.227
  136    HA   ALA  19           HA       ALA  19  -4.184 -11.987  -0.984
  137   1HB   ALA  19          1HB       ALA  19  -5.561 -10.387  -2.271
  138   2HB   ALA  19          2HB       ALA  19  -6.421 -10.951  -0.815
  139   3HB   ALA  19          3HB       ALA  19  -5.680  -9.334  -0.839
  140    H    ILE  20           H        ILE  20  -2.310  -9.876   0.750
  141    HA   ILE  20           HA       ILE  20  -1.008  -8.674  -1.612
  142    HB   ILE  20           HB       ILE  20  -1.153  -7.994   1.327
  143   1HG1  ILE  20          1HG1      ILE  20  -1.556  -5.696   0.291
  144   2HG1  ILE  20          2HG1      ILE  20  -1.754  -6.559  -1.254
  145   1HG2  ILE  20          1HG2      ILE  20   1.223  -7.860   0.698
  146   2HG2  ILE  20          2HG2      ILE  20   0.801  -6.823  -0.686
  147   3HG2  ILE  20          3HG2      ILE  20   0.554  -6.238   0.972
  148   1HD1  ILE  20          1HD1      ILE  20  -3.470  -6.906   1.212
  149   2HD1  ILE  20          2HD1      ILE  20  -3.937  -6.017  -0.249
  150   3HD1  ILE  20          3HD1      ILE  20  -3.669  -7.768  -0.332
  151    H    VAL  21           H        VAL  21   0.550  -9.758  -2.370
  152    HA   VAL  21           HA       VAL  21   2.046 -11.595  -0.641
  153    HB   VAL  21           HB       VAL  21   2.976 -12.489  -2.760
  154   1HG1  VAL  21          1HG1      VAL  21   1.134 -13.549  -1.525
  155   2HG1  VAL  21          2HG1      VAL  21  -0.048 -12.575  -2.433
  156   3HG1  VAL  21          3HG1      VAL  21   0.934 -13.795  -3.274
  157   1HG2  VAL  21          1HG2      VAL  21   2.596 -10.650  -4.316
  158   2HG2  VAL  21          2HG2      VAL  21   1.806 -12.127  -4.899
  159   3HG2  VAL  21          3HG2      VAL  21   0.835 -10.852  -4.138
  160    H    GLY  22           H        GLY  22   2.555  -8.785  -2.781
  161   1HA   GLY  22          1HA       GLY  22   5.104  -8.407  -3.255
  162   2HA   GLY  22          2HA       GLY  22   5.144  -8.268  -1.483
  163    H    PHE  23           H        PHE  23   5.339  -6.084  -1.075
  164    HA   PHE  23           HA       PHE  23   3.963  -4.202  -2.815
  165   1HB   PHE  23          1HB       PHE  23   2.828  -3.097  -0.974
  166   2HB   PHE  23          2HB       PHE  23   2.290  -4.778  -1.132
  167    HD1  PHE  23           HD1      PHE  23   3.138  -6.516   0.457
  168    HD2  PHE  23           HD2      PHE  23   3.822  -2.278   0.996
  169    HE1  PHE  23           HE1      PHE  23   3.779  -6.947   2.829
  170    HE2  PHE  23           HE2      PHE  23   4.374  -2.702   3.395
  171    HZ   PHE  23           HZ       PHE  23   4.412  -5.023   4.263
  172    H    THR  24           H        THR  24   4.374  -1.909  -2.063
  173    HA   THR  24           HA       THR  24   7.034  -1.543  -0.798
  174    HB   THR  24           HB       THR  24   6.428  -0.249  -3.454
  175    HG1  THR  24           HG1      THR  24   7.776  -2.158  -4.310
  176   1HG2  THR  24          1HG2      THR  24   8.395   0.506  -2.136
  177   2HG2  THR  24          2HG2      THR  24   9.011  -1.164  -2.099
  178   3HG2  THR  24          3HG2      THR  24   8.910  -0.287  -3.643
  179    H    ARG  25           H        ARG  25   7.504   0.884  -0.754
  180    HA   ARG  25           HA       ARG  25   5.138   2.260   0.372
  181   1HB   ARG  25          1HB       ARG  25   8.156   2.507   0.697
  182   2HB   ARG  25          2HB       ARG  25   6.970   3.572   1.490
  183   1HG   ARG  25          1HG       ARG  25   6.508   0.645   1.834
  184   2HG   ARG  25          2HG       ARG  25   7.959   1.296   2.633
  185   1HD   ARG  25          1HD       ARG  25   5.824   3.151   3.089
  186   2HD   ARG  25          2HD       ARG  25   5.202   1.527   3.450
  187    HE   ARG  25           HE       ARG  25   6.542   1.486   5.313
  188   1HH1  ARG  25          1HH1      ARG  25   8.170   2.107   6.769
  189   2HH1  ARG  25          2HH1      ARG  25   9.373   3.277   6.283
  190   1HH2  ARG  25          1HH2      ARG  25   8.059   3.773   3.104
  191   2HH2  ARG  25          2HH2      ARG  25   9.311   4.205   4.241
  192    H    GLN  26           H        GLN  26   4.604   4.332  -0.305
  193    HA   GLN  26           HA       GLN  26   6.246   5.551  -2.460
  194   1HB   GLN  26          1HB       GLN  26   4.177   4.142  -3.156
  195   2HB   GLN  26          2HB       GLN  26   3.243   5.512  -2.508
  196   1HG   GLN  26          1HG       GLN  26   5.424   6.064  -4.492
  197   2HG   GLN  26          2HG       GLN  26   3.892   5.373  -5.072
  198   2HE2  GLN  26          2HE2      GLN  26   1.937   6.523  -3.681
  199   1HE2  GLN  26          1HE2      GLN  26   1.952   8.264  -3.874
  200    H    MET  27           H        MET  27   6.367   7.667  -2.452
  201    HA   MET  27           HA       MET  27   5.174   9.142  -0.165
  202   1HB   MET  27          1HB       MET  27   7.901   9.603  -1.426
  203   2HB   MET  27          2HB       MET  27   7.252  10.326   0.066
  204   1HG   MET  27          1HG       MET  27   8.020   7.415  -0.354
  205   2HG   MET  27          2HG       MET  27   8.914   8.615   0.594
  206   1HE   MET  27          1HE       MET  27   8.279   5.869   1.838
  207   2HE   MET  27          2HE       MET  27   6.690   5.639   2.607
  208   3HE   MET  27          3HE       MET  27   6.825   5.660   0.832
  209    H    ALA  28           H        ALA  28   4.843  11.361  -0.505
  210    HA   ALA  28           HA       ALA  28   3.809  12.135  -3.075
  211   1HB   ALA  28          1HB       ALA  28   4.307  13.613  -0.452
  212   2HB   ALA  28          2HB       ALA  28   2.809  12.759  -0.894
  213   3HB   ALA  28          3HB       ALA  28   3.315  14.200  -1.811
  214    H    ASP  29           H        ASP  29   5.343  12.447  -4.667
  215    HA   ASP  29           HA       ASP  29   7.076  14.651  -4.616
  216   1HB   ASP  29          1HB       ASP  29   8.264  12.330  -3.391
  217   2HB   ASP  29          2HB       ASP  29   9.101  12.684  -4.916
  218    HD2  ASP  29           HD2      ASP  29   9.598  15.103  -1.853
  219    H    GLU  30           H        GLU  30   7.418  11.300  -5.862
  220    HA   GLU  30           HA       GLU  30   8.199  12.018  -8.489
  221   1HB   GLU  30          1HB       GLU  30   8.214   9.791  -6.958
  222   2HB   GLU  30          2HB       GLU  30   6.788   9.434  -7.960
  223   1HG   GLU  30          1HG       GLU  30   8.556   8.483  -9.174
  224   2HG   GLU  30          2HG       GLU  30   8.303  10.053  -9.970
  225    H    ALA  31           H        ALA  31   6.255  10.132  -9.889
  226    HA   ALA  31           HA       ALA  31   4.411  11.900 -10.978
  227   1HB   ALA  31          1HB       ALA  31   4.258   8.878 -10.708
  228   2HB   ALA  31          2HB       ALA  31   5.110   9.771 -11.989
  229   3HB   ALA  31          3HB       ALA  31   3.337   9.869 -11.863
  230    H    CYS  32           H        CYS  32   4.288  10.370  -7.841
  231    HA   CYS  32           HA       CYS  32   1.409  10.964  -7.595
  232   1HB   CYS  32          1HB       CYS  32   3.291   9.198  -6.069
  233   2HB   CYS  32          2HB       CYS  32   1.868   9.913  -5.272
  234    H    ASP  33           H        ASP  33   0.780  12.404  -6.188
  235    HA   ASP  33           HA       ASP  33   2.820  14.068  -4.831
  236   1HB   ASP  33          1HB       ASP  33   1.298  15.077  -6.592
  237   2HB   ASP  33          2HB       ASP  33  -0.060  14.774  -5.484
  238    HD2  ASP  33           HD2      ASP  33   2.396  17.274  -3.720
  239    H    ILE  34           H        ILE  34   0.895  11.505  -4.083
  240    HA   ILE  34           HA       ILE  34   0.586  12.412  -1.321
  241    HB   ILE  34           HB       ILE  34  -1.507  11.211  -1.060
  242   1HG1  ILE  34          1HG1      ILE  34  -1.494  10.830  -4.052
  243   2HG1  ILE  34          2HG1      ILE  34  -1.142   9.565  -2.849
  244   1HG2  ILE  34          1HG2      ILE  34  -1.525  13.603  -1.511
  245   2HG2  ILE  34          2HG2      ILE  34  -1.605  13.288  -3.260
  246   3HG2  ILE  34          3HG2      ILE  34  -2.959  12.811  -2.208
  247   1HD1  ILE  34          1HD1      ILE  34  -3.782  11.017  -3.181
  248   2HD1  ILE  34          2HD1      ILE  34  -3.445   9.356  -3.709
  249   3HD1  ILE  34          3HD1      ILE  34  -3.427   9.751  -1.980
  250    H    ASN  35           H        ASN  35   0.541  10.599   0.171
  251    HA   ASN  35           HA       ASN  35   2.564   8.626  -0.528
  252   1HB   ASN  35          1HB       ASN  35   2.262   8.036   1.882
  253   2HB   ASN  35          2HB       ASN  35   2.740   9.724   1.595
  254   2HD2  ASN  35          2HD2      ASN  35   1.959   9.881   3.871
  255   1HD2  ASN  35          1HD2      ASN  35   0.265  10.246   4.130
  256    H    ALA  36           H        ALA  36   2.206   6.493  -0.899
  257    HA   ALA  36           HA       ALA  36  -0.399   5.328  -0.392
  258   1HB   ALA  36          1HB       ALA  36  -0.774   4.624  -2.726
  259   2HB   ALA  36          2HB       ALA  36   0.651   5.557  -3.238
  260   3HB   ALA  36          3HB       ALA  36  -0.772   6.397  -2.576
  261    H    ILE  37           H        ILE  37  -0.367   2.996  -0.422
  262    HA   ILE  37           HA       ILE  37   2.381   1.929  -0.486
  263    HB   ILE  37           HB       ILE  37  -0.161   0.865   0.750
  264   1HG1  ILE  37          1HG1      ILE  37   0.339   2.786   1.928
  265   2HG1  ILE  37          2HG1      ILE  37   1.024   1.458   2.896
  266   1HG2  ILE  37          1HG2      ILE  37   1.362  -0.945   0.162
  267   2HG2  ILE  37          2HG2      ILE  37   2.683  -0.141   1.044
  268   3HG2  ILE  37          3HG2      ILE  37   1.266  -0.754   1.926
  269   1HD1  ILE  37          1HD1      ILE  37   2.591   3.376   1.145
  270   2HD1  ILE  37          2HD1      ILE  37   2.513   3.435   2.913
  271   3HD1  ILE  37          3HD1      ILE  37   3.275   2.049   2.113
  272    H    ILE  38           H        ILE  38   2.975   1.088  -2.216
  273    HA   ILE  38           HA       ILE  38   1.235   0.249  -4.366
  274    HB   ILE  38           HB       ILE  38   4.116   0.650  -3.817
  275   1HG1  ILE  38          1HG1      ILE  38   3.002   1.309  -6.446
  276   2HG1  ILE  38          2HG1      ILE  38   2.015   1.954  -5.112
  277   1HG2  ILE  38          1HG2      ILE  38   4.247  -1.553  -4.880
  278   2HG2  ILE  38          2HG2      ILE  38   3.232  -0.968  -6.219
  279   3HG2  ILE  38          3HG2      ILE  38   4.855  -0.297  -5.975
  280   1HD1  ILE  38          1HD1      ILE  38   5.039   2.253  -5.395
  281   2HD1  ILE  38          2HD1      ILE  38   3.832   3.523  -5.716
  282   3HD1  ILE  38          3HD1      ILE  38   4.051   2.898  -4.062
  283    H    PHE  39           H        PHE  39  -0.019  -1.449  -3.762
  284    HA   PHE  39           HA       PHE  39   1.183  -3.862  -2.599
  285   1HB   PHE  39          1HB       PHE  39  -1.649  -2.940  -3.152
  286   2HB   PHE  39          2HB       PHE  39  -1.270  -4.589  -2.626
  287    HD1  PHE  39           HD1      PHE  39   0.512  -4.642  -0.633
  288    HD2  PHE  39           HD2      PHE  39  -2.222  -1.390  -1.382
  289    HE1  PHE  39           HE1      PHE  39   0.393  -4.214   1.807
  290    HE2  PHE  39           HE2      PHE  39  -2.297  -0.919   1.074
  291    HZ   PHE  39           HZ       PHE  39  -1.068  -2.385   2.658
  292    H    HIS  40           H        HIS  40   1.313  -5.861  -3.609
  293    HA   HIS  40           HA       HIS  40   0.407  -6.027  -6.437
  294   1HB   HIS  40          1HB       HIS  40   2.906  -7.319  -5.294
  295   2HB   HIS  40          2HB       HIS  40   2.428  -7.169  -6.996
  296    HD1  HIS  40           HD1      HIS  40   2.193  -4.349  -7.603
  297    HD2  HIS  40           HD2      HIS  40   4.673  -5.581  -4.570
  298    HE1  HIS  40           HE1      HIS  40   4.110  -2.662  -7.532
  299    HE2  HIS  40           HE2      HIS  40   5.346  -3.264  -5.359
  300    H    THR  41           H        THR  41  -1.416  -7.034  -5.794
  301    HA   THR  41           HA       THR  41  -1.462  -9.241  -3.980
  302    HB   THR  41           HB       THR  41  -3.719  -9.323  -4.321
  303    HG1  THR  41           HG1      THR  41  -4.466  -8.189  -6.517
  304   1HG2  THR  41          1HG2      THR  41  -3.181  -7.079  -3.526
  305   2HG2  THR  41          2HG2      THR  41  -3.082  -6.498  -5.205
  306   3HG2  THR  41          3HG2      THR  41  -4.635  -7.051  -4.544
  307    H    LYS  42           H        LYS  42  -2.895 -11.254  -5.148
  308    HA   LYS  42           HA       LYS  42  -0.920 -12.391  -6.996
  309   1HB   LYS  42          1HB       LYS  42  -2.017 -13.462  -4.825
  310   2HB   LYS  42          2HB       LYS  42  -3.251 -13.962  -6.007
  311   1HG   LYS  42          1HG       LYS  42  -1.874 -15.493  -6.955
  312   2HG   LYS  42          2HG       LYS  42  -0.491 -14.373  -6.961
  313   1HD   LYS  42          1HD       LYS  42  -0.022 -14.836  -4.638
  314   2HD   LYS  42          2HD       LYS  42  -1.518 -15.785  -4.474
  315   1HE   LYS  42          1HE       LYS  42   0.118 -16.829  -6.648
  316   2HE   LYS  42          2HE       LYS  42   1.055 -16.758  -5.140
  317   1HZ   LYS  42          1HZ       LYS  42  -1.617 -17.936  -5.423
  318   2HZ   LYS  42          2HZ       LYS  42  -0.225 -18.773  -5.328
  319   3HZ   LYS  42          3HZ       LYS  42  -0.717 -17.897  -4.046
  320    H    LYS  43           H        LYS  43  -3.891 -10.742  -7.205
  321    HA   LYS  43           HA       LYS  43  -4.139 -11.413 -10.039
  322   1HB   LYS  43          1HB       LYS  43  -5.601 -12.944  -8.429
  323   2HB   LYS  43          2HB       LYS  43  -6.664 -11.516  -8.411
  324   1HG   LYS  43          1HG       LYS  43  -5.897 -11.973 -11.123
  325   2HG   LYS  43          2HG       LYS  43  -6.391 -13.540 -10.440
  326   1HD   LYS  43          1HD       LYS  43  -8.422 -12.158  -9.487
  327   2HD   LYS  43          2HD       LYS  43  -7.992 -11.008 -10.776
  328   1HE   LYS  43          1HE       LYS  43  -9.513 -12.355 -11.896
  329   2HE   LYS  43          2HE       LYS  43  -7.995 -13.193 -12.282
  330   1HZ   LYS  43          1HZ       LYS  43  -8.424 -14.629 -10.380
  331   2HZ   LYS  43          2HZ       LYS  43  -9.860 -13.865 -10.127
  332   3HZ   LYS  43          3HZ       LYS  43  -9.613 -14.727 -11.488
  333    H    ARG  44           H        ARG  44  -3.161  -9.072  -8.854
  334    HA   ARG  44           HA       ARG  44  -4.854  -7.058 -10.071
  335   1HB   ARG  44          1HB       ARG  44  -5.546  -7.610  -7.483
  336   2HB   ARG  44          2HB       ARG  44  -4.230  -6.442  -7.226
  337   1HG   ARG  44          1HG       ARG  44  -5.409  -4.752  -8.481
  338   2HG   ARG  44          2HG       ARG  44  -6.670  -5.917  -8.949
  339   1HD   ARG  44          1HD       ARG  44  -6.504  -6.169  -6.162
  340   2HD   ARG  44          2HD       ARG  44  -6.346  -4.422  -6.446
  341    HE   ARG  44           HE       ARG  44  -8.682  -6.066  -6.853
  342   1HH1  ARG  44          1HH1      ARG  44 -10.595  -5.166  -7.665
  343   2HH1  ARG  44          2HH1      ARG  44 -10.565  -3.600  -8.441
  344   1HH2  ARG  44          1HH2      ARG  44  -7.129  -3.115  -8.037
  345   2HH2  ARG  44          2HH2      ARG  44  -8.619  -2.448  -8.651
  346    H    LYS  45           H        LYS  45  -3.548  -5.635 -10.846
  347    HA   LYS  45           HA       LYS  45  -0.720  -5.745 -10.624
  348   1HB   LYS  45          1HB       LYS  45  -2.618  -3.683 -11.788
  349   2HB   LYS  45          2HB       LYS  45  -0.847  -3.591 -11.927
  350   1HG   LYS  45          1HG       LYS  45  -1.177  -6.119 -12.762
  351   2HG   LYS  45          2HG       LYS  45  -2.778  -5.487 -13.210
  352   1HD   LYS  45          1HD       LYS  45  -1.745  -3.725 -14.557
  353   2HD   LYS  45          2HD       LYS  45  -0.123  -4.251 -14.045
  354   1HE   LYS  45          1HE       LYS  45  -0.572  -6.489 -15.074
  355   2HE   LYS  45          2HE       LYS  45  -2.130  -5.870 -15.667
  356   1HZ   LYS  45          1HZ       LYS  45  -0.913  -4.186 -16.851
  357   2HZ   LYS  45          2HZ       LYS  45   0.518  -4.809 -16.328
  358   3HZ   LYS  45          3HZ       LYS  45  -0.446  -5.685 -17.314
  359    H    SER  46           H        SER  46   0.351  -3.308 -10.291
  360    HA   SER  46           HA       SER  46   0.602  -2.982  -7.555
  361   1HB   SER  46          1HB       SER  46   1.224  -0.497  -8.657
  362   2HB   SER  46          2HB       SER  46   2.341  -1.856  -8.383
  363    HG   SER  46           HG       SER  46   2.358  -1.054 -10.587
  364    H    VAL  47           H        VAL  47  -0.647  -2.278  -6.097
  365    HA   VAL  47           HA       VAL  47  -2.866  -0.412  -6.775
  366    HB   VAL  47           HB       VAL  47  -2.488  -2.799  -5.088
  367   1HG1  VAL  47          1HG1      VAL  47  -2.847  -1.247  -3.261
  368   2HG1  VAL  47          2HG1      VAL  47  -4.330  -0.646  -4.043
  369   3HG1  VAL  47          3HG1      VAL  47  -4.250  -2.317  -3.451
  370   1HG2  VAL  47          1HG2      VAL  47  -3.780  -2.798  -7.141
  371   2HG2  VAL  47          2HG2      VAL  47  -4.810  -3.206  -5.749
  372   3HG2  VAL  47          3HG2      VAL  47  -4.887  -1.579  -6.463
  373    H    CYS  48           H        CYS  48  -2.740   1.651  -6.039
  374    HA   CYS  48           HA       CYS  48  -0.714   2.149  -3.941
  375   1HB   CYS  48          1HB       CYS  48  -0.663   4.424  -4.597
  376   2HB   CYS  48          2HB       CYS  48  -0.475   3.405  -6.047
  377    H    ALA  49           H        ALA  49  -1.581   1.854  -2.010
  378    HA   ALA  49           HA       ALA  49  -4.190   3.178  -1.495
  379   1HB   ALA  49          1HB       ALA  49  -4.029   0.711  -1.347
  380   2HB   ALA  49          2HB       ALA  49  -4.329   1.439   0.253
  381   3HB   ALA  49          3HB       ALA  49  -2.697   0.865  -0.178
  382    H    ASP  50           H        ASP  50  -4.199   4.978  -0.247
  383    HA   ASP  50           HA       ASP  50  -1.947   6.228   0.760
  384   1HB   ASP  50          1HB       ASP  50  -4.732   6.658   0.774
  385   2HB   ASP  50          2HB       ASP  50  -4.232   6.737   2.478
  386    HD2  ASP  50           HD2      ASP  50  -2.786   9.782   2.047
  387    HA   PRO  51           HA       PRO  51  -0.962   3.682   4.328
  388   1HB   PRO  51          1HB       PRO  51   1.139   5.122   5.351
  389   2HB   PRO  51          2HB       PRO  51   1.225   4.083   3.892
  390   1HG   PRO  51          1HG       PRO  51   0.945   7.055   4.055
  391   2HG   PRO  51          2HG       PRO  51   1.920   6.082   2.905
  392   1HD   PRO  51          1HD       PRO  51  -0.572   7.202   2.344
  393   2HD   PRO  51          2HD       PRO  51   0.078   5.749   1.525
  394    H    LYS  52           H        LYS  52  -3.221   4.923   4.659
  395    HA   LYS  52           HA       LYS  52  -3.072   6.315   7.278
  396   1HB   LYS  52          1HB       LYS  52  -5.287   6.496   5.215
  397   2HB   LYS  52          2HB       LYS  52  -5.093   7.474   6.688
  398   1HG   LYS  52          1HG       LYS  52  -3.339   7.525   4.217
  399   2HG   LYS  52          2HG       LYS  52  -4.478   8.783   4.751
  400   1HD   LYS  52          1HD       LYS  52  -2.680   8.300   6.904
  401   2HD   LYS  52          2HD       LYS  52  -1.708   8.456   5.421
  402   1HE   LYS  52          1HE       LYS  52  -2.259  10.667   5.146
  403   2HE   LYS  52          2HE       LYS  52  -3.929  10.425   5.702
  404   1HZ   LYS  52          1HZ       LYS  52  -3.072  10.211   7.922
  405   2HZ   LYS  52          2HZ       LYS  52  -1.544  10.459   7.401
  406   3HZ   LYS  52          3HZ       LYS  52  -2.656  11.657   7.284
  407    H    GLN  53           H        GLN  53  -5.286   4.264   5.291
  408    HA   GLN  53           HA       GLN  53  -6.928   3.288   7.275
  409   1HB   GLN  53          1HB       GLN  53  -5.768   1.759   4.922
  410   2HB   GLN  53          2HB       GLN  53  -7.254   1.348   5.812
  411   1HG   GLN  53          1HG       GLN  53  -8.483   2.734   4.545
  412   2HG   GLN  53          2HG       GLN  53  -7.358   4.083   4.816
  413   2HE2  GLN  53          2HE2      GLN  53  -5.024   3.092   3.661
  414   1HE2  GLN  53          1HE2      GLN  53  -5.253   2.765   1.951
  415    H    ASN  54           H        ASN  54  -7.042   0.985   8.068
  416    HA   ASN  54           HA       ASN  54  -4.625   0.425   9.568
  417   1HB   ASN  54          1HB       ASN  54  -7.440   0.053   9.950
  418   2HB   ASN  54          2HB       ASN  54  -6.622  -1.518  10.101
  419   2HD2  ASN  54          2HD2      ASN  54  -5.549  -1.959  11.945
  420   1HD2  ASN  54          1HD2      ASN  54  -5.162  -0.801  13.199
  421    H    TRP  55           H        TRP  55  -6.518  -1.108   6.955
  422    HA   TRP  55           HA       TRP  55  -5.140  -3.587   6.987
  423   1HB   TRP  55          1HB       TRP  55  -6.249  -4.005   4.916
  424   2HB   TRP  55          2HB       TRP  55  -7.375  -3.088   5.929
  425    HD1  TRP  55           HD1      TRP  55  -8.048  -0.646   5.075
  426    HE1  TRP  55           HE1      TRP  55  -7.706   0.612   2.891
  427    HE3  TRP  55           HE3      TRP  55  -4.732  -3.801   2.944
  428    HZ2  TRP  55           HZ2      TRP  55  -6.396   0.168   0.425
  429    HZ3  TRP  55           HZ3      TRP  55  -4.241  -3.561   0.513
  430    HH2  TRP  55           HH2      TRP  55  -5.052  -1.581  -0.731
  431    H    VAL  56           H        VAL  56  -4.554  -0.489   5.388
  432    HA   VAL  56           HA       VAL  56  -2.317  -1.298   3.776
  433    HB   VAL  56           HB       VAL  56  -3.606   1.284   4.653
  434   1HG1  VAL  56          1HG1      VAL  56  -1.080   1.041   2.967
  435   2HG1  VAL  56          2HG1      VAL  56  -2.010   2.534   3.213
  436   3HG1  VAL  56          3HG1      VAL  56  -1.169   1.782   4.583
  437   1HG2  VAL  56          1HG2      VAL  56  -4.476  -0.061   2.754
  438   2HG2  VAL  56          2HG2      VAL  56  -3.822   1.496   2.194
  439   3HG2  VAL  56          3HG2      VAL  56  -2.868   0.007   1.990
  440    H    LYS  57           H        LYS  57  -2.651   0.584   6.865
  441    HA   LYS  57           HA       LYS  57   0.106   0.796   7.310
  442   1HB   LYS  57          1HB       LYS  57  -0.417   1.785   9.279
  443   2HB   LYS  57          2HB       LYS  57  -1.975   1.953   8.435
  444   1HG   LYS  57          1HG       LYS  57  -2.906   0.092   9.661
  445   2HG   LYS  57          2HG       LYS  57  -1.326  -0.273  10.395
  446   1HD   LYS  57          1HD       LYS  57  -1.573   2.303  11.165
  447   2HD   LYS  57          2HD       LYS  57  -3.296   1.870  11.057
  448   1HE   LYS  57          1HE       LYS  57  -3.111   0.207  12.716
  449   2HE   LYS  57          2HE       LYS  57  -1.370  -0.018  12.441
  450   1HZ   LYS  57          1HZ       LYS  57  -1.051   2.239  13.222
  451   2HZ   LYS  57          2HZ       LYS  57  -2.662   2.371  13.535
  452   3HZ   LYS  57          3HZ       LYS  57  -1.737   1.310  14.385
  453    H    ARG  58           H        ARG  58  -2.211  -1.833   8.245
  454    HA   ARG  58           HA       ARG  58  -0.509  -3.337   9.843
  455   1HB   ARG  58          1HB       ARG  58  -2.964  -3.723   9.488
  456   2HB   ARG  58          2HB       ARG  58  -2.594  -4.374   7.872
  457   1HG   ARG  58          1HG       ARG  58  -1.130  -6.100   8.959
  458   2HG   ARG  58          2HG       ARG  58  -1.650  -5.491  10.547
  459   1HD   ARG  58          1HD       ARG  58  -4.034  -5.904   9.057
  460   2HD   ARG  58          2HD       ARG  58  -3.019  -7.331   8.754
  461    HE   ARG  58           HE       ARG  58  -3.284  -7.955  10.932
  462   1HH1  ARG  58          1HH1      ARG  58  -4.025  -7.872  13.067
  463   2HH1  ARG  58          2HH1      ARG  58  -4.656  -6.378  13.720
  464   1HH2  ARG  58          1HH2      ARG  58  -4.176  -4.543  10.802
  465   2HH2  ARG  58          2HH2      ARG  58  -4.741  -4.513  12.453
  466    H    ALA  59           H        ALA  59  -0.972  -3.424   6.255
  467    HA   ALA  59           HA       ALA  59   0.884  -5.561   5.843
  468   1HB   ALA  59          1HB       ALA  59  -0.203  -3.417   3.999
  469   2HB   ALA  59          2HB       ALA  59   0.632  -4.910   3.500
  470   3HB   ALA  59          3HB       ALA  59  -0.945  -5.002   4.325
  471    H    VAL  60           H        VAL  60   1.166  -1.950   5.525
  472    HA   VAL  60           HA       VAL  60   3.933  -1.927   5.013
  473    HB   VAL  60           HB       VAL  60   1.933   0.068   5.963
  474   1HG1  VAL  60          1HG1      VAL  60   4.907   0.689   5.895
  475   2HG1  VAL  60          2HG1      VAL  60   3.608   1.890   6.029
  476   3HG1  VAL  60          3HG1      VAL  60   3.868   0.724   7.339
  477   1HG2  VAL  60          1HG2      VAL  60   2.294  -0.598   3.610
  478   2HG2  VAL  60          2HG2      VAL  60   2.751   1.103   3.874
  479   3HG2  VAL  60          3HG2      VAL  60   4.011  -0.149   3.747
  480    H    ASN  61           H        ASN  61   2.197  -2.102   8.122
  481    HA   ASN  61           HA       ASN  61   4.275  -1.621   9.833
  482   1HB   ASN  61          1HB       ASN  61   1.853  -1.965  10.365
  483   2HB   ASN  61          2HB       ASN  61   2.093  -3.713  10.160
  484   2HD2  ASN  61          2HD2      ASN  61   1.408  -3.977  12.345
  485   1HD2  ASN  61          1HD2      ASN  61   2.524  -3.705  13.667
  486    H    LEU  62           H        LEU  62   3.258  -4.886   8.713
  487    HA   LEU  62           HA       LEU  62   5.425  -6.327   9.713
  488   1HB   LEU  62          1HB       LEU  62   3.482  -6.675   7.448
  489   2HB   LEU  62          2HB       LEU  62   4.761  -7.878   7.742
  490    HG   LEU  62           HG       LEU  62   2.412  -8.260   8.663
  491   1HD1  LEU  62          1HD1      LEU  62   4.328  -9.669   9.118
  492   2HD1  LEU  62          2HD1      LEU  62   4.802  -8.617  10.473
  493   3HD1  LEU  62          3HD1      LEU  62   3.291  -9.547  10.555
  494   1HD2  LEU  62          1HD2      LEU  62   1.960  -6.162   9.780
  495   2HD2  LEU  62          2HD2      LEU  62   1.881  -7.502  10.939
  496   3HD2  LEU  62          3HD2      LEU  62   3.308  -6.452  10.907
  497    H    LEU  63           H        LEU  63   5.198  -4.400   6.729
  498    HA   LEU  63           HA       LEU  63   7.799  -5.109   5.715
  499   1HB   LEU  63          1HB       LEU  63   6.576  -4.256   4.048
  500   2HB   LEU  63          2HB       LEU  63   5.677  -3.153   5.117
  501    HG   LEU  63           HG       LEU  63   8.504  -2.477   4.524
  502   1HD1  LEU  63          1HD1      LEU  63   7.688  -3.152   2.310
  503   2HD1  LEU  63          2HD1      LEU  63   6.273  -2.088   2.503
  504   3HD1  LEU  63          3HD1      LEU  63   7.904  -1.390   2.394
  505   1HD2  LEU  63          1HD2      LEU  63   7.106  -1.093   6.014
  506   2HD2  LEU  63          2HD2      LEU  63   7.558  -0.190   4.551
  507   3HD2  LEU  63          3HD2      LEU  63   5.922  -0.871   4.703
  508    H    SER  64           H        SER  64   6.595  -2.546   7.917
  509    HA   SER  64           HA       SER  64   8.848  -0.932   7.994
  510   1HB   SER  64          1HB       SER  64   6.525  -0.551   9.031
  511   2HB   SER  64          2HB       SER  64   7.105  -1.529  10.403
  512    HG   SER  64           HG       SER  64   7.439   0.744  10.726
  513    H    LEU  65           H        LEU  65   8.125  -4.009   9.730
  514    HA   LEU  65           HA       LEU  65  10.666  -3.944  11.099
  515   1HB   LEU  65          1HB       LEU  65   8.528  -6.078  10.820
  516   2HB   LEU  65          2HB       LEU  65  10.024  -6.290  11.760
  517    HG   LEU  65           HG       LEU  65   8.042  -4.030  12.209
  518   1HD1  LEU  65          1HD1      LEU  65   6.983  -6.219  12.639
  519   2HD1  LEU  65          2HD1      LEU  65   8.336  -6.669  13.706
  520   3HD1  LEU  65          3HD1      LEU  65   7.249  -5.335  14.159
  521   1HD2  LEU  65          1HD2      LEU  65  10.319  -3.558  13.036
  522   2HD2  LEU  65          2HD2      LEU  65   9.187  -3.768  14.390
  523   3HD2  LEU  65          3HD2      LEU  65  10.304  -5.081  13.956
  524    H    ARG  66           H        ARG  66   9.501  -5.172   8.035
  525    HA   ARG  66           HA       ARG  66  11.675  -7.000   7.523
  526   1HB   ARG  66          1HB       ARG  66   9.160  -6.759   6.609
  527   2HB   ARG  66          2HB       ARG  66   9.997  -5.823   5.348
  528   1HG   ARG  66          1HG       ARG  66   9.897  -7.993   4.479
  529   2HG   ARG  66          2HG       ARG  66  11.547  -7.876   5.140
  530   1HD   ARG  66          1HD       ARG  66  11.076  -9.279   6.932
  531   2HD   ARG  66          2HD       ARG  66   9.357  -8.834   6.966
  532    HE   ARG  66           HE       ARG  66   9.674 -10.067   4.543
  533   1HH1  ARG  66          1HH1      ARG  66   9.288 -12.268   4.119
  534   2HH1  ARG  66          2HH1      ARG  66   9.393 -13.436   5.416
  535   1HH2  ARG  66          1HH2      ARG  66  10.281 -11.097   7.861
  536   2HH2  ARG  66          2HH2      ARG  66   9.952 -12.779   7.525
  537    H    VAL  67           H        VAL  67  10.671  -3.949   5.850
  538    HA   VAL  67           HA       VAL  67  13.420  -3.483   4.880
  539    HB   VAL  67           HB       VAL  67  10.793  -2.143   4.141
  540   1HG1  VAL  67          1HG1      VAL  67  12.801  -0.776   3.644
  541   2HG1  VAL  67          2HG1      VAL  67  13.500  -2.140   2.737
  542   3HG1  VAL  67          3HG1      VAL  67  12.034  -1.333   2.143
  543   1HG2  VAL  67          1HG2      VAL  67  10.774  -4.531   3.453
  544   2HG2  VAL  67          2HG2      VAL  67  10.883  -3.471   2.031
  545   3HG2  VAL  67          3HG2      VAL  67  12.334  -4.304   2.627
  546    H    LYS  68           H        LYS  68  13.078  -3.259   7.655
  547    HA   LYS  68           HA       LYS  68  12.477  -0.594   8.495
  548   1HB   LYS  68          1HB       LYS  68  12.718  -2.807   9.905
  549   2HB   LYS  68          2HB       LYS  68  14.435  -2.343   9.976
  550   1HG   LYS  68          1HG       LYS  68  14.036  -0.645  11.423
  551   2HG   LYS  68          2HG       LYS  68  12.594  -0.106  10.530
  552   1HD   LYS  68          1HD       LYS  68  11.219  -1.789  11.624
  553   2HD   LYS  68          2HD       LYS  68  12.648  -2.504  12.409
  554   1HE   LYS  68          1HE       LYS  68  12.351  -1.141  14.149
  555   2HE   LYS  68          2HE       LYS  68  12.634   0.253  13.085
  556   1HZ   LYS  68          1HZ       LYS  68  10.043  -1.022  13.564
  557   2HZ   LYS  68          2HZ       LYS  68  10.559   0.365  14.243
  558   3HZ   LYS  68          3HZ       LYS  68  10.303   0.308  12.627
  559    H    LYS  69           H        LYS  69  13.743   1.129   8.863
  560    HA   LYS  69           HA       LYS  69  16.531   1.006   7.862
  561   1HB   LYS  69          1HB       LYS  69  14.373   2.305   6.628
  562   2HB   LYS  69          2HB       LYS  69  15.306   3.598   7.421
  563   1HG   LYS  69          1HG       LYS  69  16.600   1.446   5.704
  564   2HG   LYS  69          2HG       LYS  69  16.028   2.994   5.040
  565   1HD   LYS  69          1HD       LYS  69  17.637   4.241   6.189
  566   2HD   LYS  69          2HD       LYS  69  17.853   2.997   7.444
  567   1HE   LYS  69          1HE       LYS  69  19.835   2.832   6.238
  568   2HE   LYS  69          2HE       LYS  69  18.838   1.560   5.500
  569   1HZ   LYS  69          1HZ       LYS  69  18.325   3.110   3.734
  570   2HZ   LYS  69          2HZ       LYS  69  19.279   4.253   4.442
  571   3HZ   LYS  69          3HZ       LYS  69  19.934   2.863   3.882
  572    H    MET  70           H        MET  70  15.941   0.563  10.477
  573    HA   MET  70           HA       MET  70  16.735   3.065  11.853
  574   1HB   MET  70          1HB       MET  70  14.537   1.883  12.446
  575   2HB   MET  70          2HB       MET  70  15.556   0.611  13.160
  576   1HG   MET  70          1HG       MET  70  16.546   2.186  14.692
  577   2HG   MET  70          2HG       MET  70  15.712   3.540  13.912
  578   1HE   MET  70          1HE       MET  70  15.645   0.902  16.661
  579   2HE   MET  70          2HE       MET  70  13.923   0.534  16.918
  580   3HE   MET  70          3HE       MET  70  14.738  -0.019  15.438

  No H/Q in entry =         580
  Start of MODEL    8
    1    H1   ALA   1           H1       ALA   1 -14.468  18.078 -11.910
    2    H2   ALA   1           H2       ALA   1 -15.154  17.800 -10.451
    3    H3   ALA   1           H3       ALA   1 -14.994  19.332 -11.003
    4    HA   ALA   1           HA       ALA   1 -12.600  19.154 -10.922
    5   1HB   ALA   1          1HB       ALA   1 -12.444  19.210  -8.467
    6   2HB   ALA   1          2HB       ALA   1 -14.074  18.495  -8.337
    7   3HB   ALA   1          3HB       ALA   1 -13.867  20.116  -9.046
    8    H    SER   2           H        SER   2 -11.637  17.456  -8.584
    9    HA   SER   2           HA       SER   2 -11.812  14.775  -8.793
   10   1HB   SER   2          1HB       SER   2 -10.103  15.771 -11.007
   11   2HB   SER   2          2HB       SER   2  -9.367  14.513  -9.985
   12    HG   SER   2           HG       SER   2 -10.825  13.862 -11.879
   13    H    ASN   3           H        ASN   3 -10.079  13.654  -7.692
   14    HA   ASN   3           HA       ASN   3  -8.623  15.417  -5.822
   15   1HB   ASN   3          1HB       ASN   3 -10.260  13.292  -5.384
   16   2HB   ASN   3          2HB       ASN   3  -8.696  12.455  -5.493
   17   2HD2  ASN   3          2HD2      ASN   3  -7.389  12.492  -3.698
   18   1HD2  ASN   3          1HD2      ASN   3  -7.593  13.562  -2.318
   19    H    TYR   4           H        TYR   4  -6.615  13.551  -5.104
   20    HA   TYR   4           HA       TYR   4  -4.738  13.805  -7.286
   21   1HB   TYR   4          1HB       TYR   4  -4.598  12.892  -4.408
   22   2HB   TYR   4          2HB       TYR   4  -3.238  12.638  -5.513
   23    HD1  TYR   4           HD1      TYR   4  -4.311  14.736  -3.027
   24    HD2  TYR   4           HD2      TYR   4  -2.974  14.942  -7.143
   25    HE1  TYR   4           HE1      TYR   4  -3.331  17.002  -2.592
   26    HE2  TYR   4           HE2      TYR   4  -2.082  17.254  -6.726
   27    HH   TYR   4           HH       TYR   4  -1.389  18.646  -5.136
   28    H    ASP   5           H        ASP   5  -5.868  12.514  -8.796
   29    HA   ASP   5           HA       ASP   5  -5.836   9.601  -8.387
   30   1HB   ASP   5          1HB       ASP   5  -6.788   9.567 -10.712
   31   2HB   ASP   5          2HB       ASP   5  -7.774  10.386  -9.483
   32    HD2  ASP   5           HD2      ASP   5  -8.017  13.057 -11.522
   33    H    CYS   6           H        CYS   6  -3.364  10.689  -8.118
   34    HA   CYS   6           HA       CYS   6  -1.717  11.004 -10.289
   35   1HB   CYS   6          1HB       CYS   6   0.032  10.326  -8.578
   36   2HB   CYS   6          2HB       CYS   6  -1.003  11.743  -8.271
   37    H    CYS   7           H        CYS   7  -1.232   8.001  -8.337
   38    HA   CYS   7           HA       CYS   7  -0.329   6.366 -10.415
   39   1HB   CYS   7          1HB       CYS   7  -0.756   4.570  -8.940
   40   2HB   CYS   7          2HB       CYS   7  -0.383   5.962  -7.897
   41    H    LEU   8           H        LEU   8  -1.682   4.389 -11.290
   42    HA   LEU   8           HA       LEU   8  -3.489   5.060 -13.084
   43   1HB   LEU   8          1HB       LEU   8  -4.340   2.757 -13.115
   44   2HB   LEU   8          2HB       LEU   8  -2.566   2.857 -13.025
   45    HG   LEU   8           HG       LEU   8  -3.989   2.631 -10.430
   46   1HD1  LEU   8          1HD1      LEU   8  -5.349   1.139 -11.817
   47   2HD1  LEU   8          2HD1      LEU   8  -3.881   0.291 -12.362
   48   3HD1  LEU   8          3HD1      LEU   8  -4.374   0.211 -10.655
   49   1HD2  LEU   8          1HD2      LEU   8  -1.552   2.654 -10.548
   50   2HD2  LEU   8          2HD2      LEU   8  -2.139   1.108  -9.896
   51   3HD2  LEU   8          3HD2      LEU   8  -1.578   1.204 -11.581
   52    H    SER   9           H        SER   9  -4.292   4.581  -9.761
   53    HA   SER   9           HA       SER   9  -6.255   6.290  -9.405
   54   1HB   SER   9          1HB       SER   9  -7.508   3.849 -10.517
   55   2HB   SER   9          2HB       SER   9  -8.211   4.449  -8.995
   56    HG   SER   9           HG       SER   9  -8.812   5.373 -11.309
   57    H    TYR  10           H        TYR  10  -6.722   6.410  -7.231
   58    HA   TYR  10           HA       TYR  10  -5.388   5.076  -5.222
   59   1HB   TYR  10          1HB       TYR  10  -6.788   7.150  -5.051
   60   2HB   TYR  10          2HB       TYR  10  -8.241   6.143  -5.168
   61    HD1  TYR  10           HD1      TYR  10  -5.156   6.684  -3.097
   62    HD2  TYR  10           HD2      TYR  10  -9.256   5.283  -3.217
   63    HE1  TYR  10           HE1      TYR  10  -5.124   6.330  -0.619
   64    HE2  TYR  10           HE2      TYR  10  -9.219   4.939  -0.749
   65    HH   TYR  10           HH       TYR  10  -7.991   5.103   1.121
   66    H    ILE  11           H        ILE  11  -6.313   3.607  -3.538
   67    HA   ILE  11           HA       ILE  11  -7.312   1.225  -4.694
   68    HB   ILE  11           HB       ILE  11  -5.763   1.328  -2.802
   69   1HG1  ILE  11          1HG1      ILE  11  -6.545  -0.654  -1.758
   70   2HG1  ILE  11          2HG1      ILE  11  -8.242  -0.253  -2.115
   71   1HG2  ILE  11          1HG2      ILE  11  -6.831   3.033  -1.392
   72   2HG2  ILE  11          2HG2      ILE  11  -8.214   1.947  -1.116
   73   3HG2  ILE  11          3HG2      ILE  11  -6.611   1.524  -0.484
   74   1HD1  ILE  11          1HD1      ILE  11  -6.116  -0.966  -4.158
   75   2HD1  ILE  11          2HD1      ILE  11  -7.418  -2.040  -3.605
   76   3HD1  ILE  11          3HD1      ILE  11  -7.813  -0.568  -4.514
   77    H    GLN  12           H        GLN  12  -9.095   1.773  -5.795
   78    HA   GLN  12           HA       GLN  12 -11.476   2.761  -4.769
   79   1HB   GLN  12          1HB       GLN  12 -10.512   1.397  -7.133
   80   2HB   GLN  12          2HB       GLN  12 -12.150   0.841  -6.710
   81   1HG   GLN  12          1HG       GLN  12 -11.654   3.778  -6.540
   82   2HG   GLN  12          2HG       GLN  12 -11.654   3.073  -8.171
   83   2HE2  GLN  12          2HE2      GLN  12 -13.532   4.943  -7.595
   84   1HE2  GLN  12          1HE2      GLN  12 -15.118   4.203  -7.516
   85    H    THR  13           H        THR  13  -9.952  -0.196  -4.036
   86    HA   THR  13           HA       THR  13 -12.068  -0.985  -2.280
   87    HB   THR  13           HB       THR  13 -11.666  -2.417  -4.799
   88    HG1  THR  13           HG1      THR  13 -13.939  -2.775  -4.227
   89   1HG2  THR  13          1HG2      THR  13 -12.220  -4.040  -2.293
   90   2HG2  THR  13          2HG2      THR  13 -12.425  -4.619  -3.957
   91   3HG2  THR  13          3HG2      THR  13 -10.806  -4.213  -3.359
   92    HA   PRO  14           HA       PRO  14  -8.271  -1.790  -0.156
   93   1HB   PRO  14          1HB       PRO  14  -9.505  -1.850   2.360
   94   2HB   PRO  14          2HB       PRO  14  -8.824  -0.412   1.532
   95   1HG   PRO  14          1HG       PRO  14 -11.651  -1.221   1.850
   96   2HG   PRO  14          2HG       PRO  14 -10.948   0.425   1.735
   97   1HD   PRO  14          1HD       PRO  14 -12.249  -0.937  -0.345
   98   2HD   PRO  14          2HD       PRO  14 -11.057   0.376  -0.585
   99    H    LEU  15           H        LEU  15  -7.460  -3.793  -0.326
  100    HA   LEU  15           HA       LEU  15  -9.229  -6.037   0.346
  101   1HB   LEU  15          1HB       LEU  15  -7.480  -7.337  -0.970
  102   2HB   LEU  15          2HB       LEU  15  -8.583  -6.249  -1.847
  103    HG   LEU  15           HG       LEU  15  -5.961  -5.096  -1.024
  104   1HD1  LEU  15          1HD1      LEU  15  -5.423  -7.416  -1.701
  105   2HD1  LEU  15          2HD1      LEU  15  -6.340  -7.186  -3.209
  106   3HD1  LEU  15          3HD1      LEU  15  -4.860  -6.239  -2.915
  107   1HD2  LEU  15          1HD2      LEU  15  -7.558  -5.091  -3.619
  108   2HD2  LEU  15          2HD2      LEU  15  -7.586  -3.812  -2.381
  109   3HD2  LEU  15          3HD2      LEU  15  -6.096  -4.131  -3.297
  110    HA   PRO  16           HA       PRO  16  -6.930  -6.992   3.963
  111   1HB   PRO  16          1HB       PRO  16  -6.921  -9.720   4.157
  112   2HB   PRO  16          2HB       PRO  16  -8.402  -8.724   4.335
  113   1HG   PRO  16          1HG       PRO  16  -7.447 -10.206   1.893
  114   2HG   PRO  16          2HG       PRO  16  -9.087 -10.214   2.620
  115   1HD   PRO  16          1HD       PRO  16  -8.421  -8.618   0.477
  116   2HD   PRO  16          2HD       PRO  16  -9.564  -8.064   1.739
  117    H    SER  17           H        SER  17  -4.834  -7.558   4.811
  118    HA   SER  17           HA       SER  17  -2.746  -7.551   2.900
  119   1HB   SER  17          1HB       SER  17  -1.205  -7.614   4.708
  120   2HB   SER  17          2HB       SER  17  -2.581  -6.619   5.237
  121    HG   SER  17           HG       SER  17  -1.693  -8.346   6.747
  122    H    ARG  18           H        ARG  18  -4.674 -10.076   3.878
  123    HA   ARG  18           HA       ARG  18  -2.803 -12.278   3.733
  124   1HB   ARG  18          1HB       ARG  18  -5.673 -11.846   4.290
  125   2HB   ARG  18          2HB       ARG  18  -5.313 -13.348   3.405
  126   1HG   ARG  18          1HG       ARG  18  -3.335 -13.536   5.168
  127   2HG   ARG  18          2HG       ARG  18  -4.380 -12.463   6.131
  128   1HD   ARG  18          1HD       ARG  18  -6.173 -14.038   6.144
  129   2HD   ARG  18          2HD       ARG  18  -5.474 -14.973   4.804
  130    HE   ARG  18           HE       ARG  18  -3.531 -15.111   6.684
  131   1HH1  ARG  18          1HH1      ARG  18  -3.304 -16.697   8.300
  132   2HH1  ARG  18          2HH1      ARG  18  -4.714 -17.544   8.892
  133   1HH2  ARG  18          1HH2      ARG  18  -6.977 -15.841   6.846
  134   2HH2  ARG  18          2HH2      ARG  18  -6.779 -17.065   8.077
  135    H    ALA  19           H        ALA  19  -3.763 -10.216   1.404
  136    HA   ALA  19           HA       ALA  19  -3.659 -12.291  -0.722
  137   1HB   ALA  19          1HB       ALA  19  -5.113 -10.800  -2.061
  138   2HB   ALA  19          2HB       ALA  19  -5.914 -11.289  -0.548
  139   3HB   ALA  19          3HB       ALA  19  -5.209  -9.661  -0.695
  140    H    ILE  20           H        ILE  20  -1.718 -10.110   0.801
  141    HA   ILE  20           HA       ILE  20  -0.797  -8.681  -1.596
  142    HB   ILE  20           HB       ILE  20  -0.615  -8.247   1.387
  143   1HG1  ILE  20          1HG1      ILE  20  -1.409  -6.003   0.793
  144   2HG1  ILE  20          2HG1      ILE  20  -1.413  -6.465  -0.926
  145   1HG2  ILE  20          1HG2      ILE  20   1.653  -7.859   0.479
  146   2HG2  ILE  20          2HG2      ILE  20   0.971  -6.766  -0.750
  147   3HG2  ILE  20          3HG2      ILE  20   0.900  -6.326   0.970
  148   1HD1  ILE  20          1HD1      ILE  20  -3.266  -7.520   1.206
  149   2HD1  ILE  20          2HD1      ILE  20  -3.701  -6.332  -0.032
  150   3HD1  ILE  20          3HD1      ILE  20  -3.271  -7.980  -0.514
  151    H    VAL  21           H        VAL  21   0.747  -9.542  -2.693
  152    HA   VAL  21           HA       VAL  21   2.522 -11.506  -1.450
  153    HB   VAL  21           HB       VAL  21   1.268 -11.265  -3.903
  154   1HG1  VAL  21          1HG1      VAL  21   3.057  -9.926  -4.903
  155   2HG1  VAL  21          2HG1      VAL  21   4.254 -11.149  -4.414
  156   3HG1  VAL  21          3HG1      VAL  21   3.021 -11.545  -5.624
  157   1HG2  VAL  21          1HG2      VAL  21   1.760 -13.271  -2.571
  158   2HG2  VAL  21          2HG2      VAL  21   2.306 -13.481  -4.250
  159   3HG2  VAL  21          3HG2      VAL  21   3.487 -13.122  -2.971
  160    H    GLY  22           H        GLY  22   2.787  -8.329  -3.079
  161   1HA   GLY  22          1HA       GLY  22   5.393  -7.873  -3.384
  162   2HA   GLY  22          2HA       GLY  22   5.244  -7.719  -1.618
  163    H    PHE  23           H        PHE  23   5.273  -5.598  -1.208
  164    HA   PHE  23           HA       PHE  23   3.811  -3.737  -2.924
  165   1HB   PHE  23          1HB       PHE  23   2.753  -2.749  -0.946
  166   2HB   PHE  23          2HB       PHE  23   2.240  -4.422  -1.221
  167    HD1  PHE  23           HD1      PHE  23   3.723  -6.248   0.081
  168    HD2  PHE  23           HD2      PHE  23   3.197  -2.099   1.201
  169    HE1  PHE  23           HE1      PHE  23   4.481  -6.809   2.399
  170    HE2  PHE  23           HE2      PHE  23   3.846  -2.681   3.546
  171    HZ   PHE  23           HZ       PHE  23   4.533  -5.000   4.094
  172    H    THR  24           H        THR  24   4.066  -1.453  -1.954
  173    HA   THR  24           HA       THR  24   6.745  -0.921  -0.887
  174    HB   THR  24           HB       THR  24   6.048   0.409  -3.474
  175    HG1  THR  24           HG1      THR  24   7.282  -1.498  -4.503
  176   1HG2  THR  24          1HG2      THR  24   8.083   0.991  -2.190
  177   2HG2  THR  24          2HG2      THR  24   8.628  -0.701  -2.286
  178   3HG2  THR  24          3HG2      THR  24   8.510   0.281  -3.763
  179    H    ARG  25           H        ARG  25   7.071   1.436  -0.702
  180    HA   ARG  25           HA       ARG  25   4.617   2.683   0.358
  181   1HB   ARG  25          1HB       ARG  25   7.341   3.862   0.735
  182   2HB   ARG  25          2HB       ARG  25   5.966   3.783   1.863
  183   1HG   ARG  25          1HG       ARG  25   6.448   1.345   2.186
  184   2HG   ARG  25          2HG       ARG  25   7.901   1.542   1.177
  185   1HD   ARG  25          1HD       ARG  25   7.322   2.739   3.896
  186   2HD   ARG  25          2HD       ARG  25   8.650   1.656   3.425
  187    HE   ARG  25           HE       ARG  25   9.076   3.806   1.847
  188   1HH1  ARG  25          1HH1      ARG  25  10.201   5.719   2.342
  189   2HH1  ARG  25          2HH1      ARG  25  10.311   6.258   4.003
  190   1HH2  ARG  25          1HH2      ARG  25   8.484   3.578   5.302
  191   2HH2  ARG  25          2HH2      ARG  25   9.345   5.053   5.668
  192    H    GLN  26           H        GLN  26   3.947   4.724  -0.325
  193    HA   GLN  26           HA       GLN  26   5.557   6.049  -2.443
  194   1HB   GLN  26          1HB       GLN  26   3.539   4.688  -3.274
  195   2HB   GLN  26          2HB       GLN  26   2.528   5.867  -2.404
  196   1HG   GLN  26          1HG       GLN  26   3.506   7.690  -3.778
  197   2HG   GLN  26          2HG       GLN  26   4.463   6.485  -4.669
  198   2HE2  GLN  26          2HE2      GLN  26   1.056   6.829  -3.557
  199   1HE2  GLN  26          1HE2      GLN  26   0.323   6.423  -5.098
  200    H    MET  27           H        MET  27   6.195   7.824  -1.629
  201    HA   MET  27           HA       MET  27   4.959   9.263   0.528
  202   1HB   MET  27          1HB       MET  27   6.733  10.874   0.117
  203   2HB   MET  27          2HB       MET  27   7.379   9.216   0.096
  204   1HG   MET  27          1HG       MET  27   7.565   9.228  -2.290
  205   2HG   MET  27          2HG       MET  27   6.634  10.729  -2.424
  206   1HE   MET  27          1HE       MET  27   9.879   9.383  -3.004
  207   2HE   MET  27          2HE       MET  27  11.086  10.264  -2.034
  208   3HE   MET  27          3HE       MET  27   9.987   9.101  -1.250
  209    H    ALA  28           H        ALA  28   4.924  11.833   0.004
  210    HA   ALA  28           HA       ALA  28   2.928  12.268  -2.141
  211   1HB   ALA  28          1HB       ALA  28   3.284  13.554   0.608
  212   2HB   ALA  28          2HB       ALA  28   2.035  12.363   0.173
  213   3HB   ALA  28          3HB       ALA  28   2.032  13.974  -0.588
  214    H    ASP  29           H        ASP  29   4.380  12.920  -3.736
  215    HA   ASP  29           HA       ASP  29   5.257  15.479  -3.921
  216   1HB   ASP  29          1HB       ASP  29   7.242  13.918  -2.472
  217   2HB   ASP  29          2HB       ASP  29   7.895  14.566  -3.993
  218    HD2  ASP  29           HD2      ASP  29   8.544  17.121  -1.688
  219    H    GLU  30           H        GLU  30   6.409  12.197  -4.706
  220    HA   GLU  30           HA       GLU  30   7.471  12.777  -7.255
  221   1HB   GLU  30          1HB       GLU  30   7.642  10.748  -5.509
  222   2HB   GLU  30          2HB       GLU  30   6.388  10.067  -6.572
  223   1HG   GLU  30          1HG       GLU  30   8.262   9.301  -7.681
  224   2HG   GLU  30          2HG       GLU  30   8.081  10.876  -8.482
  225    H    ALA  31           H        ALA  31   6.007  10.455  -8.641
  226    HA   ALA  31           HA       ALA  31   4.106  11.726 -10.174
  227   1HB   ALA  31          1HB       ALA  31   3.367   9.448 -10.771
  228   2HB   ALA  31          2HB       ALA  31   5.141   9.552 -10.691
  229   3HB   ALA  31          3HB       ALA  31   4.232   8.797  -9.360
  230    H    CYS  32           H        CYS  32   3.767  10.605  -6.888
  231    HA   CYS  32           HA       CYS  32   0.912  11.217  -6.940
  232   1HB   CYS  32          1HB       CYS  32   2.375   9.140  -5.425
  233   2HB   CYS  32          2HB       CYS  32   1.149  10.076  -4.535
  234    H    ASP  33           H        ASP  33   0.152  12.719  -5.658
  235    HA   ASP  33           HA       ASP  33   2.108  14.318  -4.108
  236   1HB   ASP  33          1HB       ASP  33   0.641  15.249  -5.951
  237   2HB   ASP  33          2HB       ASP  33  -0.743  14.953  -4.876
  238    HD2  ASP  33           HD2      ASP  33   1.116  18.269  -4.542
  239    H    ILE  34           H        ILE  34   0.046  11.758  -3.532
  240    HA   ILE  34           HA       ILE  34  -0.317  12.569  -0.744
  241    HB   ILE  34           HB       ILE  34  -2.340  11.163  -0.607
  242   1HG1  ILE  34          1HG1      ILE  34  -2.183  11.158  -3.615
  243   2HG1  ILE  34          2HG1      ILE  34  -2.044   9.762  -2.520
  244   1HG2  ILE  34          1HG2      ILE  34  -2.400  13.596  -0.635
  245   2HG2  ILE  34          2HG2      ILE  34  -2.489  13.591  -2.413
  246   3HG2  ILE  34          3HG2      ILE  34  -3.828  12.913  -1.454
  247   1HD1  ILE  34          1HD1      ILE  34  -4.546  11.428  -2.968
  248   2HD1  ILE  34          2HD1      ILE  34  -4.262   9.807  -3.629
  249   3HD1  ILE  34          3HD1      ILE  34  -4.407  10.031  -1.875
  250    H    ASN  35           H        ASN  35  -0.214  10.846   0.713
  251    HA   ASN  35           HA       ASN  35   1.824   8.908   0.075
  252   1HB   ASN  35          1HB       ASN  35  -0.031   9.165   2.473
  253   2HB   ASN  35          2HB       ASN  35   1.491   8.247   2.395
  254   2HD2  ASN  35          2HD2      ASN  35   3.452   9.315   2.594
  255   1HD2  ASN  35          1HD2      ASN  35   3.577  11.012   3.018
  256    H    ALA  36           H        ALA  36   1.501   6.925  -0.741
  257    HA   ALA  36           HA       ALA  36  -1.006   5.542  -0.257
  258   1HB   ALA  36          1HB       ALA  36  -1.367   4.855  -2.587
  259   2HB   ALA  36          2HB       ALA  36  -0.032   5.909  -3.101
  260   3HB   ALA  36          3HB       ALA  36  -1.502   6.617  -2.389
  261    H    ILE  37           H        ILE  37  -0.866   3.219  -0.612
  262    HA   ILE  37           HA       ILE  37   1.928   2.264  -0.598
  263    HB   ILE  37           HB       ILE  37  -0.517   0.987   0.668
  264   1HG1  ILE  37          1HG1      ILE  37   1.552   2.932   1.472
  265   2HG1  ILE  37          2HG1      ILE  37  -0.142   2.760   1.991
  266   1HG2  ILE  37          1HG2      ILE  37   1.065  -0.698  -0.133
  267   2HG2  ILE  37          2HG2      ILE  37   2.396   0.127   0.711
  268   3HG2  ILE  37          3HG2      ILE  37   1.072  -0.610   1.645
  269   1HD1  ILE  37          1HD1      ILE  37   2.200   1.154   3.003
  270   2HD1  ILE  37          2HD1      ILE  37   1.401   2.470   3.877
  271   3HD1  ILE  37          3HD1      ILE  37   0.506   0.982   3.522
  272    H    ILE  38           H        ILE  38   2.506   1.465  -2.320
  273    HA   ILE  38           HA       ILE  38   0.743   0.501  -4.426
  274    HB   ILE  38           HB       ILE  38   3.561   1.264  -4.006
  275   1HG1  ILE  38          1HG1      ILE  38   2.472   1.741  -6.631
  276   2HG1  ILE  38          2HG1      ILE  38   1.221   2.105  -5.418
  277   1HG2  ILE  38          1HG2      ILE  38   3.946  -0.947  -4.985
  278   2HG2  ILE  38          2HG2      ILE  38   2.824  -0.557  -6.311
  279   3HG2  ILE  38          3HG2      ILE  38   4.353   0.328  -6.149
  280   1HD1  ILE  38          1HD1      ILE  38   4.103   3.086  -5.349
  281   2HD1  ILE  38          2HD1      ILE  38   2.678   4.055  -5.805
  282   3HD1  ILE  38          3HD1      ILE  38   2.850   3.449  -4.137
  283    H    PHE  39           H        PHE  39  -0.283  -1.318  -3.855
  284    HA   PHE  39           HA       PHE  39   1.204  -3.613  -2.774
  285   1HB   PHE  39          1HB       PHE  39  -1.732  -2.998  -3.191
  286   2HB   PHE  39          2HB       PHE  39  -1.149  -4.604  -2.724
  287    HD1  PHE  39           HD1      PHE  39   0.462  -4.712  -0.755
  288    HD2  PHE  39           HD2      PHE  39  -2.205  -1.380  -1.394
  289    HE1  PHE  39           HE1      PHE  39   0.369  -4.333   1.699
  290    HE2  PHE  39           HE2      PHE  39  -2.277  -0.983   1.066
  291    HZ   PHE  39           HZ       PHE  39  -1.050  -2.492   2.603
  292    H    HIS  40           H        HIS  40   1.494  -5.545  -3.851
  293    HA   HIS  40           HA       HIS  40   0.466  -5.815  -6.626
  294   1HB   HIS  40          1HB       HIS  40   3.150  -6.825  -5.645
  295   2HB   HIS  40          2HB       HIS  40   2.575  -6.656  -7.315
  296    HD1  HIS  40           HD1      HIS  40   2.107  -3.890  -7.881
  297    HD2  HIS  40           HD2      HIS  40   4.656  -4.907  -4.808
  298    HE1  HIS  40           HE1      HIS  40   3.855  -2.026  -7.766
  299    HE2  HIS  40           HE2      HIS  40   5.088  -2.518  -5.577
  300    H    THR  41           H        THR  41  -1.204  -6.938  -5.465
  301    HA   THR  41           HA       THR  41  -0.776  -9.277  -3.887
  302    HB   THR  41           HB       THR  41  -3.250  -9.543  -4.454
  303    HG1  THR  41           HG1      THR  41  -4.100  -7.634  -5.661
  304   1HG2  THR  41          1HG2      THR  41  -2.277  -6.790  -3.559
  305   2HG2  THR  41          2HG2      THR  41  -3.893  -7.473  -3.252
  306   3HG2  THR  41          3HG2      THR  41  -2.457  -8.215  -2.508
  307    H    LYS  42           H        LYS  42  -1.844 -11.410  -4.668
  308    HA   LYS  42           HA       LYS  42  -0.328 -12.148  -7.064
  309   1HB   LYS  42          1HB       LYS  42  -0.403 -13.421  -4.803
  310   2HB   LYS  42          2HB       LYS  42  -1.947 -14.072  -5.405
  311   1HG   LYS  42          1HG       LYS  42  -0.210 -15.622  -6.011
  312   2HG   LYS  42          2HG       LYS  42  -0.739 -14.791  -7.493
  313   1HD   LYS  42          1HD       LYS  42   1.234 -13.143  -6.918
  314   2HD   LYS  42          2HD       LYS  42   1.834 -14.516  -5.956
  315   1HE   LYS  42          1HE       LYS  42   2.651 -15.475  -7.806
  316   2HE   LYS  42          2HE       LYS  42   1.034 -15.479  -8.544
  317   1HZ   LYS  42          1HZ       LYS  42   1.413 -13.197  -9.181
  318   2HZ   LYS  42          2HZ       LYS  42   2.921 -13.239  -8.533
  319   3HZ   LYS  42          3HZ       LYS  42   2.550 -14.169  -9.823
  320    H    LYS  43           H        LYS  43  -3.396 -10.977  -6.533
  321    HA   LYS  43           HA       LYS  43  -4.324 -11.929  -9.138
  322   1HB   LYS  43          1HB       LYS  43  -5.041 -13.484  -7.178
  323   2HB   LYS  43          2HB       LYS  43  -6.168 -12.169  -6.764
  324   1HG   LYS  43          1HG       LYS  43  -7.530 -12.627  -8.525
  325   2HG   LYS  43          2HG       LYS  43  -6.161 -12.891  -9.633
  326   1HD   LYS  43          1HD       LYS  43  -5.807 -15.123  -8.709
  327   2HD   LYS  43          2HD       LYS  43  -7.104 -14.860  -7.520
  328   1HE   LYS  43          1HE       LYS  43  -8.770 -14.713  -9.302
  329   2HE   LYS  43          2HE       LYS  43  -7.502 -14.808 -10.544
  330   1HZ   LYS  43          1HZ       LYS  43  -8.042 -16.884  -8.554
  331   2HZ   LYS  43          2HZ       LYS  43  -8.565 -16.906 -10.103
  332   3HZ   LYS  43          3HZ       LYS  43  -6.972 -16.971  -9.789
  333    H    ARG  44           H        ARG  44  -3.317  -9.404  -8.397
  334    HA   ARG  44           HA       ARG  44  -5.304  -7.718  -9.500
  335   1HB   ARG  44          1HB       ARG  44  -5.370  -7.940  -6.638
  336   2HB   ARG  44          2HB       ARG  44  -4.678  -6.356  -7.061
  337   1HG   ARG  44          1HG       ARG  44  -6.658  -5.735  -8.270
  338   2HG   ARG  44          2HG       ARG  44  -7.331  -7.377  -8.116
  339   1HD   ARG  44          1HD       ARG  44  -6.514  -5.966  -5.597
  340   2HD   ARG  44          2HD       ARG  44  -7.987  -5.394  -6.412
  341    HE   ARG  44           HE       ARG  44  -7.807  -8.289  -6.011
  342   1HH1  ARG  44          1HH1      ARG  44  -9.490  -9.230  -4.748
  343   2HH1  ARG  44          2HH1      ARG  44 -10.565  -8.205  -3.827
  344   1HH2  ARG  44          1HH2      ARG  44  -9.030  -5.226  -4.774
  345   2HH2  ARG  44          2HH2      ARG  44 -10.308  -5.965  -3.842
  346    H    LYS  45           H        LYS  45  -4.309  -6.040 -10.392
  347    HA   LYS  45           HA       LYS  45  -1.455  -5.909 -10.484
  348   1HB   LYS  45          1HB       LYS  45  -3.720  -4.265 -11.606
  349   2HB   LYS  45          2HB       LYS  45  -2.038  -3.696 -11.738
  350   1HG   LYS  45          1HG       LYS  45  -1.546  -6.113 -12.583
  351   2HG   LYS  45          2HG       LYS  45  -3.302  -6.192 -12.868
  352   1HD   LYS  45          1HD       LYS  45  -3.228  -4.378 -14.419
  353   2HD   LYS  45          2HD       LYS  45  -1.567  -3.949 -13.946
  354   1HE   LYS  45          1HE       LYS  45  -2.298  -6.606 -15.223
  355   2HE   LYS  45          2HE       LYS  45  -1.800  -5.181 -16.161
  356   1HZ   LYS  45          1HZ       LYS  45  -0.200  -6.467 -14.066
  357   2HZ   LYS  45          2HZ       LYS  45   0.013  -6.656 -15.666
  358   3HZ   LYS  45          3HZ       LYS  45   0.263  -5.202 -14.994
  359    H    SER  46           H        SER  46  -0.662  -3.314 -10.397
  360    HA   SER  46           HA       SER  46  -0.084  -2.872  -7.701
  361   1HB   SER  46          1HB       SER  46   0.241  -0.410  -8.766
  362   2HB   SER  46          2HB       SER  46   1.415  -1.738  -8.932
  363    HG   SER  46           HG       SER  46   0.890  -0.732 -10.979
  364    H    VAL  47           H        VAL  47  -1.094  -2.150  -6.106
  365    HA   VAL  47           HA       VAL  47  -3.659  -0.650  -6.454
  366    HB   VAL  47           HB       VAL  47  -2.732  -2.958  -4.856
  367   1HG1  VAL  47          1HG1      VAL  47  -3.094  -1.456  -2.987
  368   2HG1  VAL  47          2HG1      VAL  47  -4.732  -1.091  -3.579
  369   3HG1  VAL  47          3HG1      VAL  47  -4.334  -2.722  -3.009
  370   1HG2  VAL  47          1HG2      VAL  47  -4.274  -3.184  -6.721
  371   2HG2  VAL  47          2HG2      VAL  47  -5.042  -3.711  -5.207
  372   3HG2  VAL  47          3HG2      VAL  47  -5.447  -2.125  -5.900
  373    H    CYS  48           H        CYS  48  -3.667   1.414  -5.663
  374    HA   CYS  48           HA       CYS  48  -1.388   2.152  -3.932
  375   1HB   CYS  48          1HB       CYS  48  -2.831   4.428  -4.889
  376   2HB   CYS  48          2HB       CYS  48  -1.124   3.972  -5.122
  377    H    ALA  49           H        ALA  49  -2.053   1.819  -1.871
  378    HA   ALA  49           HA       ALA  49  -4.665   3.006  -1.115
  379   1HB   ALA  49          1HB       ALA  49  -4.343   0.556  -1.056
  380   2HB   ALA  49          2HB       ALA  49  -4.559   1.222   0.584
  381   3HB   ALA  49          3HB       ALA  49  -2.933   0.764   0.012
  382    H    ASP  50           H        ASP  50  -4.744   4.753   0.284
  383    HA   ASP  50           HA       ASP  50  -2.482   6.067   1.192
  384   1HB   ASP  50          1HB       ASP  50  -5.268   6.354   1.389
  385   2HB   ASP  50          2HB       ASP  50  -4.685   6.344   3.067
  386    HD2  ASP  50           HD2      ASP  50  -3.380   9.479   2.768
  387    HA   PRO  51           HA       PRO  51  -0.922   3.380   4.388
  388   1HB   PRO  51          1HB       PRO  51   1.062   5.120   5.341
  389   2HB   PRO  51          2HB       PRO  51   1.194   3.979   3.962
  390   1HG   PRO  51          1HG       PRO  51   0.879   6.894   3.929
  391   2HG   PRO  51          2HG       PRO  51   1.525   5.809   2.653
  392   1HD   PRO  51          1HD       PRO  51  -1.043   7.047   2.770
  393   2HD   PRO  51          2HD       PRO  51  -0.520   5.762   1.640
  394    H    LYS  52           H        LYS  52  -3.238   4.480   5.056
  395    HA   LYS  52           HA       LYS  52  -2.836   5.569   7.798
  396   1HB   LYS  52          1HB       LYS  52  -5.245   6.260   6.138
  397   2HB   LYS  52          2HB       LYS  52  -4.584   7.085   7.571
  398   1HG   LYS  52          1HG       LYS  52  -3.629   7.204   4.716
  399   2HG   LYS  52          2HG       LYS  52  -4.250   8.521   5.739
  400   1HD   LYS  52          1HD       LYS  52  -1.903   7.454   6.970
  401   2HD   LYS  52          2HD       LYS  52  -1.556   7.753   5.250
  402   1HE   LYS  52          1HE       LYS  52  -0.987   9.747   6.483
  403   2HE   LYS  52          2HE       LYS  52  -2.468  10.089   5.564
  404   1HZ   LYS  52          1HZ       LYS  52  -3.724   9.516   7.524
  405   2HZ   LYS  52          2HZ       LYS  52  -2.343   9.243   8.362
  406   3HZ   LYS  52          3HZ       LYS  52  -2.687  10.749   7.828
  407    H    GLN  53           H        GLN  53  -5.030   3.817   5.551
  408    HA   GLN  53           HA       GLN  53  -6.966   2.837   7.286
  409   1HB   GLN  53          1HB       GLN  53  -5.595   1.428   4.951
  410   2HB   GLN  53          2HB       GLN  53  -7.222   1.082   5.591
  411   1HG   GLN  53          1HG       GLN  53  -7.023   3.877   4.894
  412   2HG   GLN  53          2HG       GLN  53  -6.499   2.881   3.519
  413   2HE2  GLN  53          2HE2      GLN  53  -8.169   3.046   2.165
  414   1HE2  GLN  53          1HE2      GLN  53  -9.804   2.530   2.521
  415    H    ASN  54           H        ASN  54  -7.188   0.631   8.160
  416    HA   ASN  54           HA       ASN  54  -4.938  -0.116   9.733
  417   1HB   ASN  54          1HB       ASN  54  -7.753  -0.561   9.692
  418   2HB   ASN  54          2HB       ASN  54  -6.953  -2.147   9.756
  419   2HD2  ASN  54          2HD2      ASN  54  -8.244  -1.917  11.849
  420   1HD2  ASN  54          1HD2      ASN  54  -7.343  -1.355  13.239
  421    H    TRP  55           H        TRP  55  -6.747  -1.979   7.183
  422    HA   TRP  55           HA       TRP  55  -5.120  -4.184   7.032
  423   1HB   TRP  55          1HB       TRP  55  -6.054  -4.502   4.825
  424   2HB   TRP  55          2HB       TRP  55  -7.298  -3.810   5.875
  425    HD1  TRP  55           HD1      TRP  55  -8.016  -1.245   5.369
  426    HE1  TRP  55           HE1      TRP  55  -7.833   0.191   3.295
  427    HE3  TRP  55           HE3      TRP  55  -4.552  -4.000   2.912
  428    HZ2  TRP  55           HZ2      TRP  55  -6.604  -0.015   0.724
  429    HZ3  TRP  55           HZ3      TRP  55  -4.168  -3.561   0.490
  430    HH2  TRP  55           HH2      TRP  55  -5.226  -1.604  -0.608
  431    H    VAL  56           H        VAL  56  -4.734  -1.122   5.236
  432    HA   VAL  56           HA       VAL  56  -2.340  -1.599   3.872
  433    HB   VAL  56           HB       VAL  56  -3.731   0.852   4.988
  434   1HG1  VAL  56          1HG1      VAL  56  -1.275   0.829   3.196
  435   2HG1  VAL  56          2HG1      VAL  56  -2.228   2.266   3.610
  436   3HG1  VAL  56          3HG1      VAL  56  -1.318   1.418   4.875
  437   1HG2  VAL  56          1HG2      VAL  56  -4.641  -0.316   2.981
  438   2HG2  VAL  56          2HG2      VAL  56  -4.036   1.302   2.560
  439   3HG2  VAL  56          3HG2      VAL  56  -3.062  -0.136   2.180
  440    H    LYS  57           H        LYS  57  -2.971  -0.354   7.173
  441    HA   LYS  57           HA       LYS  57  -0.309   0.192   7.859
  442   1HB   LYS  57          1HB       LYS  57  -2.937   0.135   9.139
  443   2HB   LYS  57          2HB       LYS  57  -1.634  -0.402  10.227
  444   1HG   LYS  57          1HG       LYS  57  -0.837   1.920   8.632
  445   2HG   LYS  57          2HG       LYS  57  -2.300   2.249   9.592
  446   1HD   LYS  57          1HD       LYS  57  -0.246   2.855  10.808
  447   2HD   LYS  57          2HD       LYS  57  -1.156   1.565  11.632
  448   1HE   LYS  57          1HE       LYS  57   0.725   0.352  11.725
  449   2HE   LYS  57          2HE       LYS  57   0.728   0.265   9.950
  450   1HZ   LYS  57          1HZ       LYS  57   1.894   2.388   9.980
  451   2HZ   LYS  57          2HZ       LYS  57   1.980   2.289  11.613
  452   3HZ   LYS  57          3HZ       LYS  57   2.726   1.170  10.679
  453    H    ARG  58           H        ARG  58  -2.331  -2.761   8.499
  454    HA   ARG  58           HA       ARG  58  -0.405  -4.263   9.813
  455   1HB   ARG  58          1HB       ARG  58  -2.938  -4.689   8.554
  456   2HB   ARG  58          2HB       ARG  58  -1.835  -5.969   7.996
  457   1HG   ARG  58          1HG       ARG  58  -1.172  -6.164  10.516
  458   2HG   ARG  58          2HG       ARG  58  -2.699  -5.297  10.813
  459   1HD   ARG  58          1HD       ARG  58  -3.538  -7.129   8.980
  460   2HD   ARG  58          2HD       ARG  58  -2.238  -8.053   9.761
  461    HE   ARG  58           HE       ARG  58  -4.010  -6.678  11.610
  462   1HH1  ARG  58          1HH1      ARG  58  -5.425  -7.894  12.913
  463   2HH1  ARG  58          2HH1      ARG  58  -5.617  -9.608  12.634
  464   1HH2  ARG  58          1HH2      ARG  58  -3.427  -9.731   9.932
  465   2HH2  ARG  58          2HH2      ARG  58  -4.501 -10.636  10.967
  466    H    ALA  59           H        ALA  59  -0.905  -3.921   6.254
  467    HA   ALA  59           HA       ALA  59   1.185  -5.718   5.534
  468   1HB   ALA  59          1HB       ALA  59  -0.134  -3.405   4.079
  469   2HB   ALA  59          2HB       ALA  59   0.859  -4.686   3.338
  470   3HB   ALA  59          3HB       ALA  59  -0.700  -5.093   4.102
  471    H    VAL  60           H        VAL  60   1.053  -2.114   5.976
  472    HA   VAL  60           HA       VAL  60   3.809  -1.744   5.458
  473    HB   VAL  60           HB       VAL  60   1.607  -0.085   6.038
  474   1HG1  VAL  60          1HG1      VAL  60   4.031   0.688   7.700
  475   2HG1  VAL  60          2HG1      VAL  60   2.659   1.749   7.336
  476   3HG1  VAL  60          3HG1      VAL  60   2.414   0.307   8.337
  477   1HG2  VAL  60          1HG2      VAL  60   3.267  -0.089   4.177
  478   2HG2  VAL  60          2HG2      VAL  60   3.209   1.503   4.977
  479   3HG2  VAL  60          3HG2      VAL  60   4.548   0.380   5.323
  480    H    ASN  61           H        ASN  61   2.151  -2.851   8.343
  481    HA   ASN  61           HA       ASN  61   4.101  -2.321  10.246
  482   1HB   ASN  61          1HB       ASN  61   1.718  -3.083  10.569
  483   2HB   ASN  61          2HB       ASN  61   2.245  -4.723  10.134
  484   2HD2  ASN  61          2HD2      ASN  61   1.061  -3.752  12.609
  485   1HD2  ASN  61          1HD2      ASN  61   2.198  -4.127  13.885
  486    H    LEU  62           H        LEU  62   3.516  -5.468   8.558
  487    HA   LEU  62           HA       LEU  62   5.916  -6.676   9.342
  488   1HB   LEU  62          1HB       LEU  62   3.988  -7.128   7.109
  489   2HB   LEU  62          2HB       LEU  62   5.577  -7.924   7.023
  490    HG   LEU  62           HG       LEU  62   5.008  -8.492   9.579
  491   1HD1  LEU  62          1HD1      LEU  62   2.844  -7.296   9.593
  492   2HD1  LEU  62          2HD1      LEU  62   2.268  -8.319   8.254
  493   3HD1  LEU  62          3HD1      LEU  62   2.606  -9.041   9.844
  494   1HD2  LEU  62          1HD2      LEU  62   5.512 -10.102   7.754
  495   2HD2  LEU  62          2HD2      LEU  62   4.160 -10.680   8.760
  496   3HD2  LEU  62          3HD2      LEU  62   3.838  -9.957   7.163
  497    H    LEU  63           H        LEU  63   5.270  -4.589   6.497
  498    HA   LEU  63           HA       LEU  63   7.890  -4.608   5.425
  499   1HB   LEU  63          1HB       LEU  63   6.285  -3.829   4.009
  500   2HB   LEU  63          2HB       LEU  63   5.495  -2.844   5.265
  501    HG   LEU  63           HG       LEU  63   8.204  -2.012   4.345
  502   1HD1  LEU  63          1HD1      LEU  63   7.096  -2.523   2.222
  503   2HD1  LEU  63          2HD1      LEU  63   5.702  -1.526   2.702
  504   3HD1  LEU  63          3HD1      LEU  63   7.288  -0.769   2.429
  505   1HD2  LEU  63          1HD2      LEU  63   7.019  -0.808   6.142
  506   2HD2  LEU  63          2HD2      LEU  63   7.233   0.235   4.716
  507   3HD2  LEU  63          3HD2      LEU  63   5.650  -0.507   5.045
  508    H    SER  64           H        SER  64   6.432  -2.614   7.999
  509    HA   SER  64           HA       SER  64   8.308  -0.633   8.204
  510   1HB   SER  64          1HB       SER  64   6.105  -0.768   9.413
  511   2HB   SER  64          2HB       SER  64   6.850  -1.933  10.534
  512    HG   SER  64           HG       SER  64   6.909   0.233  11.347
  513    H    LEU  65           H        LEU  65   8.296  -3.878   9.786
  514    HA   LEU  65           HA       LEU  65  10.971  -3.484  10.826
  515   1HB   LEU  65          1HB       LEU  65   9.080  -5.849  10.773
  516   2HB   LEU  65          2HB       LEU  65  10.700  -5.889  11.512
  517    HG   LEU  65           HG       LEU  65   8.630  -3.810  12.253
  518   1HD1  LEU  65          1HD1      LEU  65   7.642  -6.018  12.617
  519   2HD1  LEU  65          2HD1      LEU  65   9.068  -6.511  13.561
  520   3HD1  LEU  65          3HD1      LEU  65   8.004  -5.221  14.166
  521   1HD2  LEU  65          1HD2      LEU  65  10.933  -3.306  12.886
  522   2HD2  LEU  65          2HD2      LEU  65   9.933  -3.615  14.324
  523   3HD2  LEU  65          3HD2      LEU  65  11.051  -4.867  13.735
  524    H    ARG  66           H        ARG  66   9.687  -4.502   7.796
  525    HA   ARG  66           HA       ARG  66  11.914  -6.190   7.005
  526   1HB   ARG  66          1HB       ARG  66   9.386  -6.215   6.254
  527   2HB   ARG  66          2HB       ARG  66   9.914  -4.953   5.115
  528   1HG   ARG  66          1HG       ARG  66  10.544  -6.614   3.733
  529   2HG   ARG  66          2HG       ARG  66  11.855  -6.971   4.883
  530   1HD   ARG  66          1HD       ARG  66  10.862  -9.017   5.056
  531   2HD   ARG  66          2HD       ARG  66   9.699  -8.181   6.104
  532    HE   ARG  66           HE       ARG  66   9.042  -7.950   3.314
  533   1HH1  ARG  66          1HH1      ARG  66   7.301  -9.101   2.426
  534   2HH1  ARG  66          2HH1      ARG  66   6.560 -10.402   3.327
  535   1HH2  ARG  66          1HH2      ARG  66   8.654 -10.095   6.095
  536   2HH2  ARG  66          2HH2      ARG  66   7.315 -10.962   5.382
  537    H    VAL  67           H        VAL  67  10.648  -2.954   5.918
  538    HA   VAL  67           HA       VAL  67  13.181  -2.342   4.587
  539    HB   VAL  67           HB       VAL  67  10.822  -2.036   3.629
  540   1HG1  VAL  67          1HG1      VAL  67   9.767  -0.797   5.453
  541   2HG1  VAL  67          2HG1      VAL  67  10.931   0.533   5.234
  542   3HG1  VAL  67          3HG1      VAL  67   9.753   0.162   3.960
  543   1HG2  VAL  67          1HG2      VAL  67  12.893  -1.252   2.572
  544   2HG2  VAL  67          2HG2      VAL  67  11.575  -0.091   2.304
  545   3HG2  VAL  67          3HG2      VAL  67  12.820   0.250   3.524
  546    H    LYS  68           H        LYS  68  13.398  -2.663   7.384
  547    HA   LYS  68           HA       LYS  68  14.311   0.030   8.123
  548   1HB   LYS  68          1HB       LYS  68  12.165  -0.156   9.207
  549   2HB   LYS  68          2HB       LYS  68  12.585  -1.770   9.833
  550   1HG   LYS  68          1HG       LYS  68  14.409   0.346  10.736
  551   2HG   LYS  68          2HG       LYS  68  12.718   0.580  11.242
  552   1HD   LYS  68          1HD       LYS  68  12.630  -1.524  12.334
  553   2HD   LYS  68          2HD       LYS  68  14.073  -2.123  11.481
  554   1HE   LYS  68          1HE       LYS  68  15.035  -1.663  13.494
  555   2HE   LYS  68          2HE       LYS  68  15.196  -0.056  12.751
  556   1HZ   LYS  68          1HZ       LYS  68  13.137   0.534  13.854
  557   2HZ   LYS  68          2HZ       LYS  68  13.121  -0.941  14.583
  558   3HZ   LYS  68          3HZ       LYS  68  14.327   0.105  14.903
  559    H    LYS  69           H        LYS  69  16.067  -0.017   9.448
  560    HA   LYS  69           HA       LYS  69  18.063  -1.852   8.999
  561   1HB   LYS  69          1HB       LYS  69  19.306  -0.763  10.610
  562   2HB   LYS  69          2HB       LYS  69  18.124   0.466  10.097
  563   1HG   LYS  69          1HG       LYS  69  17.884   0.828  12.281
  564   2HG   LYS  69          2HG       LYS  69  16.850  -0.621  12.235
  565   1HD   LYS  69          1HD       LYS  69  18.218  -1.144  14.011
  566   2HD   LYS  69          2HD       LYS  69  19.137  -1.878  12.675
  567   1HE   LYS  69          1HE       LYS  69  19.707   0.971  13.445
  568   2HE   LYS  69          2HE       LYS  69  20.328  -0.341  14.472
  569   1HZ   LYS  69          1HZ       LYS  69  20.818  -0.138  11.592
  570   2HZ   LYS  69          2HZ       LYS  69  21.831   0.412  12.745
  571   3HZ   LYS  69          3HZ       LYS  69  21.507  -1.187  12.663
  572    H    MET  70           H        MET  70  18.872  -3.673   9.913
  573    HA   MET  70           HA       MET  70  16.917  -5.249  11.414
  574   1HB   MET  70          1HB       MET  70  18.842  -5.781   9.428
  575   2HB   MET  70          2HB       MET  70  19.447  -6.579  10.900
  576   1HG   MET  70          1HG       MET  70  16.937  -7.361  11.154
  577   2HG   MET  70          2HG       MET  70  16.851  -7.015   9.419
  578   1HE   MET  70          1HE       MET  70  16.164  -9.584   9.105
  579   2HE   MET  70          2HE       MET  70  17.155 -10.953   9.669
  580   3HE   MET  70          3HE       MET  70  16.370  -9.874  10.850

  No H/Q in entry =         580
  Start of MODEL    9
    1    H1   ALA   1           H1       ALA   1 -10.529  21.333  -5.122
    2    H2   ALA   1           H2       ALA   1 -10.357  21.806  -6.680
    3    H3   ALA   1           H3       ALA   1 -11.605  20.857  -6.243
    4    HA   ALA   1           HA       ALA   1 -10.003  19.502  -7.320
    5   1HB   ALA   1          1HB       ALA   1  -8.159  20.571  -5.133
    6   2HB   ALA   1          2HB       ALA   1  -8.077  20.995  -6.860
    7   3HB   ALA   1          3HB       ALA   1  -7.734  19.329  -6.336
    8    H    SER   2           H        SER   2  -9.560  17.349  -6.622
    9    HA   SER   2           HA       SER   2  -9.617  16.128  -4.208
   10   1HB   SER   2          1HB       SER   2 -12.074  15.315  -4.078
   11   2HB   SER   2          2HB       SER   2 -11.690  16.926  -3.426
   12    HG   SER   2           HG       SER   2 -13.508  17.178  -4.756
   13    H    ASN   3           H        ASN   3  -8.560  14.469  -5.051
   14    HA   ASN   3           HA       ASN   3  -9.812  12.362  -6.355
   15   1HB   ASN   3          1HB       ASN   3  -8.822  12.378  -8.584
   16   2HB   ASN   3          2HB       ASN   3  -9.870  13.796  -8.361
   17   2HD2  ASN   3          2HD2      ASN   3  -7.854  15.275  -6.765
   18   1HD2  ASN   3          1HD2      ASN   3  -6.609  15.784  -7.894
   19    H    TYR   4           H        TYR   4  -8.659  10.596  -5.783
   20    HA   TYR   4           HA       TYR   4  -5.798  10.973  -5.233
   21   1HB   TYR   4          1HB       TYR   4  -7.934   9.058  -4.326
   22   2HB   TYR   4          2HB       TYR   4  -6.223   8.625  -4.173
   23    HD1  TYR   4           HD1      TYR   4  -6.945  12.241  -3.675
   24    HD2  TYR   4           HD2      TYR   4  -6.797   8.328  -1.818
   25    HE1  TYR   4           HE1      TYR   4  -6.487  13.306  -1.466
   26    HE2  TYR   4           HE2      TYR   4  -6.322   9.398   0.396
   27    HH   TYR   4           HH       TYR   4  -5.901  11.258   1.459
   28    H    ASP   5           H        ASP   5  -6.233  11.017  -7.889
   29    HA   ASP   5           HA       ASP   5  -5.895   8.306  -8.976
   30   1HB   ASP   5          1HB       ASP   5  -6.025   9.466 -11.160
   31   2HB   ASP   5          2HB       ASP   5  -7.470   9.659 -10.145
   32    HD2  ASP   5           HD2      ASP   5  -7.192  12.905 -11.167
   33    H    CYS   6           H        CYS   6  -3.880   8.983  -7.277
   34    HA   CYS   6           HA       CYS   6  -1.653  10.342  -8.304
   35   1HB   CYS   6          1HB       CYS   6  -2.279   8.371  -6.160
   36   2HB   CYS   6          2HB       CYS   6  -0.565   8.570  -6.600
   37    H    CYS   7           H        CYS   7  -0.915   6.971  -7.606
   38    HA   CYS   7           HA       CYS   7   0.518   6.534  -9.996
   39   1HB   CYS   7          1HB       CYS   7   0.890   4.423  -9.137
   40   2HB   CYS   7          2HB       CYS   7   0.638   5.438  -7.694
   41    H    LEU   8           H        LEU   8  -0.498   3.921 -10.805
   42    HA   LEU   8           HA       LEU   8  -2.099   4.423 -12.911
   43   1HB   LEU   8          1HB       LEU   8  -2.903   2.009 -12.665
   44   2HB   LEU   8          2HB       LEU   8  -1.161   2.328 -12.852
   45    HG   LEU   8           HG       LEU   8  -2.146   2.209 -10.063
   46   1HD1  LEU   8          1HD1      LEU   8  -3.531   0.477 -11.126
   47   2HD1  LEU   8          2HD1      LEU   8  -2.076  -0.258 -11.843
   48   3HD1  LEU   8          3HD1      LEU   8  -2.291  -0.252 -10.075
   49   1HD2  LEU   8          1HD2      LEU   8   0.232   2.475 -10.613
   50   2HD2  LEU   8          2HD2      LEU   8  -0.056   0.941  -9.759
   51   3HD2  LEU   8          3HD2      LEU   8   0.201   0.942 -11.518
   52    H    SER   9           H        SER   9  -3.261   3.987  -9.625
   53    HA   SER   9           HA       SER   9  -5.351   5.626  -9.624
   54   1HB   SER   9          1HB       SER   9  -7.314   3.892  -9.589
   55   2HB   SER   9          2HB       SER   9  -6.789   4.618 -11.128
   56    HG   SER   9           HG       SER   9  -6.740   2.516 -11.661
   57    H    TYR  10           H        TYR  10  -6.185   5.775  -7.558
   58    HA   TYR  10           HA       TYR  10  -5.147   4.506  -5.366
   59   1HB   TYR  10          1HB       TYR  10  -6.642   6.559  -5.555
   60   2HB   TYR  10          2HB       TYR  10  -8.016   5.441  -5.625
   61    HD1  TYR  10           HD1      TYR  10  -9.017   4.637  -3.619
   62    HD2  TYR  10           HD2      TYR  10  -5.083   6.432  -3.521
   63    HE1  TYR  10           HE1      TYR  10  -9.033   4.535  -1.119
   64    HE2  TYR  10           HE2      TYR  10  -5.119   6.371  -1.018
   65    HH   TYR  10           HH       TYR  10  -6.321   5.978   0.766
   66    H    ILE  11           H        ILE  11  -6.527   3.174  -3.753
   67    HA   ILE  11           HA       ILE  11  -7.343   0.710  -5.079
   68    HB   ILE  11           HB       ILE  11  -5.682   0.721  -3.278
   69   1HG1  ILE  11          1HG1      ILE  11  -6.543  -1.184  -2.071
   70   2HG1  ILE  11          2HG1      ILE  11  -8.213  -0.751  -2.514
   71   1HG2  ILE  11          1HG2      ILE  11  -6.594   2.478  -1.817
   72   2HG2  ILE  11          2HG2      ILE  11  -7.997   1.447  -1.449
   73   3HG2  ILE  11          3HG2      ILE  11  -6.374   0.968  -0.912
   74   1HD1  ILE  11          1HD1      ILE  11  -6.030  -1.620  -4.442
   75   2HD1  ILE  11          2HD1      ILE  11  -7.384  -2.630  -3.895
   76   3HD1  ILE  11          3HD1      ILE  11  -7.700  -1.190  -4.882
   77    H    GLN  12           H        GLN  12  -9.224   1.422  -6.052
   78    HA   GLN  12           HA       GLN  12 -11.407   2.515  -4.704
   79   1HB   GLN  12          1HB       GLN  12 -11.052   0.971  -7.200
   80   2HB   GLN  12          2HB       GLN  12 -12.692   0.983  -6.505
   81   1HG   GLN  12          1HG       GLN  12 -11.981   3.630  -6.257
   82   2HG   GLN  12          2HG       GLN  12 -11.139   3.184  -7.757
   83   2HE2  GLN  12          2HE2      GLN  12 -14.117   4.040  -6.353
   84   1HE2  GLN  12          1HE2      GLN  12 -15.170   3.670  -7.704
   85    H    THR  13           H        THR  13 -10.028  -0.554  -4.270
   86    HA   THR  13           HA       THR  13 -12.049  -1.313  -2.383
   87    HB   THR  13           HB       THR  13 -11.847  -2.648  -4.987
   88    HG1  THR  13           HG1      THR  13 -14.105  -2.981  -4.267
   89   1HG2  THR  13          1HG2      THR  13 -12.304  -4.368  -2.528
   90   2HG2  THR  13          2HG2      THR  13 -12.621  -4.865  -4.200
   91   3HG2  THR  13          3HG2      THR  13 -10.958  -4.528  -3.682
   92    HA   PRO  14           HA       PRO  14  -8.067  -2.291  -0.579
   93   1HB   PRO  14          1HB       PRO  14  -9.124  -2.305   2.009
   94   2HB   PRO  14          2HB       PRO  14  -8.379  -0.916   1.154
   95   1HG   PRO  14          1HG       PRO  14 -11.220  -1.437   1.733
   96   2HG   PRO  14          2HG       PRO  14 -10.391   0.128   1.444
   97   1HD   PRO  14          1HD       PRO  14 -12.019  -1.294  -0.398
   98   2HD   PRO  14          2HD       PRO  14 -10.865   0.007  -0.816
   99    H    LEU  15           H        LEU  15  -7.206  -4.224   0.119
  100    HA   LEU  15           HA       LEU  15  -9.145  -6.335   0.768
  101   1HB   LEU  15          1HB       LEU  15  -7.501  -7.834  -0.642
  102   2HB   LEU  15          2HB       LEU  15  -8.869  -6.961  -1.374
  103    HG   LEU  15           HG       LEU  15  -6.528  -5.259  -1.389
  104   1HD1  LEU  15          1HD1      LEU  15  -6.264  -8.040  -2.615
  105   2HD1  LEU  15          2HD1      LEU  15  -5.140  -6.679  -2.858
  106   3HD1  LEU  15          3HD1      LEU  15  -5.316  -7.415  -1.246
  107   1HD2  LEU  15          1HD2      LEU  15  -8.105  -6.693  -3.572
  108   2HD2  LEU  15          2HD2      LEU  15  -8.503  -5.102  -2.879
  109   3HD2  LEU  15          3HD2      LEU  15  -7.002  -5.315  -3.814
  110    HA   PRO  16           HA       PRO  16  -6.516  -7.234   4.089
  111   1HB   PRO  16          1HB       PRO  16  -6.570  -9.957   4.432
  112   2HB   PRO  16          2HB       PRO  16  -7.935  -8.852   4.798
  113   1HG   PRO  16          1HG       PRO  16  -7.541 -10.607   2.404
  114   2HG   PRO  16          2HG       PRO  16  -9.051 -10.275   3.313
  115   1HD   PRO  16          1HD       PRO  16  -8.350  -9.072   0.908
  116   2HD   PRO  16          2HD       PRO  16  -9.406  -8.304   2.133
  117    H    SER  17           H        SER  17  -4.347  -7.551   4.629
  118    HA   SER  17           HA       SER  17  -2.458  -7.743   2.639
  119   1HB   SER  17          1HB       SER  17  -0.774  -7.969   4.386
  120   2HB   SER  17          2HB       SER  17  -1.992  -6.754   4.840
  121    HG   SER  17           HG       SER  17  -1.338  -8.432   6.496
  122    H    ARG  18           H        ARG  18  -4.170 -10.323   4.094
  123    HA   ARG  18           HA       ARG  18  -2.449 -12.513   3.728
  124   1HB   ARG  18          1HB       ARG  18  -4.373 -13.838   3.990
  125   2HB   ARG  18          2HB       ARG  18  -4.632 -12.385   4.986
  126   1HG   ARG  18          1HG       ARG  18  -6.700 -12.530   4.030
  127   2HG   ARG  18          2HG       ARG  18  -5.890 -11.564   2.772
  128   1HD   ARG  18          1HD       ARG  18  -5.286 -14.054   1.894
  129   2HD   ARG  18          2HD       ARG  18  -6.825 -14.395   2.713
  130    HE   ARG  18           HE       ARG  18  -6.781 -12.137   0.839
  131   1HH1  ARG  18          1HH1      ARG  18  -8.170 -12.265  -0.965
  132   2HH1  ARG  18          2HH1      ARG  18  -8.939 -13.783  -1.358
  133   1HH2  ARG  18          1HH2      ARG  18  -7.560 -15.528   1.331
  134   2HH2  ARG  18          2HH2      ARG  18  -8.597 -15.616  -0.072
  135    H    ALA  19           H        ALA  19  -4.014 -10.489   1.385
  136    HA   ALA  19           HA       ALA  19  -3.613 -12.431  -0.814
  137   1HB   ALA  19          1HB       ALA  19  -5.164 -10.964  -2.051
  138   2HB   ALA  19          2HB       ALA  19  -5.896 -11.542  -0.534
  139   3HB   ALA  19          3HB       ALA  19  -5.268  -9.880  -0.640
  140    H    ILE  20           H        ILE  20  -2.005  -9.895   0.735
  141    HA   ILE  20           HA       ILE  20  -0.929  -8.648  -1.683
  142    HB   ILE  20           HB       ILE  20  -0.928  -8.006   1.249
  143   1HG1  ILE  20          1HG1      ILE  20  -1.553  -5.725   0.215
  144   2HG1  ILE  20          2HG1      ILE  20  -1.825  -6.646  -1.283
  145   1HG2  ILE  20          1HG2      ILE  20   1.393  -7.683   0.531
  146   2HG2  ILE  20          2HG2      ILE  20   0.838  -6.668  -0.822
  147   3HG2  ILE  20          3HG2      ILE  20   0.615  -6.120   0.851
  148   1HD1  ILE  20          1HD1      ILE  20  -3.300  -7.038   1.338
  149   2HD1  ILE  20          2HD1      ILE  20  -3.955  -6.226  -0.095
  150   3HD1  ILE  20          3HD1      ILE  20  -3.573  -7.957  -0.161
  151    H    VAL  21           H        VAL  21   0.671  -9.593  -2.600
  152    HA   VAL  21           HA       VAL  21   2.439 -11.386  -1.134
  153    HB   VAL  21           HB       VAL  21   1.315 -11.423  -3.621
  154   1HG1  VAL  21          1HG1      VAL  21   2.904  -9.892  -4.663
  155   2HG1  VAL  21          2HG1      VAL  21   4.255 -10.914  -4.116
  156   3HG1  VAL  21          3HG1      VAL  21   3.104 -11.528  -5.314
  157   1HG2  VAL  21          1HG2      VAL  21   2.067 -13.288  -2.206
  158   2HG2  VAL  21          2HG2      VAL  21   2.658 -13.484  -3.872
  159   3HG2  VAL  21          3HG2      VAL  21   3.762 -12.914  -2.601
  160    H    GLY  22           H        GLY  22   2.643  -8.339  -2.950
  161   1HA   GLY  22          1HA       GLY  22   5.076  -7.584  -3.327
  162   2HA   GLY  22          2HA       GLY  22   5.123  -7.606  -1.550
  163    H    PHE  23           H        PHE  23   5.606  -5.295  -2.025
  164    HA   PHE  23           HA       PHE  23   3.811  -3.463  -3.041
  165   1HB   PHE  23          1HB       PHE  23   2.901  -2.418  -1.030
  166   2HB   PHE  23          2HB       PHE  23   2.286  -4.065  -1.258
  167    HD1  PHE  23           HD1      PHE  23   3.400  -5.981   0.136
  168    HD2  PHE  23           HD2      PHE  23   3.874  -1.738   0.867
  169    HE1  PHE  23           HE1      PHE  23   4.356  -6.500   2.395
  170    HE2  PHE  23           HE2      PHE  23   4.755  -2.257   3.148
  171    HZ   PHE  23           HZ       PHE  23   5.050  -4.606   3.847
  172    H    THR  24           H        THR  24   4.323  -1.264  -2.520
  173    HA   THR  24           HA       THR  24   6.952  -0.803  -1.233
  174    HB   THR  24           HB       THR  24   6.212   0.423  -3.895
  175    HG1  THR  24           HG1      THR  24   7.664  -1.405  -4.740
  176   1HG2  THR  24          1HG2      THR  24   8.125   1.387  -2.656
  177   2HG2  THR  24          2HG2      THR  24   8.884  -0.221  -2.578
  178   3HG2  THR  24          3HG2      THR  24   8.674   0.591  -4.146
  179    H    ARG  25           H        ARG  25   7.338   1.663  -1.191
  180    HA   ARG  25           HA       ARG  25   4.965   2.917   0.036
  181   1HB   ARG  25          1HB       ARG  25   7.941   3.598   0.126
  182   2HB   ARG  25          2HB       ARG  25   6.656   4.403   1.061
  183   1HG   ARG  25          1HG       ARG  25   7.143   1.423   1.284
  184   2HG   ARG  25          2HG       ARG  25   8.080   2.592   2.246
  185   1HD   ARG  25          1HD       ARG  25   5.135   2.967   2.308
  186   2HD   ARG  25          2HD       ARG  25   5.731   1.475   3.066
  187    HE   ARG  25           HE       ARG  25   7.448   3.258   4.078
  188   1HH1  ARG  25          1HH1      ARG  25   7.227   4.561   5.919
  189   2HH1  ARG  25          2HH1      ARG  25   5.638   5.035   6.473
  190   1HH2  ARG  25          1HH2      ARG  25   3.918   3.391   3.917
  191   2HH2  ARG  25          2HH2      ARG  25   3.779   4.379   5.349
  192    H    GLN  26           H        GLN  26   4.134   4.816  -0.727
  193    HA   GLN  26           HA       GLN  26   5.520   6.171  -2.967
  194   1HB   GLN  26          1HB       GLN  26   3.556   4.818  -3.761
  195   2HB   GLN  26          2HB       GLN  26   2.515   5.770  -2.675
  196   1HG   GLN  26          1HG       GLN  26   3.274   7.850  -3.896
  197   2HG   GLN  26          2HG       GLN  26   4.115   6.799  -5.055
  198   2HE2  GLN  26          2HE2      GLN  26   0.961   7.681  -3.710
  199   1HE2  GLN  26          1HE2      GLN  26  -0.002   7.075  -5.045
  200    H    MET  27           H        MET  27   6.367   7.745  -1.709
  201    HA   MET  27           HA       MET  27   4.943   9.278   0.222
  202   1HB   MET  27          1HB       MET  27   6.827  10.910  -0.121
  203   2HB   MET  27          2HB       MET  27   7.303   9.261   0.352
  204   1HG   MET  27          1HG       MET  27   7.256   9.741  -2.562
  205   2HG   MET  27          2HG       MET  27   8.444  10.708  -1.672
  206   1HE   MET  27          1HE       MET  27   7.564   7.284  -3.150
  207   2HE   MET  27          2HE       MET  27   8.881   8.219  -3.899
  208   3HE   MET  27          3HE       MET  27   9.221   6.636  -3.162
  209    H    ALA  28           H        ALA  28   4.894  11.745  -0.079
  210    HA   ALA  28           HA       ALA  28   3.187  12.398  -2.402
  211   1HB   ALA  28          1HB       ALA  28   3.682  13.709   0.315
  212   2HB   ALA  28          2HB       ALA  28   2.299  12.666  -0.094
  213   3HB   ALA  28          3HB       ALA  28   2.494  14.242  -0.903
  214    H    ASP  29           H        ASP  29   4.388  13.218  -4.055
  215    HA   ASP  29           HA       ASP  29   5.757  15.605  -3.905
  216   1HB   ASP  29          1HB       ASP  29   7.516  13.413  -3.160
  217   2HB   ASP  29          2HB       ASP  29   8.068  14.178  -4.666
  218    HD2  ASP  29           HD2      ASP  29   8.799  16.022  -1.366
  219    H    GLU  30           H        GLU  30   6.443  12.477  -5.525
  220    HA   GLU  30           HA       GLU  30   6.897  13.525  -8.099
  221   1HB   GLU  30          1HB       GLU  30   7.379  11.230  -6.810
  222   2HB   GLU  30          2HB       GLU  30   5.925  10.729  -7.705
  223   1HG   GLU  30          1HG       GLU  30   6.932  10.972  -9.765
  224   2HG   GLU  30          2HG       GLU  30   8.021  12.259  -9.202
  225    H    ALA  31           H        ALA  31   5.069  11.529  -9.545
  226    HA   ALA  31           HA       ALA  31   2.983  13.135 -10.344
  227   1HB   ALA  31          1HB       ALA  31   3.093  10.095 -10.213
  228   2HB   ALA  31          2HB       ALA  31   3.761  11.108 -11.515
  229   3HB   ALA  31          3HB       ALA  31   2.005  11.051 -11.245
  230    H    CYS  32           H        CYS  32   3.272  11.418  -7.345
  231    HA   CYS  32           HA       CYS  32   0.405  11.755  -6.717
  232   1HB   CYS  32          1HB       CYS  32   1.555   9.486  -6.370
  233   2HB   CYS  32          2HB       CYS  32   2.509  10.292  -5.099
  234    H    ASP  33           H        ASP  33  -0.165  13.271  -5.336
  235    HA   ASP  33           HA       ASP  33   1.928  14.906  -4.009
  236   1HB   ASP  33          1HB       ASP  33   0.092  15.890  -5.510
  237   2HB   ASP  33          2HB       ASP  33  -1.044  15.464  -4.211
  238    HD2  ASP  33           HD2      ASP  33  -0.066  18.880  -3.756
  239    H    ILE  34           H        ILE  34   0.147  12.186  -3.287
  240    HA   ILE  34           HA       ILE  34  -0.151  12.962  -0.447
  241    HB   ILE  34           HB       ILE  34  -2.185  11.908  -0.199
  242   1HG1  ILE  34          1HG1      ILE  34  -1.445  10.439  -2.629
  243   2HG1  ILE  34          2HG1      ILE  34  -2.113   9.883  -1.076
  244   1HG2  ILE  34          1HG2      ILE  34  -2.427  14.094  -1.212
  245   2HG2  ILE  34          2HG2      ILE  34  -2.413  13.369  -2.838
  246   3HG2  ILE  34          3HG2      ILE  34  -3.750  13.019  -1.719
  247   1HD1  ILE  34          1HD1      ILE  34  -3.676  11.089  -3.356
  248   2HD1  ILE  34          2HD1      ILE  34  -3.637   9.370  -2.938
  249   3HD1  ILE  34          3HD1      ILE  34  -4.344  10.530  -1.804
  250    H    ASN  35           H        ASN  35  -0.403  10.718   0.799
  251    HA   ASN  35           HA       ASN  35   1.861   9.043  -0.121
  252   1HB   ASN  35          1HB       ASN  35   0.302   8.777   2.431
  253   2HB   ASN  35          2HB       ASN  35   1.973   8.284   2.079
  254   2HD2  ASN  35          2HD2      ASN  35  -0.146  10.769   3.156
  255   1HD2  ASN  35          1HD2      ASN  35   1.063  11.978   3.524
  256    H    ALA  36           H        ALA  36   1.584   6.989  -0.807
  257    HA   ALA  36           HA       ALA  36  -0.925   5.589  -0.351
  258   1HB   ALA  36          1HB       ALA  36  -1.256   4.914  -2.696
  259   2HB   ALA  36          2HB       ALA  36   0.078   5.981  -3.187
  260   3HB   ALA  36          3HB       ALA  36  -1.410   6.672  -2.492
  261    H    ILE  37           H        ILE  37  -0.794   3.308  -0.731
  262    HA   ILE  37           HA       ILE  37   1.973   2.298  -0.578
  263    HB   ILE  37           HB       ILE  37  -0.628   1.135   0.395
  264   1HG1  ILE  37          1HG1      ILE  37  -0.140   2.894   1.806
  265   2HG1  ILE  37          2HG1      ILE  37   0.504   1.463   2.645
  266   1HG2  ILE  37          1HG2      ILE  37   0.865  -0.677  -0.239
  267   2HG2  ILE  37          2HG2      ILE  37   2.152   0.010   0.781
  268   3HG2  ILE  37          3HG2      ILE  37   0.669  -0.621   1.524
  269   1HD1  ILE  37          1HD1      ILE  37   2.140   3.510   1.108
  270   2HD1  ILE  37          2HD1      ILE  37   2.038   3.396   2.875
  271   3HD1  ILE  37          3HD1      ILE  37   2.783   2.078   1.950
  272    H    ILE  38           H        ILE  38   2.694   1.740  -2.347
  273    HA   ILE  38           HA       ILE  38   1.137   0.871  -4.623
  274    HB   ILE  38           HB       ILE  38   4.127   1.004  -4.125
  275   1HG1  ILE  38          1HG1      ILE  38   2.402   2.785  -5.880
  276   2HG1  ILE  38          2HG1      ILE  38   2.778   3.180  -4.185
  277   1HG2  ILE  38          1HG2      ILE  38   3.543  -0.646  -5.880
  278   2HG2  ILE  38          2HG2      ILE  38   2.564   0.587  -6.710
  279   3HG2  ILE  38          3HG2      ILE  38   4.327   0.784  -6.589
  280   1HD1  ILE  38          1HD1      ILE  38   4.813   2.790  -6.415
  281   2HD1  ILE  38          2HD1      ILE  38   4.313   4.354  -5.736
  282   3HD1  ILE  38          3HD1      ILE  38   5.187   3.187  -4.720
  283    H    PHE  39           H        PHE  39   0.018  -0.838  -3.503
  284    HA   PHE  39           HA       PHE  39   1.311  -3.214  -2.541
  285   1HB   PHE  39          1HB       PHE  39  -1.508  -2.526  -3.353
  286   2HB   PHE  39          2HB       PHE  39  -1.038  -4.208  -3.057
  287    HD1  PHE  39           HD1      PHE  39   0.450  -4.528  -0.898
  288    HD2  PHE  39           HD2      PHE  39  -2.333  -1.285  -1.496
  289    HE1  PHE  39           HE1      PHE  39   0.132  -4.364   1.573
  290    HE2  PHE  39           HE2      PHE  39  -2.623  -1.106   0.981
  291    HZ   PHE  39           HZ       PHE  39  -1.429  -2.657   2.500
  292    H    HIS  40           H        HIS  40   1.185  -5.315  -3.513
  293    HA   HIS  40           HA       HIS  40   0.903  -5.509  -6.432
  294   1HB   HIS  40          1HB       HIS  40   3.428  -6.244  -4.894
  295   2HB   HIS  40          2HB       HIS  40   3.121  -6.563  -6.611
  296    HD1  HIS  40           HD1      HIS  40   2.296  -3.855  -7.658
  297    HD2  HIS  40           HD2      HIS  40   5.037  -4.301  -4.636
  298    HE1  HIS  40           HE1      HIS  40   3.846  -1.832  -7.807
  299    HE2  HIS  40           HE2      HIS  40   5.225  -1.983  -5.656
  300    H    THR  41           H        THR  41  -0.967  -6.528  -5.078
  301    HA   THR  41           HA       THR  41  -0.700  -8.876  -3.568
  302    HB   THR  41           HB       THR  41  -3.072  -9.203  -4.222
  303    HG1  THR  41           HG1      THR  41  -3.843  -7.481  -5.817
  304   1HG2  THR  41          1HG2      THR  41  -2.366  -6.259  -3.811
  305   2HG2  THR  41          2HG2      THR  41  -3.964  -6.988  -3.530
  306   3HG2  THR  41          3HG2      THR  41  -2.582  -7.458  -2.514
  307    H    LYS  42           H        LYS  42  -1.686 -11.044  -4.445
  308    HA   LYS  42           HA       LYS  42   0.054 -11.764  -6.688
  309   1HB   LYS  42          1HB       LYS  42  -0.386 -14.089  -6.085
  310   2HB   LYS  42          2HB       LYS  42   0.186 -13.145  -4.688
  311   1HG   LYS  42          1HG       LYS  42  -1.768 -13.424  -3.540
  312   2HG   LYS  42          2HG       LYS  42  -2.770 -13.306  -5.007
  313   1HD   LYS  42          1HD       LYS  42  -1.995 -15.577  -5.692
  314   2HD   LYS  42          2HD       LYS  42  -1.053 -15.694  -4.187
  315   1HE   LYS  42          1HE       LYS  42  -4.022 -15.150  -4.114
  316   2HE   LYS  42          2HE       LYS  42  -3.404 -16.806  -4.289
  317   1HZ   LYS  42          1HZ       LYS  42  -2.699 -14.957  -2.122
  318   2HZ   LYS  42          2HZ       LYS  42  -3.750 -16.184  -2.010
  319   3HZ   LYS  42          3HZ       LYS  42  -2.173 -16.496  -2.283
  320    H    LYS  43           H        LYS  43  -3.144 -10.831  -6.296
  321    HA   LYS  43           HA       LYS  43  -3.894 -11.937  -8.919
  322   1HB   LYS  43          1HB       LYS  43  -4.797 -13.129  -6.674
  323   2HB   LYS  43          2HB       LYS  43  -6.026 -11.854  -6.842
  324   1HG   LYS  43          1HG       LYS  43  -6.507 -12.542  -9.132
  325   2HG   LYS  43          2HG       LYS  43  -5.161 -13.707  -9.106
  326   1HD   LYS  43          1HD       LYS  43  -6.426 -14.755  -7.074
  327   2HD   LYS  43          2HD       LYS  43  -7.826 -13.843  -7.689
  328   1HE   LYS  43          1HE       LYS  43  -8.054 -15.913  -8.787
  329   2HE   LYS  43          2HE       LYS  43  -7.199 -14.934  -9.998
  330   1HZ   LYS  43          1HZ       LYS  43  -5.136 -15.902  -9.178
  331   2HZ   LYS  43          2HZ       LYS  43  -5.986 -16.818  -8.127
  332   3HZ   LYS  43          3HZ       LYS  43  -6.163 -17.037  -9.725
  333    H    ARG  44           H        ARG  44  -2.894  -9.322  -8.208
  334    HA   ARG  44           HA       ARG  44  -4.749  -7.739  -9.627
  335   1HB   ARG  44          1HB       ARG  44  -4.895  -7.561  -6.709
  336   2HB   ARG  44          2HB       ARG  44  -4.394  -6.024  -7.454
  337   1HG   ARG  44          1HG       ARG  44  -6.399  -5.958  -8.801
  338   2HG   ARG  44          2HG       ARG  44  -6.874  -7.582  -8.250
  339   1HD   ARG  44          1HD       ARG  44  -6.728  -6.558  -5.848
  340   2HD   ARG  44          2HD       ARG  44  -6.798  -4.990  -6.682
  341    HE   ARG  44           HE       ARG  44  -8.971  -5.416  -7.305
  342   1HH1  ARG  44          1HH1      ARG  44 -10.947  -6.498  -7.320
  343   2HH1  ARG  44          2HH1      ARG  44 -11.052  -8.148  -6.749
  344   1HH2  ARG  44          1HH2      ARG  44  -7.682  -8.423  -5.956
  345   2HH2  ARG  44          2HH2      ARG  44  -9.231  -9.226  -5.987
  346    H    LYS  45           H        LYS  45  -3.624  -6.234 -10.644
  347    HA   LYS  45           HA       LYS  45  -0.803  -6.067 -10.497
  348   1HB   LYS  45          1HB       LYS  45  -2.935  -5.195 -12.148
  349   2HB   LYS  45          2HB       LYS  45  -2.063  -3.722 -11.657
  350   1HG   LYS  45          1HG       LYS  45   0.004  -4.533 -12.481
  351   2HG   LYS  45          2HG       LYS  45  -0.595  -6.207 -12.576
  352   1HD   LYS  45          1HD       LYS  45  -2.248  -4.529 -14.235
  353   2HD   LYS  45          2HD       LYS  45  -0.539  -4.234 -14.633
  354   1HE   LYS  45          1HE       LYS  45  -0.800  -6.061 -15.959
  355   2HE   LYS  45          2HE       LYS  45  -0.531  -6.947 -14.442
  356   1HZ   LYS  45          1HZ       LYS  45  -2.921  -7.023 -14.177
  357   2HZ   LYS  45          2HZ       LYS  45  -3.117  -6.254 -15.607
  358   3HZ   LYS  45          3HZ       LYS  45  -2.447  -7.731 -15.560
  359    H    SER  46           H        SER  46   0.126  -3.568 -10.356
  360    HA   SER  46           HA       SER  46   0.532  -3.015  -7.722
  361   1HB   SER  46          1HB       SER  46   0.351  -0.622  -9.466
  362   2HB   SER  46          2HB       SER  46   1.715  -1.228  -8.496
  363    HG   SER  46           HG       SER  46   2.116  -1.332 -10.793
  364    H    VAL  47           H        VAL  47  -0.645  -2.161  -6.115
  365    HA   VAL  47           HA       VAL  47  -3.170  -0.741  -6.828
  366    HB   VAL  47           HB       VAL  47  -2.466  -2.900  -4.963
  367   1HG1  VAL  47          1HG1      VAL  47  -2.922  -1.238  -3.279
  368   2HG1  VAL  47          2HG1      VAL  47  -4.496  -0.883  -4.029
  369   3HG1  VAL  47          3HG1      VAL  47  -4.199  -2.468  -3.295
  370   1HG2  VAL  47          1HG2      VAL  47  -3.816  -3.272  -6.935
  371   2HG2  VAL  47          2HG2      VAL  47  -4.739  -3.653  -5.464
  372   3HG2  VAL  47          3HG2      VAL  47  -5.045  -2.134  -6.333
  373    H    CYS  48           H        CYS  48  -3.685   1.174  -5.685
  374    HA   CYS  48           HA       CYS  48  -1.431   2.191  -4.064
  375   1HB   CYS  48          1HB       CYS  48  -3.079   3.634  -6.080
  376   2HB   CYS  48          2HB       CYS  48  -2.565   4.519  -4.622
  377    H    ALA  49           H        ALA  49  -1.924   1.896  -1.994
  378    HA   ALA  49           HA       ALA  49  -4.653   2.807  -1.205
  379   1HB   ALA  49          1HB       ALA  49  -4.221   0.388  -1.139
  380   2HB   ALA  49          2HB       ALA  49  -4.451   1.051   0.500
  381   3HB   ALA  49          3HB       ALA  49  -2.813   0.661  -0.085
  382    H    ASP  50           H        ASP  50  -4.770   4.599   0.061
  383    HA   ASP  50           HA       ASP  50  -2.530   6.044   0.894
  384   1HB   ASP  50          1HB       ASP  50  -5.283   6.373   1.035
  385   2HB   ASP  50          2HB       ASP  50  -4.815   6.271   2.746
  386    HD2  ASP  50           HD2      ASP  50  -3.167   9.318   2.616
  387    HA   PRO  51           HA       PRO  51  -1.135   3.593   4.372
  388   1HB   PRO  51          1HB       PRO  51   0.909   5.189   5.301
  389   2HB   PRO  51          2HB       PRO  51   1.000   4.132   3.854
  390   1HG   PRO  51          1HG       PRO  51   0.604   7.075   3.998
  391   2HG   PRO  51          2HG       PRO  51   1.451   6.111   2.745
  392   1HD   PRO  51          1HD       PRO  51  -1.151   7.191   2.569
  393   2HD   PRO  51          2HD       PRO  51  -0.499   5.876   1.545
  394    H    LYS  52           H        LYS  52  -3.439   4.538   4.874
  395    HA   LYS  52           HA       LYS  52  -3.217   5.831   7.536
  396   1HB   LYS  52          1HB       LYS  52  -5.505   6.239   5.589
  397   2HB   LYS  52          2HB       LYS  52  -5.270   7.028   7.166
  398   1HG   LYS  52          1HG       LYS  52  -3.632   7.412   4.656
  399   2HG   LYS  52          2HG       LYS  52  -4.759   8.572   5.400
  400   1HD   LYS  52          1HD       LYS  52  -2.845   7.967   7.388
  401   2HD   LYS  52          2HD       LYS  52  -1.936   8.199   5.875
  402   1HE   LYS  52          1HE       LYS  52  -3.400  10.302   5.534
  403   2HE   LYS  52          2HE       LYS  52  -3.846  10.118   7.245
  404   1HZ   LYS  52          1HZ       LYS  52  -1.490  10.138   7.752
  405   2HZ   LYS  52          2HZ       LYS  52  -1.151  10.398   6.168
  406   3HZ   LYS  52          3HZ       LYS  52  -1.982  11.513   7.024
  407    H    GLN  53           H        GLN  53  -5.198   3.751   5.341
  408    HA   GLN  53           HA       GLN  53  -6.972   2.686   7.182
  409   1HB   GLN  53          1HB       GLN  53  -5.639   1.521   4.733
  410   2HB   GLN  53          2HB       GLN  53  -6.921   0.679   5.637
  411   1HG   GLN  53          1HG       GLN  53  -8.073   1.685   3.880
  412   2HG   GLN  53          2HG       GLN  53  -8.328   2.806   5.235
  413   2HE2  GLN  53          2HE2      GLN  53  -8.907   3.921   2.994
  414   1HE2  GLN  53          1HE2      GLN  53  -7.645   4.967   2.370
  415    H    ASN  54           H        ASN  54  -7.000   0.307   7.814
  416    HA   ASN  54           HA       ASN  54  -4.762  -0.146   9.588
  417   1HB   ASN  54          1HB       ASN  54  -6.196  -2.008  10.432
  418   2HB   ASN  54          2HB       ASN  54  -6.974  -0.411  10.493
  419   2HD2  ASN  54          2HD2      ASN  54  -7.182  -3.629   9.311
  420   1HD2  ASN  54          1HD2      ASN  54  -8.485  -3.430   8.154
  421    H    TRP  55           H        TRP  55  -6.437  -2.062   7.015
  422    HA   TRP  55           HA       TRP  55  -4.700  -4.201   6.881
  423   1HB   TRP  55          1HB       TRP  55  -5.641  -4.649   4.730
  424   2HB   TRP  55          2HB       TRP  55  -6.912  -3.909   5.711
  425    HD1  TRP  55           HD1      TRP  55  -7.580  -1.346   5.078
  426    HE1  TRP  55           HE1      TRP  55  -7.394  -0.023   2.922
  427    HE3  TRP  55           HE3      TRP  55  -4.334  -4.374   2.675
  428    HZ2  TRP  55           HZ2      TRP  55  -6.224  -0.385   0.366
  429    HZ3  TRP  55           HZ3      TRP  55  -4.241  -4.208   0.190
  430    HH2  TRP  55           HH2      TRP  55  -5.182  -2.226  -0.964
  431    H    VAL  56           H        VAL  56  -4.429  -1.046   5.310
  432    HA   VAL  56           HA       VAL  56  -2.065  -1.451   3.808
  433    HB   VAL  56           HB       VAL  56  -3.632   0.885   4.877
  434   1HG1  VAL  56          1HG1      VAL  56  -0.991   1.085   3.378
  435   2HG1  VAL  56          2HG1      VAL  56  -2.082   2.441   3.729
  436   3HG1  VAL  56          3HG1      VAL  56  -1.267   1.595   5.062
  437   1HG2  VAL  56          1HG2      VAL  56  -4.310  -0.305   2.810
  438   2HG2  VAL  56          2HG2      VAL  56  -3.790   1.357   2.448
  439   3HG2  VAL  56          3HG2      VAL  56  -2.697  -0.006   2.118
  440    H    LYS  57           H        LYS  57  -2.447   0.471   6.879
  441    HA   LYS  57           HA       LYS  57   0.199   0.692   7.457
  442   1HB   LYS  57          1HB       LYS  57  -0.336   1.437   9.530
  443   2HB   LYS  57          2HB       LYS  57  -1.892   1.639   8.689
  444   1HG   LYS  57          1HG       LYS  57  -2.781  -0.334   9.720
  445   2HG   LYS  57          2HG       LYS  57  -1.196  -0.746  10.415
  446   1HD   LYS  57          1HD       LYS  57  -1.966   1.878  11.297
  447   2HD   LYS  57          2HD       LYS  57  -3.296   0.734  11.598
  448   1HE   LYS  57          1HE       LYS  57  -2.120   0.207  13.488
  449   2HE   LYS  57          2HE       LYS  57  -1.107  -0.752  12.388
  450   1HZ   LYS  57          1HZ       LYS  57  -0.646   2.039  13.094
  451   2HZ   LYS  57          2HZ       LYS  57   0.151   0.776  13.740
  452   3HZ   LYS  57          3HZ       LYS  57   0.331   1.114  12.164
  453    H    ARG  58           H        ARG  58  -1.881  -2.151   8.099
  454    HA   ARG  58           HA       ARG  58  -0.107  -3.699   9.616
  455   1HB   ARG  58          1HB       ARG  58  -2.570  -4.053   8.092
  456   2HB   ARG  58          2HB       ARG  58  -1.500  -5.468   7.946
  457   1HG   ARG  58          1HG       ARG  58  -1.423  -4.771  10.666
  458   2HG   ARG  58          2HG       ARG  58  -3.131  -4.609  10.188
  459   1HD   ARG  58          1HD       ARG  58  -3.035  -6.872  10.709
  460   2HD   ARG  58          2HD       ARG  58  -2.696  -6.912   8.966
  461    HE   ARG  58           HE       ARG  58  -0.612  -7.728   9.417
  462   1HH1  ARG  58          1HH1      ARG  58   1.129  -8.469  10.688
  463   2HH1  ARG  58          2HH1      ARG  58   1.196  -8.081  12.389
  464   1HH2  ARG  58          1HH2      ARG  58  -1.775  -6.246  12.408
  465   2HH2  ARG  58          2HH2      ARG  58  -0.430  -6.835  13.355
  466    H    ALA  59           H        ALA  59  -0.618  -3.636   6.025
  467    HA   ALA  59           HA       ALA  59   1.420  -5.545   5.438
  468   1HB   ALA  59          1HB       ALA  59   0.158  -3.346   3.772
  469   2HB   ALA  59          2HB       ALA  59   1.108  -4.719   3.150
  470   3HB   ALA  59          3HB       ALA  59  -0.454  -5.006   3.956
  471    H    VAL  60           H        VAL  60   1.357  -1.924   5.403
  472    HA   VAL  60           HA       VAL  60   4.082  -1.570   4.770
  473    HB   VAL  60           HB       VAL  60   1.928   0.112   5.941
  474   1HG1  VAL  60          1HG1      VAL  60   4.803   1.079   5.873
  475   2HG1  VAL  60          2HG1      VAL  60   3.380   2.103   6.145
  476   3HG1  VAL  60          3HG1      VAL  60   3.808   0.856   7.333
  477   1HG2  VAL  60          1HG2      VAL  60   2.240  -0.297   3.529
  478   2HG2  VAL  60          2HG2      VAL  60   2.517   1.417   3.926
  479   3HG2  VAL  60          3HG2      VAL  60   3.900   0.334   3.632
  480    H    ASN  61           H        ASN  61   2.482  -2.010   7.955
  481    HA   ASN  61           HA       ASN  61   4.539  -1.490   9.646
  482   1HB   ASN  61          1HB       ASN  61   2.222  -2.166  10.271
  483   2HB   ASN  61          2HB       ASN  61   2.619  -3.843   9.835
  484   2HD2  ASN  61          2HD2      ASN  61   1.735  -3.717  12.209
  485   1HD2  ASN  61          1HD2      ASN  61   2.985  -3.783  13.433
  486    H    LEU  62           H        LEU  62   3.796  -4.798   8.368
  487    HA   LEU  62           HA       LEU  62   6.150  -5.966   9.216
  488   1HB   LEU  62          1HB       LEU  62   4.653  -6.704   6.711
  489   2HB   LEU  62          2HB       LEU  62   5.781  -7.729   7.629
  490    HG   LEU  62           HG       LEU  62   2.944  -7.013   8.184
  491   1HD1  LEU  62          1HD1      LEU  62   3.685  -9.187   7.251
  492   2HD1  LEU  62          2HD1      LEU  62   4.718  -9.446   8.677
  493   3HD1  LEU  62          3HD1      LEU  62   2.949  -9.404   8.856
  494   1HD2  LEU  62          1HD2      LEU  62   4.845  -7.716  10.444
  495   2HD2  LEU  62          2HD2      LEU  62   3.983  -6.171  10.251
  496   3HD2  LEU  62          3HD2      LEU  62   3.077  -7.664  10.568
  497    H    LEU  63           H        LEU  63   5.656  -3.986   6.319
  498    HA   LEU  63           HA       LEU  63   8.257  -4.341   5.200
  499   1HB   LEU  63          1HB       LEU  63   6.941  -3.453   3.640
  500   2HB   LEU  63          2HB       LEU  63   5.961  -2.547   4.817
  501    HG   LEU  63           HG       LEU  63   8.673  -1.511   4.230
  502   1HD1  LEU  63          1HD1      LEU  63   7.898  -2.141   1.997
  503   2HD1  LEU  63          2HD1      LEU  63   6.376  -1.258   2.270
  504   3HD1  LEU  63          3HD1      LEU  63   7.915  -0.373   2.187
  505   1HD2  LEU  63          1HD2      LEU  63   7.181  -0.401   5.826
  506   2HD2  LEU  63          2HD2      LEU  63   7.495   0.643   4.421
  507   3HD2  LEU  63          3HD2      LEU  63   5.946  -0.220   4.556
  508    H    SER  64           H        SER  64   6.927  -2.018   7.587
  509    HA   SER  64           HA       SER  64   9.058  -0.239   7.772
  510   1HB   SER  64          1HB       SER  64   6.659  -0.485   8.973
  511   2HB   SER  64          2HB       SER  64   7.689  -1.097  10.290
  512    HG   SER  64           HG       SER  64   7.405   1.184  10.418
  513    H    LEU  65           H        LEU  65   8.638  -3.484   9.338
  514    HA   LEU  65           HA       LEU  65  11.232  -3.342  10.601
  515   1HB   LEU  65          1HB       LEU  65   9.221  -5.566  10.188
  516   2HB   LEU  65          2HB       LEU  65  10.761  -5.779  11.053
  517    HG   LEU  65           HG       LEU  65   9.143  -3.435  11.868
  518   1HD1  LEU  65          1HD1      LEU  65   7.346  -5.054  11.487
  519   2HD1  LEU  65          2HD1      LEU  65   8.180  -6.242  12.517
  520   3HD1  LEU  65          3HD1      LEU  65   7.550  -4.737  13.224
  521   1HD2  LEU  65          1HD2      LEU  65  11.222  -4.021  13.001
  522   2HD2  LEU  65          2HD2      LEU  65   9.842  -4.119  14.120
  523   3HD2  LEU  65          3HD2      LEU  65  10.545  -5.606  13.448
  524    H    ARG  66           H        ARG  66  10.057  -4.346   7.468
  525    HA   ARG  66           HA       ARG  66  12.323  -5.991   6.719
  526   1HB   ARG  66          1HB       ARG  66  10.164  -4.678   5.018
  527   2HB   ARG  66          2HB       ARG  66  11.334  -5.895   4.454
  528   1HG   ARG  66          1HG       ARG  66   9.702  -6.684   6.780
  529   2HG   ARG  66          2HG       ARG  66   8.809  -6.436   5.261
  530   1HD   ARG  66          1HD       ARG  66  10.134  -8.102   4.124
  531   2HD   ARG  66          2HD       ARG  66  11.257  -8.226   5.495
  532    HE   ARG  66           HE       ARG  66   8.585  -9.375   5.288
  533   1HH1  ARG  66          1HH1      ARG  66   7.928 -10.834   6.908
  534   2HH1  ARG  66          2HH1      ARG  66   8.763 -10.861   8.442
  535   1HH2  ARG  66          1HH2      ARG  66  11.083  -8.404   7.576
  536   2HH2  ARG  66          2HH2      ARG  66  10.531  -9.499   8.819
  537    H    VAL  67           H        VAL  67  11.124  -2.779   5.505
  538    HA   VAL  67           HA       VAL  67  13.752  -2.132   4.344
  539    HB   VAL  67           HB       VAL  67  11.075  -0.712   4.134
  540   1HG1  VAL  67          1HG1      VAL  67  13.010   0.761   3.646
  541   2HG1  VAL  67          2HG1      VAL  67  13.607  -0.423   2.457
  542   3HG1  VAL  67          3HG1      VAL  67  12.081   0.437   2.167
  543   1HG2  VAL  67          1HG2      VAL  67  10.984  -2.951   3.082
  544   2HG2  VAL  67          2HG2      VAL  67  10.930  -1.673   1.848
  545   3HG2  VAL  67          3HG2      VAL  67  12.441  -2.563   2.136
  546    H    LYS  68           H        LYS  68  13.621  -2.324   7.156
  547    HA   LYS  68           HA       LYS  68  14.979  -0.023   7.926
  548   1HB   LYS  68          1HB       LYS  68  12.188   0.443   8.109
  549   2HB   LYS  68          2HB       LYS  68  12.757   0.124   9.765
  550   1HG   LYS  68          1HG       LYS  68  14.690   1.795   9.059
  551   2HG   LYS  68          2HG       LYS  68  13.469   2.349   7.891
  552   1HD   LYS  68          1HD       LYS  68  11.955   2.991   9.582
  553   2HD   LYS  68          2HD       LYS  68  12.693   1.911  10.788
  554   1HE   LYS  68          1HE       LYS  68  14.260   3.464  11.368
  555   2HE   LYS  68          2HE       LYS  68  14.601   3.867   9.672
  556   1HZ   LYS  68          1HZ       LYS  68  12.585   5.142   9.650
  557   2HZ   LYS  68          2HZ       LYS  68  12.308   4.784  11.229
  558   3HZ   LYS  68          3HZ       LYS  68  13.619   5.676  10.800
  559    H    LYS  69           H        LYS  69  16.254  -1.770   8.460
  560    HA   LYS  69           HA       LYS  69  15.797  -3.900  10.154
  561   1HB   LYS  69          1HB       LYS  69  18.074  -2.393   9.184
  562   2HB   LYS  69          2HB       LYS  69  18.325  -2.867  10.881
  563   1HG   LYS  69          1HG       LYS  69  17.438  -5.214  10.075
  564   2HG   LYS  69          2HG       LYS  69  17.873  -4.619   8.454
  565   1HD   LYS  69          1HD       LYS  69  20.162  -4.361   9.055
  566   2HD   LYS  69          2HD       LYS  69  19.805  -4.548  10.788
  567   1HE   LYS  69          1HE       LYS  69  18.928  -6.913  10.143
  568   2HE   LYS  69          2HE       LYS  69  19.796  -6.666   8.612
  569   1HZ   LYS  69          1HZ       LYS  69  20.973  -6.478  11.290
  570   2HZ   LYS  69          2HZ       LYS  69  21.140  -7.744  10.269
  571   3HZ   LYS  69          3HZ       LYS  69  21.787  -6.296   9.884
  572    H    MET  70           H        MET  70  16.397  -4.228  12.437
  573    HA   MET  70           HA       MET  70  14.970  -2.321  14.060
  574   1HB   MET  70          1HB       MET  70  14.793  -4.751  14.299
  575   2HB   MET  70          2HB       MET  70  16.501  -4.823  14.798
  576   1HG   MET  70          1HG       MET  70  14.861  -2.925  16.359
  577   2HG   MET  70          2HG       MET  70  14.346  -4.613  16.506
  578   1HE   MET  70          1HE       MET  70  15.731  -6.506  17.580
  579   2HE   MET  70          2HE       MET  70  16.915  -6.311  16.265
  580   3HE   MET  70          3HE       MET  70  17.468  -6.403  17.955

  No H/Q in entry =         580
  Start of MODEL   10
    1    H1   ALA   1           H1       ALA   1  -1.904  17.597   1.189
    2    H2   ALA   1           H2       ALA   1  -2.312  16.691   2.491
    3    H3   ALA   1           H3       ALA   1  -2.482  16.084   0.986
    4    HA   ALA   1           HA       ALA   1  -4.619  16.695   1.795
    5   1HB   ALA   1          1HB       ALA   1  -3.305  19.410   2.217
    6   2HB   ALA   1          2HB       ALA   1  -3.763  18.260   3.496
    7   3HB   ALA   1          3HB       ALA   1  -5.022  19.026   2.497
    8    H    SER   2           H        SER   2  -4.996  16.083  -0.288
    9    HA   SER   2           HA       SER   2  -6.193  17.664  -2.103
   10   1HB   SER   2          1HB       SER   2  -3.251  17.732  -2.600
   11   2HB   SER   2          2HB       SER   2  -4.270  17.345  -4.007
   12    HG   SER   2           HG       SER   2  -3.820  19.730  -3.351
   13    H    ASN   3           H        ASN   3  -7.026  16.454  -3.842
   14    HA   ASN   3           HA       ASN   3  -6.506  13.569  -3.747
   15   1HB   ASN   3          1HB       ASN   3  -8.680  15.349  -4.624
   16   2HB   ASN   3          2HB       ASN   3  -8.332  14.050  -5.785
   17   2HD2  ASN   3          2HD2      ASN   3  -9.806  12.517  -5.500
   18   1HD2  ASN   3          1HD2      ASN   3 -10.241  11.781  -3.973
   19    H    TYR   4           H        TYR   4  -5.111  12.580  -5.033
   20    HA   TYR   4           HA       TYR   4  -4.558  13.740  -7.700
   21   1HB   TYR   4          1HB       TYR   4  -2.785  13.622  -5.456
   22   2HB   TYR   4          2HB       TYR   4  -2.222  12.440  -6.650
   23    HD1  TYR   4           HD1      TYR   4  -3.177  16.056  -6.196
   24    HD2  TYR   4           HD2      TYR   4  -1.241  13.091  -8.705
   25    HE1  TYR   4           HE1      TYR   4  -1.900  17.866  -7.365
   26    HE2  TYR   4           HE2      TYR   4  -0.019  14.920  -9.917
   27    HH   TYR   4           HH       TYR   4   0.259  17.084 -10.136
   28    H    ASP   5           H        ASP   5  -4.945  12.319  -9.271
   29    HA   ASP   5           HA       ASP   5  -5.180   9.459  -8.613
   30   1HB   ASP   5          1HB       ASP   5  -6.809  10.947 -10.058
   31   2HB   ASP   5          2HB       ASP   5  -5.614  10.666 -11.341
   32    HD2  ASP   5           HD2      ASP   5  -6.458   7.268 -11.533
   33    H    CYS   6           H        CYS   6  -2.599  10.377  -8.302
   34    HA   CYS   6           HA       CYS   6  -0.903  10.453 -10.482
   35   1HB   CYS   6          1HB       CYS   6   0.773   9.590  -8.740
   36   2HB   CYS   6          2HB       CYS   6  -0.007  11.181  -8.554
   37    H    CYS   7           H        CYS   7  -0.603   7.553  -8.353
   38    HA   CYS   7           HA       CYS   7   0.088   5.745 -10.362
   39   1HB   CYS   7          1HB       CYS   7   0.164   4.348  -8.634
   40   2HB   CYS   7          2HB       CYS   7  -0.207   5.785  -7.649
   41    H    LEU   8           H        LEU   8  -1.475   3.689 -10.738
   42    HA   LEU   8           HA       LEU   8  -3.260   4.181 -12.696
   43   1HB   LEU   8          1HB       LEU   8  -2.349   1.986 -11.422
   44   2HB   LEU   8          2HB       LEU   8  -4.011   2.008 -10.786
   45    HG   LEU   8           HG       LEU   8  -3.704   2.510 -13.699
   46   1HD1  LEU   8          1HD1      LEU   8  -2.021   0.763 -13.347
   47   2HD1  LEU   8          2HD1      LEU   8  -3.226  -0.245 -12.513
   48   3HD1  LEU   8          3HD1      LEU   8  -3.420   0.124 -14.243
   49   1HD2  LEU   8          1HD2      LEU   8  -5.918   2.410 -12.652
   50   2HD2  LEU   8          2HD2      LEU   8  -5.725   1.103 -13.841
   51   3HD2  LEU   8          3HD2      LEU   8  -5.596   0.748 -12.103
   52    H    SER   9           H        SER   9  -4.253   3.737  -9.252
   53    HA   SER   9           HA       SER   9  -5.888   5.922  -9.002
   54   1HB   SER   9          1HB       SER   9  -7.245   4.018 -10.604
   55   2HB   SER   9          2HB       SER   9  -7.948   3.877  -8.975
   56    HG   SER   9           HG       SER   9  -8.765   5.628 -10.544
   57    H    TYR  10           H        TYR  10  -7.143   5.860  -7.003
   58    HA   TYR  10           HA       TYR  10  -5.972   4.606  -4.773
   59   1HB   TYR  10          1HB       TYR  10  -7.569   6.608  -4.947
   60   2HB   TYR  10          2HB       TYR  10  -8.877   5.423  -5.085
   61    HD1  TYR  10           HD1      TYR  10  -6.740   7.280  -2.858
   62    HD2  TYR  10           HD2      TYR  10  -9.272   3.788  -3.141
   63    HE1  TYR  10           HE1      TYR  10  -6.864   7.160  -0.368
   64    HE2  TYR  10           HE2      TYR  10  -9.321   3.612  -0.640
   65    HH   TYR  10           HH       TYR  10  -8.641   4.444   1.231
   66    H    ILE  11           H        ILE  11  -6.714   2.845  -3.472
   67    HA   ILE  11           HA       ILE  11  -7.619   0.534  -4.822
   68    HB   ILE  11           HB       ILE  11  -6.085   0.568  -2.872
   69   1HG1  ILE  11          1HG1      ILE  11  -8.467  -1.037  -2.063
   70   2HG1  ILE  11          2HG1      ILE  11  -7.853  -1.249  -3.719
   71   1HG2  ILE  11          1HG2      ILE  11  -8.576   1.093  -1.209
   72   2HG2  ILE  11          2HG2      ILE  11  -6.986   0.635  -0.566
   73   3HG2  ILE  11          3HG2      ILE  11  -7.188   2.195  -1.389
   74   1HD1  ILE  11          1HD1      ILE  11  -6.267  -1.635  -1.171
   75   2HD1  ILE  11          2HD1      ILE  11  -6.908  -2.935  -2.196
   76   3HD1  ILE  11          3HD1      ILE  11  -5.655  -1.849  -2.828
   77    H    GLN  12           H        GLN  12  -9.512   0.857  -5.822
   78    HA   GLN  12           HA       GLN  12 -11.811   1.978  -4.815
   79   1HB   GLN  12          1HB       GLN  12 -13.029   0.630  -6.473
   80   2HB   GLN  12          2HB       GLN  12 -11.539   1.326  -7.149
   81   1HG   GLN  12          1HG       GLN  12 -10.396  -0.792  -7.008
   82   2HG   GLN  12          2HG       GLN  12 -11.725  -1.511  -6.073
   83   2HE2  GLN  12          2HE2      GLN  12 -12.652  -2.996  -7.308
   84   1HE2  GLN  12          1HE2      GLN  12 -13.135  -2.800  -8.979
   85    H    THR  13           H        THR  13 -10.322  -0.924  -3.801
   86    HA   THR  13           HA       THR  13 -12.302  -1.438  -1.823
   87    HB   THR  13           HB       THR  13 -12.183  -3.131  -4.216
   88    HG1  THR  13           HG1      THR  13 -14.415  -3.345  -3.376
   89   1HG2  THR  13          1HG2      THR  13 -12.545  -4.471  -1.525
   90   2HG2  THR  13          2HG2      THR  13 -12.920  -5.201  -3.098
   91   3HG2  THR  13          3HG2      THR  13 -11.242  -4.798  -2.694
   92    HA   PRO  14           HA       PRO  14  -8.426  -2.301   0.109
   93   1HB   PRO  14          1HB       PRO  14  -9.601  -2.499   2.660
   94   2HB   PRO  14          2HB       PRO  14  -8.948  -1.020   1.883
   95   1HG   PRO  14          1HG       PRO  14 -11.738  -1.804   2.328
   96   2HG   PRO  14          2HG       PRO  14 -11.042  -0.168   2.092
   97   1HD   PRO  14          1HD       PRO  14 -12.455  -1.717   0.186
   98   2HD   PRO  14          2HD       PRO  14 -11.434  -0.288  -0.164
   99    H    LEU  15           H        LEU  15  -7.491  -4.283   0.083
  100    HA   LEU  15           HA       LEU  15  -9.212  -6.552   0.828
  101   1HB   LEU  15          1HB       LEU  15  -7.553  -7.849  -0.659
  102   2HB   LEU  15          2HB       LEU  15  -8.847  -6.880  -1.404
  103    HG   LEU  15           HG       LEU  15  -6.276  -5.440  -1.033
  104   1HD1  LEU  15          1HD1      LEU  15  -6.652  -7.798  -2.940
  105   2HD1  LEU  15          2HD1      LEU  15  -5.266  -6.677  -2.927
  106   3HD1  LEU  15          3HD1      LEU  15  -5.549  -7.765  -1.544
  107   1HD2  LEU  15          1HD2      LEU  15  -8.135  -5.942  -3.399
  108   2HD2  LEU  15          2HD2      LEU  15  -8.197  -4.530  -2.317
  109   3HD2  LEU  15          3HD2      LEU  15  -6.782  -4.787  -3.366
  110    HA   PRO  16           HA       PRO  16  -6.460  -7.440   4.109
  111   1HB   PRO  16          1HB       PRO  16  -6.379 -10.176   4.304
  112   2HB   PRO  16          2HB       PRO  16  -7.805  -9.182   4.741
  113   1HG   PRO  16          1HG       PRO  16  -7.320 -10.739   2.218
  114   2HG   PRO  16          2HG       PRO  16  -8.830 -10.615   3.178
  115   1HD   PRO  16          1HD       PRO  16  -8.332  -9.161   0.872
  116   2HD   PRO  16          2HD       PRO  16  -9.361  -8.553   2.204
  117    H    SER  17           H        SER  17  -4.253  -7.911   4.628
  118    HA   SER  17           HA       SER  17  -2.409  -7.919   2.506
  119   1HB   SER  17          1HB       SER  17  -0.682  -8.217   4.193
  120   2HB   SER  17          2HB       SER  17  -1.891  -7.033   4.744
  121    HG   SER  17           HG       SER  17  -1.241  -8.729   6.341
  122    H    ARG  18           H        ARG  18  -4.176 -10.519   3.789
  123    HA   ARG  18           HA       ARG  18  -2.408 -12.705   3.341
  124   1HB   ARG  18          1HB       ARG  18  -4.744 -12.447   4.604
  125   2HB   ARG  18          2HB       ARG  18  -5.389 -12.941   3.020
  126   1HG   ARG  18          1HG       ARG  18  -4.030 -14.942   3.014
  127   2HG   ARG  18          2HG       ARG  18  -3.151 -14.411   4.467
  128   1HD   ARG  18          1HD       ARG  18  -4.650 -15.954   5.352
  129   2HD   ARG  18          2HD       ARG  18  -5.523 -14.423   5.584
  130    HE   ARG  18           HE       ARG  18  -6.144 -15.620   3.060
  131   1HH1  ARG  18          1HH1      ARG  18  -8.158 -16.656   2.744
  132   2HH1  ARG  18          2HH1      ARG  18  -9.116 -17.133   4.126
  133   1HH2  ARG  18          1HH2      ARG  18  -6.868 -15.910   6.503
  134   2HH2  ARG  18          2HH2      ARG  18  -8.394 -16.715   6.236
  135    H    ALA  19           H        ALA  19  -3.959 -10.551   1.161
  136    HA   ALA  19           HA       ALA  19  -3.715 -12.473  -1.093
  137   1HB   ALA  19          1HB       ALA  19  -5.262 -10.946  -2.262
  138   2HB   ALA  19          2HB       ALA  19  -5.977 -11.551  -0.747
  139   3HB   ALA  19          3HB       ALA  19  -5.321  -9.898  -0.822
  140    H    ILE  20           H        ILE  20  -1.797 -10.273   0.495
  141    HA   ILE  20           HA       ILE  20  -0.883  -8.873  -1.935
  142    HB   ILE  20           HB       ILE  20  -0.780  -8.295   1.023
  143   1HG1  ILE  20          1HG1      ILE  20  -1.545  -6.041   0.194
  144   2HG1  ILE  20          2HG1      ILE  20  -1.705  -6.773  -1.421
  145   1HG2  ILE  20          1HG2      ILE  20   1.496  -7.927   0.160
  146   2HG2  ILE  20          2HG2      ILE  20   0.840  -6.898  -1.135
  147   3HG2  ILE  20          3HG2      ILE  20   0.716  -6.381   0.560
  148   1HD1  ILE  20          1HD1      ILE  20  -3.302  -7.518   1.037
  149   2HD1  ILE  20          2HD1      ILE  20  -3.901  -6.551  -0.319
  150   3HD1  ILE  20          3HD1      ILE  20  -3.463  -8.248  -0.579
  151    H    VAL  21           H        VAL  21   0.753  -9.674  -2.891
  152    HA   VAL  21           HA       VAL  21   2.551 -11.471  -1.437
  153    HB   VAL  21           HB       VAL  21   3.396 -12.144  -3.630
  154   1HG1  VAL  21          1HG1      VAL  21   1.670 -13.413  -2.447
  155   2HG1  VAL  21          2HG1      VAL  21   0.402 -12.452  -3.245
  156   3HG1  VAL  21          3HG1      VAL  21   1.436 -13.531  -4.204
  157   1HG2  VAL  21          1HG2      VAL  21   2.855 -10.228  -5.029
  158   2HG2  VAL  21          2HG2      VAL  21   2.139 -11.703  -5.701
  159   3HG2  VAL  21          3HG2      VAL  21   1.119 -10.553  -4.820
  160    H    GLY  22           H        GLY  22   2.664  -8.499  -3.424
  161   1HA   GLY  22          1HA       GLY  22   5.123  -7.801  -3.933
  162   2HA   GLY  22          2HA       GLY  22   5.228  -7.788  -2.158
  163    H    PHE  23           H        PHE  23   5.274  -5.619  -1.648
  164    HA   PHE  23           HA       PHE  23   3.599  -3.780  -3.125
  165   1HB   PHE  23          1HB       PHE  23   2.521  -2.872  -1.164
  166   2HB   PHE  23          2HB       PHE  23   2.110  -4.583  -1.367
  167    HD1  PHE  23           HD1      PHE  23   3.170  -6.315   0.116
  168    HD2  PHE  23           HD2      PHE  23   3.632  -2.059   0.720
  169    HE1  PHE  23           HE1      PHE  23   4.078  -6.760   2.407
  170    HE2  PHE  23           HE2      PHE  23   4.473  -2.507   3.029
  171    HZ   PHE  23           HZ       PHE  23   4.738  -4.829   3.816
  172    H    THR  24           H        THR  24   3.909  -1.519  -2.366
  173    HA   THR  24           HA       THR  24   6.540  -0.999  -1.097
  174    HB   THR  24           HB       THR  24   5.758   0.291  -3.722
  175    HG1  THR  24           HG1      THR  24   7.246  -1.411  -4.660
  176   1HG2  THR  24          1HG2      THR  24   8.443  -0.285  -2.404
  177   2HG2  THR  24          2HG2      THR  24   8.209   0.570  -3.945
  178   3HG2  THR  24          3HG2      THR  24   7.616   1.291  -2.433
  179    H    ARG  25           H        ARG  25   6.811   1.489  -1.004
  180    HA   ARG  25           HA       ARG  25   4.352   2.598   0.224
  181   1HB   ARG  25          1HB       ARG  25   7.336   3.154   0.502
  182   2HB   ARG  25          2HB       ARG  25   6.064   4.102   1.308
  183   1HG   ARG  25          1HG       ARG  25   5.814   1.198   1.737
  184   2HG   ARG  25          2HG       ARG  25   7.330   1.883   2.369
  185   1HD   ARG  25          1HD       ARG  25   4.525   2.892   2.991
  186   2HD   ARG  25          2HD       ARG  25   5.544   1.921   4.076
  187    HE   ARG  25           HE       ARG  25   5.770   4.733   3.460
  188   1HH1  ARG  25          1HH1      ARG  25   7.306   6.016   4.433
  189   2HH1  ARG  25          2HH1      ARG  25   8.661   5.291   5.270
  190   1HH2  ARG  25          1HH2      ARG  25   7.667   2.009   4.680
  191   2HH2  ARG  25          2HH2      ARG  25   8.866   3.043   5.410
  192    H    GLN  26           H        GLN  26   3.412   4.383  -0.708
  193    HA   GLN  26           HA       GLN  26   5.026   5.867  -2.717
  194   1HB   GLN  26          1HB       GLN  26   2.930   4.438  -3.385
  195   2HB   GLN  26          2HB       GLN  26   2.031   5.811  -2.693
  196   1HG   GLN  26          1HG       GLN  26   2.980   7.323  -4.316
  197   2HG   GLN  26          2HG       GLN  26   4.055   6.049  -4.936
  198   2HE2  GLN  26          2HE2      GLN  26   0.572   6.184  -4.042
  199   1HE2  GLN  26          1HE2      GLN  26  -0.032   5.558  -5.562
  200    H    MET  27           H        MET  27   5.795   7.332  -1.384
  201    HA   MET  27           HA       MET  27   4.315   8.789   0.579
  202   1HB   MET  27          1HB       MET  27   6.810   9.816  -0.780
  203   2HB   MET  27          2HB       MET  27   6.267  10.053   0.899
  204   1HG   MET  27          1HG       MET  27   7.754   8.461   1.447
  205   2HG   MET  27          2HG       MET  27   6.624   7.302   0.728
  206   1HE   MET  27          1HE       MET  27   8.507   5.570   0.048
  207   2HE   MET  27          2HE       MET  27   7.258   5.800  -1.199
  208   3HE   MET  27          3HE       MET  27   8.968   5.656  -1.667
  209    H    ALA  28           H        ALA  28   3.772  11.034   0.530
  210    HA   ALA  28           HA       ALA  28   2.673  11.945  -2.024
  211   1HB   ALA  28          1HB       ALA  28   1.565  13.598  -0.557
  212   2HB   ALA  28          2HB       ALA  28   1.322  11.941   0.050
  213   3HB   ALA  28          3HB       ALA  28   2.513  13.008   0.831
  214    H    ASP  29           H        ASP  29   4.251  12.789  -3.308
  215    HA   ASP  29           HA       ASP  29   5.296  15.283  -2.963
  216   1HB   ASP  29          1HB       ASP  29   6.946  13.354  -1.539
  217   2HB   ASP  29          2HB       ASP  29   7.855  14.119  -2.860
  218    HD2  ASP  29           HD2      ASP  29   8.450  16.401  -0.337
  219    H    GLU  30           H        GLU  30   6.644  12.131  -4.015
  220    HA   GLU  30           HA       GLU  30   7.865  13.082  -6.392
  221   1HB   GLU  30          1HB       GLU  30   8.064  10.855  -4.915
  222   2HB   GLU  30          2HB       GLU  30   6.967  10.236  -6.172
  223   1HG   GLU  30          1HG       GLU  30   8.886  11.685  -7.603
  224   2HG   GLU  30          2HG       GLU  30   9.827  10.879  -6.328
  225    H    ALA  31           H        ALA  31   6.655  10.850  -8.172
  226    HA   ALA  31           HA       ALA  31   4.845  12.255  -9.702
  227   1HB   ALA  31          1HB       ALA  31   4.299  10.041 -10.661
  228   2HB   ALA  31          2HB       ALA  31   6.050  10.214 -10.396
  229   3HB   ALA  31          3HB       ALA  31   5.071   9.246  -9.267
  230    H    CYS  32           H        CYS  32   4.304  10.738  -6.626
  231    HA   CYS  32           HA       CYS  32   1.403  11.024  -6.908
  232   1HB   CYS  32          1HB       CYS  32   3.048   9.173  -5.321
  233   2HB   CYS  32          2HB       CYS  32   1.727   9.967  -4.427
  234    H    ASP  33           H        ASP  33   0.309  12.407  -5.712
  235    HA   ASP  33           HA       ASP  33   1.863  14.222  -3.958
  236   1HB   ASP  33          1HB       ASP  33   0.672  15.175  -5.898
  237   2HB   ASP  33          2HB       ASP  33  -0.859  14.569  -5.231
  238    HD2  ASP  33           HD2      ASP  33   0.583  17.343  -2.823
  239    H    ILE  34           H        ILE  34  -0.060  11.505  -3.726
  240    HA   ILE  34           HA       ILE  34  -0.907  12.214  -1.015
  241    HB   ILE  34           HB       ILE  34  -2.803  10.595  -1.296
  242   1HG1  ILE  34          1HG1      ILE  34  -2.211  10.894  -4.242
  243   2HG1  ILE  34          2HG1      ILE  34  -2.044   9.408  -3.278
  244   1HG2  ILE  34          1HG2      ILE  34  -2.986  13.033  -1.211
  245   2HG2  ILE  34          2HG2      ILE  34  -2.742  13.126  -2.972
  246   3HG2  ILE  34          3HG2      ILE  34  -4.198  12.332  -2.316
  247   1HD1  ILE  34          1HD1      ILE  34  -4.643  10.892  -3.823
  248   2HD1  ILE  34          2HD1      ILE  34  -4.138   9.380  -4.604
  249   3HD1  ILE  34          3HD1      ILE  34  -4.475   9.403  -2.860
  250    H    ASN  35           H        ASN  35  -1.333  10.135   0.234
  251    HA   ASN  35           HA       ASN  35   1.101   8.465  -0.124
  252   1HB   ASN  35          1HB       ASN  35  -0.764   8.744   2.259
  253   2HB   ASN  35          2HB       ASN  35   0.794   7.891   2.214
  254   2HD2  ASN  35          2HD2      ASN  35  -0.857  10.851   2.611
  255   1HD2  ASN  35          1HD2      ASN  35   0.527  11.887   2.862
  256    H    ALA  36           H        ALA  36   0.830   6.458  -0.877
  257    HA   ALA  36           HA       ALA  36  -1.609   4.974  -0.284
  258   1HB   ALA  36          1HB       ALA  36  -2.073   4.402  -2.638
  259   2HB   ALA  36          2HB       ALA  36  -0.785   5.512  -3.161
  260   3HB   ALA  36          3HB       ALA  36  -2.236   6.150  -2.351
  261    H    ILE  37           H        ILE  37  -1.221   2.774  -0.083
  262    HA   ILE  37           HA       ILE  37   1.558   2.013  -0.447
  263    HB   ILE  37           HB       ILE  37  -0.777   0.450   0.631
  264   1HG1  ILE  37          1HG1      ILE  37  -0.645   2.248   2.049
  265   2HG1  ILE  37          2HG1      ILE  37   0.351   1.008   2.851
  266   1HG2  ILE  37          1HG2      ILE  37   1.040  -1.006  -0.095
  267   2HG2  ILE  37          2HG2      ILE  37   2.196  -0.078   0.890
  268   3HG2  ILE  37          3HG2      ILE  37   0.903  -1.009   1.678
  269   1HD1  ILE  37          1HD1      ILE  37   1.395   3.400   1.296
  270   2HD1  ILE  37          2HD1      ILE  37   1.379   3.255   3.063
  271   3HD1  ILE  37          3HD1      ILE  37   2.389   2.162   2.099
  272    H    ILE  38           H        ILE  38   2.310   1.439  -2.218
  273    HA   ILE  38           HA       ILE  38   0.731   0.594  -4.473
  274    HB   ILE  38           HB       ILE  38   3.727   0.767  -4.049
  275   1HG1  ILE  38          1HG1      ILE  38   1.947   2.524  -5.768
  276   2HG1  ILE  38          2HG1      ILE  38   2.315   2.918  -4.071
  277   1HG2  ILE  38          1HG2      ILE  38   3.128  -0.843  -5.842
  278   2HG2  ILE  38          2HG2      ILE  38   2.102   0.396  -6.604
  279   3HG2  ILE  38          3HG2      ILE  38   3.863   0.624  -6.528
  280   1HD1  ILE  38          1HD1      ILE  38   4.371   2.526  -6.291
  281   2HD1  ILE  38          2HD1      ILE  38   3.868   4.091  -5.614
  282   3HD1  ILE  38          3HD1      ILE  38   4.736   2.921  -4.595
  283    H    PHE  39           H        PHE  39  -0.331  -1.216  -3.620
  284    HA   PHE  39           HA       PHE  39   1.104  -3.619  -2.787
  285   1HB   PHE  39          1HB       PHE  39  -1.811  -2.973  -3.246
  286   2HB   PHE  39          2HB       PHE  39  -1.229  -4.607  -2.880
  287    HD1  PHE  39           HD1      PHE  39   0.380  -4.795  -0.857
  288    HD2  PHE  39           HD2      PHE  39  -2.435  -1.554  -1.381
  289    HE1  PHE  39           HE1      PHE  39   0.186  -4.584   1.609
  290    HE2  PHE  39           HE2      PHE  39  -2.590  -1.328   1.103
  291    HZ   PHE  39           HZ       PHE  39  -1.293  -2.836   2.585
  292    H    HIS  40           H        HIS  40   0.908  -5.635  -3.902
  293    HA   HIS  40           HA       HIS  40   0.139  -5.620  -6.753
  294   1HB   HIS  40          1HB       HIS  40   2.822  -6.664  -5.761
  295   2HB   HIS  40          2HB       HIS  40   2.272  -6.487  -7.438
  296    HD1  HIS  40           HD1      HIS  40   1.828  -3.739  -8.017
  297    HD2  HIS  40           HD2      HIS  40   4.279  -4.725  -4.862
  298    HE1  HIS  40           HE1      HIS  40   3.465  -1.801  -7.765
  299    HE2  HIS  40           HE2      HIS  40   4.657  -2.300  -5.546
  300    H    THR  41           H        THR  41  -1.562  -6.841  -5.624
  301    HA   THR  41           HA       THR  41  -1.044  -9.297  -4.229
  302    HB   THR  41           HB       THR  41  -3.513  -9.565  -4.658
  303    HG1  THR  41           HG1      THR  41  -4.454  -7.614  -5.765
  304   1HG2  THR  41          1HG2      THR  41  -2.618  -6.781  -3.796
  305   2HG2  THR  41          2HG2      THR  41  -4.191  -7.529  -3.428
  306   3HG2  THR  41          3HG2      THR  41  -2.698  -8.216  -2.746
  307    H    LYS  42           H        LYS  42  -2.159 -11.376  -5.169
  308    HA   LYS  42           HA       LYS  42  -0.732 -11.921  -7.676
  309   1HB   LYS  42          1HB       LYS  42  -0.717 -13.354  -5.516
  310   2HB   LYS  42          2HB       LYS  42  -2.318 -13.913  -6.058
  311   1HG   LYS  42          1HG       LYS  42  -0.865 -15.532  -6.940
  312   2HG   LYS  42          2HG       LYS  42  -1.129 -14.434  -8.317
  313   1HD   LYS  42          1HD       LYS  42   1.001 -13.288  -7.770
  314   2HD   LYS  42          2HD       LYS  42   1.271 -14.461  -6.460
  315   1HE   LYS  42          1HE       LYS  42   1.025 -15.128  -9.425
  316   2HE   LYS  42          2HE       LYS  42   2.540 -15.065  -8.499
  317   1HZ   LYS  42          1HZ       LYS  42   0.305 -16.877  -7.991
  318   2HZ   LYS  42          2HZ       LYS  42   1.701 -17.273  -8.738
  319   3HZ   LYS  42          3HZ       LYS  42   1.729 -16.852  -7.164
  320    H    LYS  43           H        LYS  43  -3.738 -10.735  -6.911
  321    HA   LYS  43           HA       LYS  43  -4.874 -11.664  -9.464
  322   1HB   LYS  43          1HB       LYS  43  -5.691 -12.979  -7.321
  323   2HB   LYS  43          2HB       LYS  43  -6.677 -11.522  -7.054
  324   1HG   LYS  43          1HG       LYS  43  -8.156 -12.604  -8.400
  325   2HG   LYS  43          2HG       LYS  43  -7.138 -11.934  -9.698
  326   1HD   LYS  43          1HD       LYS  43  -5.779 -14.082  -9.591
  327   2HD   LYS  43          2HD       LYS  43  -7.038 -14.733  -8.515
  328   1HE   LYS  43          1HE       LYS  43  -8.673 -13.913 -10.427
  329   2HE   LYS  43          2HE       LYS  43  -7.212 -13.996 -11.436
  330   1HZ   LYS  43          1HZ       LYS  43  -6.954 -16.282 -10.660
  331   2HZ   LYS  43          2HZ       LYS  43  -8.370 -16.155  -9.841
  332   3HZ   LYS  43          3HZ       LYS  43  -8.349 -16.046 -11.470
  333    H    ARG  44           H        ARG  44  -3.564  -9.160  -8.681
  334    HA   ARG  44           HA       ARG  44  -5.421  -7.311  -9.800
  335   1HB   ARG  44          1HB       ARG  44  -5.676  -7.626  -7.029
  336   2HB   ARG  44          2HB       ARG  44  -4.624  -6.203  -7.223
  337   1HG   ARG  44          1HG       ARG  44  -6.313  -5.009  -8.407
  338   2HG   ARG  44          2HG       ARG  44  -7.323  -6.467  -8.573
  339   1HD   ARG  44          1HD       ARG  44  -6.581  -6.036  -5.776
  340   2HD   ARG  44          2HD       ARG  44  -7.376  -4.591  -6.437
  341    HE   ARG  44           HE       ARG  44  -8.568  -7.157  -5.901
  342   1HH1  ARG  44          1HH1      ARG  44 -10.767  -7.478  -6.332
  343   2HH1  ARG  44          2HH1      ARG  44 -11.620  -6.373  -7.385
  344   1HH2  ARG  44          1HH2      ARG  44  -8.852  -4.340  -7.997
  345   2HH2  ARG  44          2HH2      ARG  44 -10.547  -4.609  -8.320
  346    H    LYS  45           H        LYS  45  -4.259  -5.907 -10.833
  347    HA   LYS  45           HA       LYS  45  -1.394  -5.933 -10.836
  348   1HB   LYS  45          1HB       LYS  45  -3.586  -4.494 -12.237
  349   2HB   LYS  45          2HB       LYS  45  -2.034  -3.632 -12.128
  350   1HG   LYS  45          1HG       LYS  45  -1.985  -4.883 -14.176
  351   2HG   LYS  45          2HG       LYS  45  -0.922  -5.734 -13.031
  352   1HD   LYS  45          1HD       LYS  45  -2.977  -7.186 -12.494
  353   2HD   LYS  45          2HD       LYS  45  -3.687  -6.500 -13.974
  354   1HE   LYS  45          1HE       LYS  45  -2.148  -7.566 -15.366
  355   2HE   LYS  45          2HE       LYS  45  -0.916  -7.686 -14.092
  356   1HZ   LYS  45          1HZ       LYS  45  -2.352  -9.246 -12.974
  357   2HZ   LYS  45          2HZ       LYS  45  -3.442  -9.169 -14.205
  358   3HZ   LYS  45          3HZ       LYS  45  -1.953  -9.784 -14.459
  359    H    SER  46           H        SER  46  -0.491  -3.362 -10.869
  360    HA   SER  46           HA       SER  46   0.172  -2.714  -8.309
  361   1HB   SER  46          1HB       SER  46   0.081  -0.248  -9.546
  362   2HB   SER  46          2HB       SER  46   1.432  -1.405  -9.624
  363    HG   SER  46           HG       SER  46   0.710  -0.647 -11.732
  364    H    VAL  47           H        VAL  47  -1.023  -2.412  -6.643
  365    HA   VAL  47           HA       VAL  47  -3.608  -0.974  -6.891
  366    HB   VAL  47           HB       VAL  47  -2.554  -3.276  -5.333
  367   1HG1  VAL  47          1HG1      VAL  47  -3.128  -1.788  -3.494
  368   2HG1  VAL  47          2HG1      VAL  47  -4.746  -1.538  -4.194
  369   3HG1  VAL  47          3HG1      VAL  47  -4.275  -3.137  -3.589
  370   1HG2  VAL  47          1HG2      VAL  47  -4.055  -3.557  -7.257
  371   2HG2  VAL  47          2HG2      VAL  47  -4.828  -4.137  -5.765
  372   3HG2  VAL  47          3HG2      VAL  47  -5.288  -2.562  -6.448
  373    H    CYS  48           H        CYS  48  -4.009   0.806  -5.527
  374    HA   CYS  48           HA       CYS  48  -1.678   1.618  -3.876
  375   1HB   CYS  48          1HB       CYS  48  -3.439   3.473  -5.503
  376   2HB   CYS  48          2HB       CYS  48  -2.070   3.941  -4.464
  377    H    ALA  49           H        ALA  49  -2.315   1.456  -1.807
  378    HA   ALA  49           HA       ALA  49  -5.101   2.334  -1.228
  379   1HB   ALA  49          1HB       ALA  49  -4.636  -0.074  -1.103
  380   2HB   ALA  49          2HB       ALA  49  -4.985   0.606   0.508
  381   3HB   ALA  49          3HB       ALA  49  -3.305   0.234   0.037
  382    H    ASP  50           H        ASP  50  -5.314   4.194  -0.077
  383    HA   ASP  50           HA       ASP  50  -3.160   5.643   0.927
  384   1HB   ASP  50          1HB       ASP  50  -5.981   5.865   0.870
  385   2HB   ASP  50          2HB       ASP  50  -5.488   6.079   2.564
  386    HD2  ASP  50           HD2      ASP  50  -4.258   9.216   1.937
  387    HA   PRO  51           HA       PRO  51  -2.160   3.350   4.627
  388   1HB   PRO  51          1HB       PRO  51  -0.101   4.908   5.540
  389   2HB   PRO  51          2HB       PRO  51   0.021   3.786   4.145
  390   1HG   PRO  51          1HG       PRO  51  -0.372   6.753   4.127
  391   2HG   PRO  51          2HG       PRO  51   0.652   5.754   3.046
  392   1HD   PRO  51          1HD       PRO  51  -1.879   6.725   2.404
  393   2HD   PRO  51          2HD       PRO  51  -1.159   5.257   1.681
  394    H    LYS  52           H        LYS  52  -4.452   4.557   4.791
  395    HA   LYS  52           HA       LYS  52  -4.403   6.139   7.305
  396   1HB   LYS  52          1HB       LYS  52  -6.632   5.877   5.258
  397   2HB   LYS  52          2HB       LYS  52  -6.567   6.993   6.644
  398   1HG   LYS  52          1HG       LYS  52  -4.710   7.026   4.242
  399   2HG   LYS  52          2HG       LYS  52  -6.080   8.129   4.516
  400   1HD   LYS  52          1HD       LYS  52  -4.140   8.082   6.732
  401   2HD   LYS  52          2HD       LYS  52  -3.459   8.642   5.186
  402   1HE   LYS  52          1HE       LYS  52  -5.216  10.315   4.956
  403   2HE   LYS  52          2HE       LYS  52  -6.064   9.682   6.383
  404   1HZ   LYS  52          1HZ       LYS  52  -3.363  10.837   6.386
  405   2HZ   LYS  52          2HZ       LYS  52  -4.735  11.590   6.889
  406   3HZ   LYS  52          3HZ       LYS  52  -4.188  10.284   7.700
  407    H    GLN  53           H        GLN  53  -5.617   3.258   5.665
  408    HA   GLN  53           HA       GLN  53  -7.403   2.469   7.814
  409   1HB   GLN  53          1HB       GLN  53  -6.342   0.803   5.512
  410   2HB   GLN  53          2HB       GLN  53  -7.888   0.639   6.376
  411   1HG   GLN  53          1HG       GLN  53  -7.950   3.224   5.296
  412   2HG   GLN  53          2HG       GLN  53  -7.219   2.224   4.022
  413   2HE2  GLN  53          2HE2      GLN  53  -8.859   2.248   2.596
  414   1HE2  GLN  53          1HE2      GLN  53 -10.429   1.527   2.893
  415    H    ASN  54           H        ASN  54  -7.124   0.270   8.756
  416    HA   ASN  54           HA       ASN  54  -4.495   0.009   9.935
  417   1HB   ASN  54          1HB       ASN  54  -7.189  -0.698  10.594
  418   2HB   ASN  54          2HB       ASN  54  -6.203  -2.176  10.603
  419   2HD2  ASN  54          2HD2      ASN  54  -6.386  -2.325  12.861
  420   1HD2  ASN  54          1HD2      ASN  54  -5.470  -1.295  13.938
  421    H    TRP  55           H        TRP  55  -6.596  -2.012   7.764
  422    HA   TRP  55           HA       TRP  55  -4.946  -4.229   7.537
  423   1HB   TRP  55          1HB       TRP  55  -6.180  -4.761   5.577
  424   2HB   TRP  55          2HB       TRP  55  -7.293  -3.898   6.648
  425    HD1  TRP  55           HD1      TRP  55  -8.211  -1.568   5.787
  426    HE1  TRP  55           HE1      TRP  55  -8.076  -0.287   3.601
  427    HE3  TRP  55           HE3      TRP  55  -4.687  -4.398   3.539
  428    HZ2  TRP  55           HZ2      TRP  55  -6.808  -0.609   1.078
  429    HZ3  TRP  55           HZ3      TRP  55  -4.264  -4.089   1.105
  430    HH2  TRP  55           HH2      TRP  55  -5.340  -2.222  -0.118
  431    H    VAL  56           H        VAL  56  -4.883  -1.233   5.586
  432    HA   VAL  56           HA       VAL  56  -2.704  -1.799   3.923
  433    HB   VAL  56           HB       VAL  56  -4.204   0.604   4.862
  434   1HG1  VAL  56          1HG1      VAL  56  -1.585   0.792   3.308
  435   2HG1  VAL  56          2HG1      VAL  56  -2.725   2.128   3.551
  436   3HG1  VAL  56          3HG1      VAL  56  -1.848   1.456   4.938
  437   1HG2  VAL  56          1HG2      VAL  56  -4.665  -0.738   2.794
  438   2HG2  VAL  56          2HG2      VAL  56  -4.202   0.933   2.392
  439   3HG2  VAL  56          3HG2      VAL  56  -3.017  -0.383   2.228
  440    H    LYS  57           H        LYS  57  -2.712   0.385   6.763
  441    HA   LYS  57           HA       LYS  57  -0.032   0.609   7.076
  442   1HB   LYS  57          1HB       LYS  57  -2.388   1.237   8.572
  443   2HB   LYS  57          2HB       LYS  57  -1.160   0.587   9.683
  444   1HG   LYS  57          1HG       LYS  57  -0.191   2.528   7.646
  445   2HG   LYS  57          2HG       LYS  57  -1.276   3.186   8.894
  446   1HD   LYS  57          1HD       LYS  57   1.022   3.533   9.527
  447   2HD   LYS  57          2HD       LYS  57   0.250   2.376  10.638
  448   1HE   LYS  57          1HE       LYS  57   1.741   0.772  10.170
  449   2HE   LYS  57          2HE       LYS  57   1.640   1.063   8.421
  450   1HZ   LYS  57          1HZ       LYS  57   3.092   2.930   8.759
  451   2HZ   LYS  57          2HZ       LYS  57   3.226   2.541  10.349
  452   3HZ   LYS  57          3HZ       LYS  57   3.769   1.516   9.200
  453    H    ARG  58           H        ARG  58  -2.030  -2.156   8.105
  454    HA   ARG  58           HA       ARG  58  -0.137  -3.517   9.649
  455   1HB   ARG  58          1HB       ARG  58  -2.641  -4.146   8.239
  456   2HB   ARG  58          2HB       ARG  58  -1.512  -5.519   8.332
  457   1HG   ARG  58          1HG       ARG  58  -1.343  -5.237  10.766
  458   2HG   ARG  58          2HG       ARG  58  -2.423  -3.825  10.691
  459   1HD   ARG  58          1HD       ARG  58  -3.808  -5.633  11.334
  460   2HD   ARG  58          2HD       ARG  58  -4.139  -5.376   9.608
  461    HE   ARG  58           HE       ARG  58  -2.078  -7.336   9.989
  462   1HH1  ARG  58          1HH1      ARG  58  -2.538  -9.564   9.710
  463   2HH1  ARG  58          2HH1      ARG  58  -4.195 -10.112   9.674
  464   1HH2  ARG  58          1HH2      ARG  58  -5.585  -6.946  10.141
  465   2HH2  ARG  58          2HH2      ARG  58  -5.902  -8.648   9.915
  466    H    ALA  59           H        ALA  59  -0.782  -3.708   6.082
  467    HA   ALA  59           HA       ALA  59   1.233  -5.691   5.602
  468   1HB   ALA  59          1HB       ALA  59  -0.087  -3.629   3.808
  469   2HB   ALA  59          2HB       ALA  59   0.844  -5.051   3.270
  470   3HB   ALA  59          3HB       ALA  59  -0.693  -5.269   4.146
  471    H    VAL  60           H        VAL  60   1.166  -2.072   5.329
  472    HA   VAL  60           HA       VAL  60   3.914  -1.812   4.652
  473    HB   VAL  60           HB       VAL  60   1.776   0.004   5.610
  474   1HG1  VAL  60          1HG1      VAL  60   4.683   0.892   5.539
  475   2HG1  VAL  60          2HG1      VAL  60   3.281   1.973   5.660
  476   3HG1  VAL  60          3HG1      VAL  60   3.642   0.849   6.983
  477   1HG2  VAL  60          1HG2      VAL  60   2.215  -0.647   3.263
  478   2HG2  VAL  60          2HG2      VAL  60   2.513   1.092   3.514
  479   3HG2  VAL  60          3HG2      VAL  60   3.884  -0.042   3.410
  480    H    ASN  61           H        ASN  61   2.317  -2.113   7.814
  481    HA   ASN  61           HA       ASN  61   4.370  -1.429   9.489
  482   1HB   ASN  61          1HB       ASN  61   2.003  -2.121  10.061
  483   2HB   ASN  61          2HB       ASN  61   2.514  -3.812   9.867
  484   2HD2  ASN  61          2HD2      ASN  61   1.474  -2.386  12.186
  485   1HD2  ASN  61          1HD2      ASN  61   2.666  -2.584  13.450
  486    H    LEU  62           H        LEU  62   3.671  -4.823   8.413
  487    HA   LEU  62           HA       LEU  62   6.044  -5.963   9.333
  488   1HB   LEU  62          1HB       LEU  62   4.194  -6.659   7.050
  489   2HB   LEU  62          2HB       LEU  62   5.670  -7.608   7.355
  490    HG   LEU  62           HG       LEU  62   4.449  -7.215   9.888
  491   1HD1  LEU  62          1HD1      LEU  62   2.351  -6.626   8.721
  492   2HD1  LEU  62          2HD1      LEU  62   2.435  -8.144   7.794
  493   3HD1  LEU  62          3HD1      LEU  62   2.195  -8.190   9.557
  494   1HD2  LEU  62          1HD2      LEU  62   5.782  -9.157   9.148
  495   2HD2  LEU  62          2HD2      LEU  62   4.210  -9.674   9.804
  496   3HD2  LEU  62          3HD2      LEU  62   4.472  -9.639   8.043
  497    H    LEU  63           H        LEU  63   5.477  -4.142   6.314
  498    HA   LEU  63           HA       LEU  63   8.089  -4.560   5.201
  499   1HB   LEU  63          1HB       LEU  63   6.718  -3.829   3.592
  500   2HB   LEU  63          2HB       LEU  63   5.761  -2.821   4.703
  501    HG   LEU  63           HG       LEU  63   8.478  -1.843   4.001
  502   1HD1  LEU  63          1HD1      LEU  63   7.681  -2.630   1.818
  503   2HD1  LEU  63          2HD1      LEU  63   6.164  -1.726   2.040
  504   3HD1  LEU  63          3HD1      LEU  63   7.705  -0.853   1.881
  505   1HD2  LEU  63          1HD2      LEU  63   6.985  -0.620   5.520
  506   2HD2  LEU  63          2HD2      LEU  63   7.292   0.316   4.039
  507   3HD2  LEU  63          3HD2      LEU  63   5.746  -0.539   4.245
  508    H    SER  64           H        SER  64   6.750  -2.097   7.443
  509    HA   SER  64           HA       SER  64   8.844  -0.279   7.440
  510   1HB   SER  64          1HB       SER  64   6.502  -0.229   8.574
  511   2HB   SER  64          2HB       SER  64   7.320  -1.026   9.940
  512    HG   SER  64           HG       SER  64   7.317   1.258  10.179
  513    H    LEU  65           H        LEU  65   8.457  -3.378   9.254
  514    HA   LEU  65           HA       LEU  65  10.990  -3.102  10.610
  515   1HB   LEU  65          1HB       LEU  65   9.287  -5.559  10.084
  516   2HB   LEU  65          2HB       LEU  65  10.605  -5.419  11.273
  517    HG   LEU  65           HG       LEU  65   8.471  -3.365  11.421
  518   1HD1  LEU  65          1HD1      LEU  65   7.153  -5.346  10.899
  519   2HD1  LEU  65          2HD1      LEU  65   7.929  -6.232  12.231
  520   3HD1  LEU  65          3HD1      LEU  65   6.886  -4.833  12.581
  521   1HD2  LEU  65          1HD2      LEU  65  10.305  -3.380  13.029
  522   2HD2  LEU  65          2HD2      LEU  65   8.749  -3.657  13.843
  523   3HD2  LEU  65          3HD2      LEU  65   9.850  -5.020  13.549
  524    H    ARG  66           H        ARG  66   9.962  -4.344   7.465
  525    HA   ARG  66           HA       ARG  66  12.411  -5.781   6.912
  526   1HB   ARG  66          1HB       ARG  66  10.004  -6.213   6.064
  527   2HB   ARG  66          2HB       ARG  66  10.329  -4.899   4.908
  528   1HG   ARG  66          1HG       ARG  66  11.941  -7.456   5.164
  529   2HG   ARG  66          2HG       ARG  66  10.692  -7.136   3.937
  530   1HD   ARG  66          1HD       ARG  66  12.041  -5.177   3.167
  531   2HD   ARG  66          2HD       ARG  66  13.317  -5.664   4.303
  532    HE   ARG  66           HE       ARG  66  12.729  -7.885   2.731
  533   1HH1  ARG  66          1HH1      ARG  66  13.920  -8.432   0.885
  534   2HH1  ARG  66          2HH1      ARG  66  14.942  -7.245   0.106
  535   1HH2  ARG  66          1HH2      ARG  66  14.131  -4.664   2.310
  536   2HH2  ARG  66          2HH2      ARG  66  15.064  -5.123   0.906
  537    H    VAL  67           H        VAL  67  10.922  -2.857   5.354
  538    HA   VAL  67           HA       VAL  67  13.521  -2.032   4.249
  539    HB   VAL  67           HB       VAL  67  10.683  -1.024   3.813
  540   1HG1  VAL  67          1HG1      VAL  67  12.335   0.757   3.336
  541   2HG1  VAL  67          2HG1      VAL  67  13.213  -0.351   2.256
  542   3HG1  VAL  67          3HG1      VAL  67  11.577   0.190   1.836
  543   1HG2  VAL  67          1HG2      VAL  67  11.086  -3.289   2.877
  544   2HG2  VAL  67          2HG2      VAL  67  10.884  -2.098   1.574
  545   3HG2  VAL  67          3HG2      VAL  67  12.509  -2.671   2.005
  546    H    LYS  68           H        LYS  68  13.316  -1.991   7.072
  547    HA   LYS  68           HA       LYS  68  14.469   0.424   7.691
  548   1HB   LYS  68          1HB       LYS  68  11.585   0.650   7.845
  549   2HB   LYS  68          2HB       LYS  68  12.320   0.780   9.461
  550   1HG   LYS  68          1HG       LYS  68  13.956   2.454   8.226
  551   2HG   LYS  68          2HG       LYS  68  12.600   2.585   7.082
  552   1HD   LYS  68          1HD       LYS  68  11.066   3.203   8.843
  553   2HD   LYS  68          2HD       LYS  68  12.256   2.794  10.103
  554   1HE   LYS  68          1HE       LYS  68  13.633   4.619   8.508
  555   2HE   LYS  68          2HE       LYS  68  11.977   5.264   8.512
  556   1HZ   LYS  68          1HZ       LYS  68  13.518   4.484  10.886
  557   2HZ   LYS  68          2HZ       LYS  68  13.239   6.016  10.383
  558   3HZ   LYS  68          3HZ       LYS  68  11.992   5.097  10.890
  559    H    LYS  69           H        LYS  69  15.249   0.417   9.763
  560    HA   LYS  69           HA       LYS  69  15.109  -2.193  11.125
  561   1HB   LYS  69          1HB       LYS  69  17.184  -0.461  10.543
  562   2HB   LYS  69          2HB       LYS  69  16.840  -0.093  12.251
  563   1HG   LYS  69          1HG       LYS  69  16.923  -2.543  12.751
  564   2HG   LYS  69          2HG       LYS  69  17.386  -2.842  11.057
  565   1HD   LYS  69          1HD       LYS  69  19.411  -1.473  11.365
  566   2HD   LYS  69          2HD       LYS  69  18.947  -1.161  13.055
  567   1HE   LYS  69          1HE       LYS  69  18.800  -3.938  12.873
  568   2HE   LYS  69          2HE       LYS  69  20.207  -3.549  11.858
  569   1HZ   LYS  69          1HZ       LYS  69  21.060  -2.253  13.685
  570   2HZ   LYS  69          2HZ       LYS  69  19.750  -2.641  14.600
  571   3HZ   LYS  69          3HZ       LYS  69  20.801  -3.794  14.146
  572    H    MET  70           H        MET  70  15.405  -1.739  13.694
  573    HA   MET  70           HA       MET  70  12.908  -1.006  14.699
  574   1HB   MET  70          1HB       MET  70  13.991  -1.154  16.895
  575   2HB   MET  70          2HB       MET  70  14.446  -2.497  15.820
  576   1HG   MET  70          1HG       MET  70  16.545  -2.069  16.529
  577   2HG   MET  70          2HG       MET  70  16.495  -0.737  15.362
  578   1HE   MET  70          1HE       MET  70  18.391  -1.025  17.903
  579   2HE   MET  70          2HE       MET  70  17.799  -0.291  19.418
  580   3HE   MET  70          3HE       MET  70  17.105  -1.828  18.837

  No H/Q in entry =         580
  Start of MODEL   11
    1    H1   ALA   1           H1       ALA   1  -1.904  17.597   1.189
    2    H2   ALA   1           H2       ALA   1  -2.312  16.691   2.491
    3    H3   ALA   1           H3       ALA   1  -2.482  16.084   0.986
    4    HA   ALA   1           HA       ALA   1  -4.619  16.695   1.795
    5   1HB   ALA   1          1HB       ALA   1  -3.305  19.410   2.217
    6   2HB   ALA   1          2HB       ALA   1  -3.763  18.260   3.496
    7   3HB   ALA   1          3HB       ALA   1  -5.022  19.026   2.497
    8    H    SER   2           H        SER   2  -4.996  16.083  -0.288
    9    HA   SER   2           HA       SER   2  -6.193  17.664  -2.103
   10   1HB   SER   2          1HB       SER   2  -3.251  17.732  -2.600
   11   2HB   SER   2          2HB       SER   2  -4.270  17.345  -4.007
   12    HG   SER   2           HG       SER   2  -3.820  19.730  -3.351
   13    H    ASN   3           H        ASN   3  -7.026  16.454  -3.842
   14    HA   ASN   3           HA       ASN   3  -6.506  13.569  -3.747
   15   1HB   ASN   3          1HB       ASN   3  -8.680  15.349  -4.624
   16   2HB   ASN   3          2HB       ASN   3  -8.332  14.050  -5.785
   17   2HD2  ASN   3          2HD2      ASN   3  -9.806  12.517  -5.500
   18   1HD2  ASN   3          1HD2      ASN   3 -10.241  11.781  -3.973
   19    H    TYR   4           H        TYR   4  -5.111  12.580  -5.033
   20    HA   TYR   4           HA       TYR   4  -4.558  13.740  -7.700
   21   1HB   TYR   4          1HB       TYR   4  -2.785  13.622  -5.456
   22   2HB   TYR   4          2HB       TYR   4  -2.222  12.440  -6.650
   23    HD1  TYR   4           HD1      TYR   4  -3.177  16.056  -6.196
   24    HD2  TYR   4           HD2      TYR   4  -1.241  13.091  -8.705
   25    HE1  TYR   4           HE1      TYR   4  -1.900  17.866  -7.365
   26    HE2  TYR   4           HE2      TYR   4  -0.019  14.920  -9.917
   27    HH   TYR   4           HH       TYR   4   0.259  17.084 -10.136
   28    H    ASP   5           H        ASP   5  -4.945  12.319  -9.271
   29    HA   ASP   5           HA       ASP   5  -5.180   9.459  -8.613
   30   1HB   ASP   5          1HB       ASP   5  -6.809  10.947 -10.058
   31   2HB   ASP   5          2HB       ASP   5  -5.614  10.666 -11.341
   32    HD2  ASP   5           HD2      ASP   5  -6.458   7.268 -11.533
   33    H    CYS   6           H        CYS   6  -2.599  10.377  -8.302
   34    HA   CYS   6           HA       CYS   6  -0.903  10.453 -10.482
   35   1HB   CYS   6          1HB       CYS   6   0.773   9.590  -8.740
   36   2HB   CYS   6          2HB       CYS   6  -0.007  11.181  -8.554
   37    H    CYS   7           H        CYS   7  -0.603   7.553  -8.353
   38    HA   CYS   7           HA       CYS   7   0.088   5.745 -10.362
   39   1HB   CYS   7          1HB       CYS   7   0.164   4.348  -8.634
   40   2HB   CYS   7          2HB       CYS   7  -0.207   5.785  -7.649
   41    H    LEU   8           H        LEU   8  -1.475   3.689 -10.738
   42    HA   LEU   8           HA       LEU   8  -3.260   4.181 -12.696
   43   1HB   LEU   8          1HB       LEU   8  -2.349   1.986 -11.422
   44   2HB   LEU   8          2HB       LEU   8  -4.011   2.008 -10.786
   45    HG   LEU   8           HG       LEU   8  -3.704   2.510 -13.699
   46   1HD1  LEU   8          1HD1      LEU   8  -2.021   0.763 -13.347
   47   2HD1  LEU   8          2HD1      LEU   8  -3.226  -0.245 -12.513
   48   3HD1  LEU   8          3HD1      LEU   8  -3.420   0.124 -14.243
   49   1HD2  LEU   8          1HD2      LEU   8  -5.918   2.410 -12.652
   50   2HD2  LEU   8          2HD2      LEU   8  -5.725   1.103 -13.841
   51   3HD2  LEU   8          3HD2      LEU   8  -5.596   0.748 -12.103
   52    H    SER   9           H        SER   9  -4.253   3.737  -9.252
   53    HA   SER   9           HA       SER   9  -5.888   5.922  -9.002
   54   1HB   SER   9          1HB       SER   9  -7.245   4.018 -10.604
   55   2HB   SER   9          2HB       SER   9  -7.948   3.877  -8.975
   56    HG   SER   9           HG       SER   9  -8.765   5.628 -10.544
   57    H    TYR  10           H        TYR  10  -7.143   5.860  -7.003
   58    HA   TYR  10           HA       TYR  10  -5.972   4.606  -4.773
   59   1HB   TYR  10          1HB       TYR  10  -7.569   6.608  -4.947
   60   2HB   TYR  10          2HB       TYR  10  -8.877   5.423  -5.085
   61    HD1  TYR  10           HD1      TYR  10  -6.740   7.280  -2.858
   62    HD2  TYR  10           HD2      TYR  10  -9.272   3.788  -3.141
   63    HE1  TYR  10           HE1      TYR  10  -6.864   7.160  -0.368
   64    HE2  TYR  10           HE2      TYR  10  -9.321   3.612  -0.640
   65    HH   TYR  10           HH       TYR  10  -8.641   4.444   1.231
   66    H    ILE  11           H        ILE  11  -6.714   2.845  -3.472
   67    HA   ILE  11           HA       ILE  11  -7.619   0.534  -4.822
   68    HB   ILE  11           HB       ILE  11  -6.085   0.568  -2.872
   69   1HG1  ILE  11          1HG1      ILE  11  -8.467  -1.037  -2.063
   70   2HG1  ILE  11          2HG1      ILE  11  -7.853  -1.249  -3.719
   71   1HG2  ILE  11          1HG2      ILE  11  -8.576   1.093  -1.209
   72   2HG2  ILE  11          2HG2      ILE  11  -6.986   0.635  -0.566
   73   3HG2  ILE  11          3HG2      ILE  11  -7.188   2.195  -1.389
   74   1HD1  ILE  11          1HD1      ILE  11  -6.267  -1.635  -1.171
   75   2HD1  ILE  11          2HD1      ILE  11  -6.908  -2.935  -2.196
   76   3HD1  ILE  11          3HD1      ILE  11  -5.655  -1.849  -2.828
   77    H    GLN  12           H        GLN  12  -9.512   0.857  -5.822
   78    HA   GLN  12           HA       GLN  12 -11.811   1.978  -4.815
   79   1HB   GLN  12          1HB       GLN  12 -13.029   0.630  -6.473
   80   2HB   GLN  12          2HB       GLN  12 -11.539   1.326  -7.149
   81   1HG   GLN  12          1HG       GLN  12 -10.396  -0.792  -7.008
   82   2HG   GLN  12          2HG       GLN  12 -11.725  -1.511  -6.073
   83   2HE2  GLN  12          2HE2      GLN  12 -12.652  -2.996  -7.308
   84   1HE2  GLN  12          1HE2      GLN  12 -13.135  -2.800  -8.979
   85    H    THR  13           H        THR  13 -10.322  -0.924  -3.801
   86    HA   THR  13           HA       THR  13 -12.302  -1.438  -1.823
   87    HB   THR  13           HB       THR  13 -12.183  -3.131  -4.216
   88    HG1  THR  13           HG1      THR  13 -14.415  -3.345  -3.376
   89   1HG2  THR  13          1HG2      THR  13 -12.545  -4.471  -1.525
   90   2HG2  THR  13          2HG2      THR  13 -12.920  -5.201  -3.098
   91   3HG2  THR  13          3HG2      THR  13 -11.242  -4.798  -2.694
   92    HA   PRO  14           HA       PRO  14  -8.426  -2.301   0.109
   93   1HB   PRO  14          1HB       PRO  14  -9.601  -2.499   2.660
   94   2HB   PRO  14          2HB       PRO  14  -8.948  -1.020   1.883
   95   1HG   PRO  14          1HG       PRO  14 -11.738  -1.804   2.328
   96   2HG   PRO  14          2HG       PRO  14 -11.042  -0.168   2.092
   97   1HD   PRO  14          1HD       PRO  14 -12.455  -1.717   0.186
   98   2HD   PRO  14          2HD       PRO  14 -11.434  -0.288  -0.164
   99    H    LEU  15           H        LEU  15  -7.491  -4.283   0.083
  100    HA   LEU  15           HA       LEU  15  -9.212  -6.552   0.828
  101   1HB   LEU  15          1HB       LEU  15  -7.553  -7.849  -0.659
  102   2HB   LEU  15          2HB       LEU  15  -8.847  -6.880  -1.404
  103    HG   LEU  15           HG       LEU  15  -6.276  -5.440  -1.033
  104   1HD1  LEU  15          1HD1      LEU  15  -6.652  -7.798  -2.940
  105   2HD1  LEU  15          2HD1      LEU  15  -5.266  -6.677  -2.927
  106   3HD1  LEU  15          3HD1      LEU  15  -5.549  -7.765  -1.544
  107   1HD2  LEU  15          1HD2      LEU  15  -8.135  -5.942  -3.399
  108   2HD2  LEU  15          2HD2      LEU  15  -8.197  -4.530  -2.317
  109   3HD2  LEU  15          3HD2      LEU  15  -6.782  -4.787  -3.366
  110    HA   PRO  16           HA       PRO  16  -6.460  -7.440   4.109
  111   1HB   PRO  16          1HB       PRO  16  -6.379 -10.176   4.304
  112   2HB   PRO  16          2HB       PRO  16  -7.805  -9.182   4.741
  113   1HG   PRO  16          1HG       PRO  16  -7.320 -10.739   2.218
  114   2HG   PRO  16          2HG       PRO  16  -8.830 -10.615   3.178
  115   1HD   PRO  16          1HD       PRO  16  -8.332  -9.161   0.872
  116   2HD   PRO  16          2HD       PRO  16  -9.361  -8.553   2.204
  117    H    SER  17           H        SER  17  -4.253  -7.911   4.628
  118    HA   SER  17           HA       SER  17  -2.409  -7.919   2.506
  119   1HB   SER  17          1HB       SER  17  -0.682  -8.217   4.193
  120   2HB   SER  17          2HB       SER  17  -1.891  -7.033   4.744
  121    HG   SER  17           HG       SER  17  -1.241  -8.729   6.341
  122    H    ARG  18           H        ARG  18  -4.176 -10.519   3.789
  123    HA   ARG  18           HA       ARG  18  -2.408 -12.705   3.341
  124   1HB   ARG  18          1HB       ARG  18  -4.744 -12.447   4.604
  125   2HB   ARG  18          2HB       ARG  18  -5.389 -12.941   3.020
  126   1HG   ARG  18          1HG       ARG  18  -4.030 -14.942   3.014
  127   2HG   ARG  18          2HG       ARG  18  -3.151 -14.411   4.467
  128   1HD   ARG  18          1HD       ARG  18  -4.650 -15.954   5.352
  129   2HD   ARG  18          2HD       ARG  18  -5.523 -14.423   5.584
  130    HE   ARG  18           HE       ARG  18  -6.144 -15.620   3.060
  131   1HH1  ARG  18          1HH1      ARG  18  -8.158 -16.656   2.744
  132   2HH1  ARG  18          2HH1      ARG  18  -9.116 -17.133   4.126
  133   1HH2  ARG  18          1HH2      ARG  18  -6.868 -15.910   6.503
  134   2HH2  ARG  18          2HH2      ARG  18  -8.394 -16.715   6.236
  135    H    ALA  19           H        ALA  19  -3.959 -10.551   1.161
  136    HA   ALA  19           HA       ALA  19  -3.715 -12.473  -1.093
  137   1HB   ALA  19          1HB       ALA  19  -5.262 -10.946  -2.262
  138   2HB   ALA  19          2HB       ALA  19  -5.977 -11.551  -0.747
  139   3HB   ALA  19          3HB       ALA  19  -5.321  -9.898  -0.822
  140    H    ILE  20           H        ILE  20  -1.797 -10.273   0.495
  141    HA   ILE  20           HA       ILE  20  -0.883  -8.873  -1.935
  142    HB   ILE  20           HB       ILE  20  -0.780  -8.295   1.023
  143   1HG1  ILE  20          1HG1      ILE  20  -1.545  -6.041   0.194
  144   2HG1  ILE  20          2HG1      ILE  20  -1.705  -6.773  -1.421
  145   1HG2  ILE  20          1HG2      ILE  20   1.496  -7.927   0.160
  146   2HG2  ILE  20          2HG2      ILE  20   0.840  -6.898  -1.135
  147   3HG2  ILE  20          3HG2      ILE  20   0.716  -6.381   0.560
  148   1HD1  ILE  20          1HD1      ILE  20  -3.302  -7.518   1.037
  149   2HD1  ILE  20          2HD1      ILE  20  -3.901  -6.551  -0.319
  150   3HD1  ILE  20          3HD1      ILE  20  -3.463  -8.248  -0.579
  151    H    VAL  21           H        VAL  21   0.753  -9.674  -2.891
  152    HA   VAL  21           HA       VAL  21   2.551 -11.471  -1.437
  153    HB   VAL  21           HB       VAL  21   3.396 -12.144  -3.630
  154   1HG1  VAL  21          1HG1      VAL  21   1.670 -13.413  -2.447
  155   2HG1  VAL  21          2HG1      VAL  21   0.402 -12.452  -3.245
  156   3HG1  VAL  21          3HG1      VAL  21   1.436 -13.531  -4.204
  157   1HG2  VAL  21          1HG2      VAL  21   2.855 -10.228  -5.029
  158   2HG2  VAL  21          2HG2      VAL  21   2.139 -11.703  -5.701
  159   3HG2  VAL  21          3HG2      VAL  21   1.119 -10.553  -4.820
  160    H    GLY  22           H        GLY  22   2.664  -8.499  -3.424
  161   1HA   GLY  22          1HA       GLY  22   5.123  -7.801  -3.933
  162   2HA   GLY  22          2HA       GLY  22   5.228  -7.788  -2.158
  163    H    PHE  23           H        PHE  23   5.274  -5.619  -1.648
  164    HA   PHE  23           HA       PHE  23   3.599  -3.780  -3.125
  165   1HB   PHE  23          1HB       PHE  23   2.521  -2.872  -1.164
  166   2HB   PHE  23          2HB       PHE  23   2.110  -4.583  -1.367
  167    HD1  PHE  23           HD1      PHE  23   3.170  -6.315   0.116
  168    HD2  PHE  23           HD2      PHE  23   3.632  -2.059   0.720
  169    HE1  PHE  23           HE1      PHE  23   4.078  -6.760   2.407
  170    HE2  PHE  23           HE2      PHE  23   4.473  -2.507   3.029
  171    HZ   PHE  23           HZ       PHE  23   4.738  -4.829   3.816
  172    H    THR  24           H        THR  24   3.909  -1.519  -2.366
  173    HA   THR  24           HA       THR  24   6.540  -0.999  -1.097
  174    HB   THR  24           HB       THR  24   5.758   0.291  -3.722
  175    HG1  THR  24           HG1      THR  24   7.246  -1.411  -4.660
  176   1HG2  THR  24          1HG2      THR  24   8.443  -0.285  -2.404
  177   2HG2  THR  24          2HG2      THR  24   8.209   0.570  -3.945
  178   3HG2  THR  24          3HG2      THR  24   7.616   1.291  -2.433
  179    H    ARG  25           H        ARG  25   6.811   1.489  -1.004
  180    HA   ARG  25           HA       ARG  25   4.352   2.598   0.224
  181   1HB   ARG  25          1HB       ARG  25   7.336   3.154   0.502
  182   2HB   ARG  25          2HB       ARG  25   6.064   4.102   1.308
  183   1HG   ARG  25          1HG       ARG  25   5.814   1.198   1.737
  184   2HG   ARG  25          2HG       ARG  25   7.330   1.883   2.369
  185   1HD   ARG  25          1HD       ARG  25   4.525   2.892   2.991
  186   2HD   ARG  25          2HD       ARG  25   5.544   1.921   4.076
  187    HE   ARG  25           HE       ARG  25   5.770   4.733   3.460
  188   1HH1  ARG  25          1HH1      ARG  25   7.306   6.016   4.433
  189   2HH1  ARG  25          2HH1      ARG  25   8.661   5.291   5.270
  190   1HH2  ARG  25          1HH2      ARG  25   7.667   2.009   4.680
  191   2HH2  ARG  25          2HH2      ARG  25   8.866   3.043   5.410
  192    H    GLN  26           H        GLN  26   3.412   4.383  -0.708
  193    HA   GLN  26           HA       GLN  26   5.026   5.867  -2.717
  194   1HB   GLN  26          1HB       GLN  26   2.930   4.438  -3.385
  195   2HB   GLN  26          2HB       GLN  26   2.031   5.811  -2.693
  196   1HG   GLN  26          1HG       GLN  26   2.980   7.323  -4.316
  197   2HG   GLN  26          2HG       GLN  26   4.055   6.049  -4.936
  198   2HE2  GLN  26          2HE2      GLN  26   0.572   6.184  -4.042
  199   1HE2  GLN  26          1HE2      GLN  26  -0.032   5.558  -5.562
  200    H    MET  27           H        MET  27   5.795   7.332  -1.384
  201    HA   MET  27           HA       MET  27   4.315   8.789   0.579
  202   1HB   MET  27          1HB       MET  27   6.810   9.816  -0.780
  203   2HB   MET  27          2HB       MET  27   6.267  10.053   0.899
  204   1HG   MET  27          1HG       MET  27   7.754   8.461   1.447
  205   2HG   MET  27          2HG       MET  27   6.624   7.302   0.728
  206   1HE   MET  27          1HE       MET  27   8.507   5.570   0.048
  207   2HE   MET  27          2HE       MET  27   7.258   5.800  -1.199
  208   3HE   MET  27          3HE       MET  27   8.968   5.656  -1.667
  209    H    ALA  28           H        ALA  28   3.772  11.034   0.530
  210    HA   ALA  28           HA       ALA  28   2.673  11.945  -2.024
  211   1HB   ALA  28          1HB       ALA  28   1.565  13.598  -0.557
  212   2HB   ALA  28          2HB       ALA  28   1.322  11.941   0.050
  213   3HB   ALA  28          3HB       ALA  28   2.513  13.008   0.831
  214    H    ASP  29           H        ASP  29   4.251  12.789  -3.308
  215    HA   ASP  29           HA       ASP  29   5.296  15.283  -2.963
  216   1HB   ASP  29          1HB       ASP  29   6.946  13.354  -1.539
  217   2HB   ASP  29          2HB       ASP  29   7.855  14.119  -2.860
  218    HD2  ASP  29           HD2      ASP  29   8.450  16.401  -0.337
  219    H    GLU  30           H        GLU  30   6.644  12.131  -4.015
  220    HA   GLU  30           HA       GLU  30   7.865  13.082  -6.392
  221   1HB   GLU  30          1HB       GLU  30   8.064  10.855  -4.915
  222   2HB   GLU  30          2HB       GLU  30   6.967  10.236  -6.172
  223   1HG   GLU  30          1HG       GLU  30   8.886  11.685  -7.603
  224   2HG   GLU  30          2HG       GLU  30   9.827  10.879  -6.328
  225    H    ALA  31           H        ALA  31   6.655  10.850  -8.172
  226    HA   ALA  31           HA       ALA  31   4.845  12.255  -9.702
  227   1HB   ALA  31          1HB       ALA  31   4.299  10.041 -10.661
  228   2HB   ALA  31          2HB       ALA  31   6.050  10.214 -10.396
  229   3HB   ALA  31          3HB       ALA  31   5.071   9.246  -9.267
  230    H    CYS  32           H        CYS  32   4.304  10.738  -6.626
  231    HA   CYS  32           HA       CYS  32   1.403  11.024  -6.908
  232   1HB   CYS  32          1HB       CYS  32   3.048   9.173  -5.321
  233   2HB   CYS  32          2HB       CYS  32   1.727   9.967  -4.427
  234    H    ASP  33           H        ASP  33   0.309  12.407  -5.712
  235    HA   ASP  33           HA       ASP  33   1.863  14.222  -3.958
  236   1HB   ASP  33          1HB       ASP  33   0.672  15.175  -5.898
  237   2HB   ASP  33          2HB       ASP  33  -0.859  14.569  -5.231
  238    HD2  ASP  33           HD2      ASP  33   0.583  17.343  -2.823
  239    H    ILE  34           H        ILE  34  -0.060  11.505  -3.726
  240    HA   ILE  34           HA       ILE  34  -0.907  12.214  -1.015
  241    HB   ILE  34           HB       ILE  34  -2.803  10.595  -1.296
  242   1HG1  ILE  34          1HG1      ILE  34  -2.211  10.894  -4.242
  243   2HG1  ILE  34          2HG1      ILE  34  -2.044   9.408  -3.278
  244   1HG2  ILE  34          1HG2      ILE  34  -2.986  13.033  -1.211
  245   2HG2  ILE  34          2HG2      ILE  34  -2.742  13.126  -2.972
  246   3HG2  ILE  34          3HG2      ILE  34  -4.198  12.332  -2.316
  247   1HD1  ILE  34          1HD1      ILE  34  -4.643  10.892  -3.823
  248   2HD1  ILE  34          2HD1      ILE  34  -4.138   9.380  -4.604
  249   3HD1  ILE  34          3HD1      ILE  34  -4.475   9.403  -2.860
  250    H    ASN  35           H        ASN  35  -1.333  10.135   0.234
  251    HA   ASN  35           HA       ASN  35   1.101   8.465  -0.124
  252   1HB   ASN  35          1HB       ASN  35  -0.764   8.744   2.259
  253   2HB   ASN  35          2HB       ASN  35   0.794   7.891   2.214
  254   2HD2  ASN  35          2HD2      ASN  35  -0.857  10.851   2.611
  255   1HD2  ASN  35          1HD2      ASN  35   0.527  11.887   2.862
  256    H    ALA  36           H        ALA  36   0.830   6.458  -0.877
  257    HA   ALA  36           HA       ALA  36  -1.609   4.974  -0.284
  258   1HB   ALA  36          1HB       ALA  36  -2.073   4.402  -2.638
  259   2HB   ALA  36          2HB       ALA  36  -0.785   5.512  -3.161
  260   3HB   ALA  36          3HB       ALA  36  -2.236   6.150  -2.351
  261    H    ILE  37           H        ILE  37  -1.221   2.774  -0.083
  262    HA   ILE  37           HA       ILE  37   1.558   2.013  -0.447
  263    HB   ILE  37           HB       ILE  37  -0.777   0.450   0.631
  264   1HG1  ILE  37          1HG1      ILE  37  -0.645   2.248   2.049
  265   2HG1  ILE  37          2HG1      ILE  37   0.351   1.008   2.851
  266   1HG2  ILE  37          1HG2      ILE  37   1.040  -1.006  -0.095
  267   2HG2  ILE  37          2HG2      ILE  37   2.196  -0.078   0.890
  268   3HG2  ILE  37          3HG2      ILE  37   0.903  -1.009   1.678
  269   1HD1  ILE  37          1HD1      ILE  37   1.395   3.400   1.296
  270   2HD1  ILE  37          2HD1      ILE  37   1.379   3.255   3.063
  271   3HD1  ILE  37          3HD1      ILE  37   2.389   2.162   2.099
  272    H    ILE  38           H        ILE  38   2.310   1.439  -2.218
  273    HA   ILE  38           HA       ILE  38   0.731   0.594  -4.473
  274    HB   ILE  38           HB       ILE  38   3.727   0.767  -4.049
  275   1HG1  ILE  38          1HG1      ILE  38   1.947   2.524  -5.768
  276   2HG1  ILE  38          2HG1      ILE  38   2.315   2.918  -4.071
  277   1HG2  ILE  38          1HG2      ILE  38   3.128  -0.843  -5.842
  278   2HG2  ILE  38          2HG2      ILE  38   2.102   0.396  -6.604
  279   3HG2  ILE  38          3HG2      ILE  38   3.863   0.624  -6.528
  280   1HD1  ILE  38          1HD1      ILE  38   4.371   2.526  -6.291
  281   2HD1  ILE  38          2HD1      ILE  38   3.868   4.091  -5.614
  282   3HD1  ILE  38          3HD1      ILE  38   4.736   2.921  -4.595
  283    H    PHE  39           H        PHE  39  -0.331  -1.216  -3.620
  284    HA   PHE  39           HA       PHE  39   1.104  -3.619  -2.787
  285   1HB   PHE  39          1HB       PHE  39  -1.811  -2.973  -3.246
  286   2HB   PHE  39          2HB       PHE  39  -1.229  -4.607  -2.880
  287    HD1  PHE  39           HD1      PHE  39   0.380  -4.795  -0.857
  288    HD2  PHE  39           HD2      PHE  39  -2.435  -1.554  -1.381
  289    HE1  PHE  39           HE1      PHE  39   0.186  -4.584   1.609
  290    HE2  PHE  39           HE2      PHE  39  -2.590  -1.328   1.103
  291    HZ   PHE  39           HZ       PHE  39  -1.293  -2.836   2.585
  292    H    HIS  40           H        HIS  40   0.908  -5.635  -3.902
  293    HA   HIS  40           HA       HIS  40   0.139  -5.620  -6.753
  294   1HB   HIS  40          1HB       HIS  40   2.822  -6.664  -5.761
  295   2HB   HIS  40          2HB       HIS  40   2.272  -6.487  -7.438
  296    HD1  HIS  40           HD1      HIS  40   1.828  -3.739  -8.017
  297    HD2  HIS  40           HD2      HIS  40   4.279  -4.725  -4.862
  298    HE1  HIS  40           HE1      HIS  40   3.465  -1.801  -7.765
  299    HE2  HIS  40           HE2      HIS  40   4.657  -2.300  -5.546
  300    H    THR  41           H        THR  41  -1.562  -6.841  -5.624
  301    HA   THR  41           HA       THR  41  -1.044  -9.297  -4.229
  302    HB   THR  41           HB       THR  41  -3.513  -9.565  -4.658
  303    HG1  THR  41           HG1      THR  41  -4.454  -7.614  -5.765
  304   1HG2  THR  41          1HG2      THR  41  -2.618  -6.781  -3.796
  305   2HG2  THR  41          2HG2      THR  41  -4.191  -7.529  -3.428
  306   3HG2  THR  41          3HG2      THR  41  -2.698  -8.216  -2.746
  307    H    LYS  42           H        LYS  42  -2.159 -11.376  -5.169
  308    HA   LYS  42           HA       LYS  42  -0.732 -11.921  -7.676
  309   1HB   LYS  42          1HB       LYS  42  -0.717 -13.354  -5.516
  310   2HB   LYS  42          2HB       LYS  42  -2.318 -13.913  -6.058
  311   1HG   LYS  42          1HG       LYS  42  -0.865 -15.532  -6.940
  312   2HG   LYS  42          2HG       LYS  42  -1.129 -14.434  -8.317
  313   1HD   LYS  42          1HD       LYS  42   1.001 -13.288  -7.770
  314   2HD   LYS  42          2HD       LYS  42   1.271 -14.461  -6.460
  315   1HE   LYS  42          1HE       LYS  42   1.025 -15.128  -9.425
  316   2HE   LYS  42          2HE       LYS  42   2.540 -15.065  -8.499
  317   1HZ   LYS  42          1HZ       LYS  42   0.305 -16.877  -7.991
  318   2HZ   LYS  42          2HZ       LYS  42   1.701 -17.273  -8.738
  319   3HZ   LYS  42          3HZ       LYS  42   1.729 -16.852  -7.164
  320    H    LYS  43           H        LYS  43  -3.738 -10.735  -6.911
  321    HA   LYS  43           HA       LYS  43  -4.874 -11.664  -9.464
  322   1HB   LYS  43          1HB       LYS  43  -5.691 -12.979  -7.321
  323   2HB   LYS  43          2HB       LYS  43  -6.677 -11.522  -7.054
  324   1HG   LYS  43          1HG       LYS  43  -8.156 -12.604  -8.400
  325   2HG   LYS  43          2HG       LYS  43  -7.138 -11.934  -9.698
  326   1HD   LYS  43          1HD       LYS  43  -5.779 -14.082  -9.591
  327   2HD   LYS  43          2HD       LYS  43  -7.038 -14.733  -8.515
  328   1HE   LYS  43          1HE       LYS  43  -8.673 -13.913 -10.427
  329   2HE   LYS  43          2HE       LYS  43  -7.212 -13.996 -11.436
  330   1HZ   LYS  43          1HZ       LYS  43  -6.954 -16.282 -10.660
  331   2HZ   LYS  43          2HZ       LYS  43  -8.370 -16.155  -9.841
  332   3HZ   LYS  43          3HZ       LYS  43  -8.349 -16.046 -11.470
  333    H    ARG  44           H        ARG  44  -3.564  -9.160  -8.681
  334    HA   ARG  44           HA       ARG  44  -5.421  -7.311  -9.800
  335   1HB   ARG  44          1HB       ARG  44  -5.676  -7.626  -7.029
  336   2HB   ARG  44          2HB       ARG  44  -4.624  -6.203  -7.223
  337   1HG   ARG  44          1HG       ARG  44  -6.313  -5.009  -8.407
  338   2HG   ARG  44          2HG       ARG  44  -7.323  -6.467  -8.573
  339   1HD   ARG  44          1HD       ARG  44  -6.581  -6.036  -5.776
  340   2HD   ARG  44          2HD       ARG  44  -7.376  -4.591  -6.437
  341    HE   ARG  44           HE       ARG  44  -8.568  -7.157  -5.901
  342   1HH1  ARG  44          1HH1      ARG  44 -10.767  -7.478  -6.332
  343   2HH1  ARG  44          2HH1      ARG  44 -11.620  -6.373  -7.385
  344   1HH2  ARG  44          1HH2      ARG  44  -8.852  -4.340  -7.997
  345   2HH2  ARG  44          2HH2      ARG  44 -10.547  -4.609  -8.320
  346    H    LYS  45           H        LYS  45  -4.259  -5.907 -10.833
  347    HA   LYS  45           HA       LYS  45  -1.394  -5.933 -10.836
  348   1HB   LYS  45          1HB       LYS  45  -3.586  -4.494 -12.237
  349   2HB   LYS  45          2HB       LYS  45  -2.034  -3.632 -12.128
  350   1HG   LYS  45          1HG       LYS  45  -1.985  -4.883 -14.176
  351   2HG   LYS  45          2HG       LYS  45  -0.922  -5.734 -13.031
  352   1HD   LYS  45          1HD       LYS  45  -2.977  -7.186 -12.494
  353   2HD   LYS  45          2HD       LYS  45  -3.687  -6.500 -13.974
  354   1HE   LYS  45          1HE       LYS  45  -2.148  -7.566 -15.366
  355   2HE   LYS  45          2HE       LYS  45  -0.916  -7.686 -14.092
  356   1HZ   LYS  45          1HZ       LYS  45  -2.352  -9.246 -12.974
  357   2HZ   LYS  45          2HZ       LYS  45  -3.442  -9.169 -14.205
  358   3HZ   LYS  45          3HZ       LYS  45  -1.953  -9.784 -14.459
  359    H    SER  46           H        SER  46  -0.491  -3.362 -10.869
  360    HA   SER  46           HA       SER  46   0.172  -2.714  -8.309
  361   1HB   SER  46          1HB       SER  46   0.081  -0.248  -9.546
  362   2HB   SER  46          2HB       SER  46   1.432  -1.405  -9.624
  363    HG   SER  46           HG       SER  46   0.710  -0.647 -11.732
  364    H    VAL  47           H        VAL  47  -1.023  -2.412  -6.643
  365    HA   VAL  47           HA       VAL  47  -3.608  -0.974  -6.891
  366    HB   VAL  47           HB       VAL  47  -2.554  -3.276  -5.333
  367   1HG1  VAL  47          1HG1      VAL  47  -3.128  -1.788  -3.494
  368   2HG1  VAL  47          2HG1      VAL  47  -4.746  -1.538  -4.194
  369   3HG1  VAL  47          3HG1      VAL  47  -4.275  -3.137  -3.589
  370   1HG2  VAL  47          1HG2      VAL  47  -4.055  -3.557  -7.257
  371   2HG2  VAL  47          2HG2      VAL  47  -4.828  -4.137  -5.765
  372   3HG2  VAL  47          3HG2      VAL  47  -5.288  -2.562  -6.448
  373    H    CYS  48           H        CYS  48  -4.009   0.806  -5.527
  374    HA   CYS  48           HA       CYS  48  -1.678   1.618  -3.876
  375   1HB   CYS  48          1HB       CYS  48  -3.439   3.473  -5.503
  376   2HB   CYS  48          2HB       CYS  48  -2.070   3.941  -4.464
  377    H    ALA  49           H        ALA  49  -2.315   1.456  -1.807
  378    HA   ALA  49           HA       ALA  49  -5.101   2.334  -1.228
  379   1HB   ALA  49          1HB       ALA  49  -4.636  -0.074  -1.103
  380   2HB   ALA  49          2HB       ALA  49  -4.985   0.606   0.508
  381   3HB   ALA  49          3HB       ALA  49  -3.305   0.234   0.037
  382    H    ASP  50           H        ASP  50  -5.314   4.194  -0.077
  383    HA   ASP  50           HA       ASP  50  -3.160   5.643   0.927
  384   1HB   ASP  50          1HB       ASP  50  -5.981   5.865   0.870
  385   2HB   ASP  50          2HB       ASP  50  -5.488   6.079   2.564
  386    HD2  ASP  50           HD2      ASP  50  -4.258   9.216   1.937
  387    HA   PRO  51           HA       PRO  51  -2.160   3.350   4.627
  388   1HB   PRO  51          1HB       PRO  51  -0.101   4.908   5.540
  389   2HB   PRO  51          2HB       PRO  51   0.021   3.786   4.145
  390   1HG   PRO  51          1HG       PRO  51  -0.372   6.753   4.127
  391   2HG   PRO  51          2HG       PRO  51   0.652   5.754   3.046
  392   1HD   PRO  51          1HD       PRO  51  -1.879   6.725   2.404
  393   2HD   PRO  51          2HD       PRO  51  -1.159   5.257   1.681
  394    H    LYS  52           H        LYS  52  -4.452   4.557   4.791
  395    HA   LYS  52           HA       LYS  52  -4.403   6.139   7.305
  396   1HB   LYS  52          1HB       LYS  52  -6.632   5.877   5.258
  397   2HB   LYS  52          2HB       LYS  52  -6.567   6.993   6.644
  398   1HG   LYS  52          1HG       LYS  52  -4.710   7.026   4.242
  399   2HG   LYS  52          2HG       LYS  52  -6.080   8.129   4.516
  400   1HD   LYS  52          1HD       LYS  52  -4.140   8.082   6.732
  401   2HD   LYS  52          2HD       LYS  52  -3.459   8.642   5.186
  402   1HE   LYS  52          1HE       LYS  52  -5.216  10.315   4.956
  403   2HE   LYS  52          2HE       LYS  52  -6.064   9.682   6.383
  404   1HZ   LYS  52          1HZ       LYS  52  -3.363  10.837   6.386
  405   2HZ   LYS  52          2HZ       LYS  52  -4.735  11.590   6.889
  406   3HZ   LYS  52          3HZ       LYS  52  -4.188  10.284   7.700
  407    H    GLN  53           H        GLN  53  -5.617   3.258   5.665
  408    HA   GLN  53           HA       GLN  53  -7.403   2.469   7.814
  409   1HB   GLN  53          1HB       GLN  53  -6.342   0.803   5.512
  410   2HB   GLN  53          2HB       GLN  53  -7.888   0.639   6.376
  411   1HG   GLN  53          1HG       GLN  53  -7.950   3.224   5.296
  412   2HG   GLN  53          2HG       GLN  53  -7.219   2.224   4.022
  413   2HE2  GLN  53          2HE2      GLN  53  -8.859   2.248   2.596
  414   1HE2  GLN  53          1HE2      GLN  53 -10.429   1.527   2.893
  415    H    ASN  54           H        ASN  54  -7.124   0.270   8.756
  416    HA   ASN  54           HA       ASN  54  -4.495   0.009   9.935
  417   1HB   ASN  54          1HB       ASN  54  -7.189  -0.698  10.594
  418   2HB   ASN  54          2HB       ASN  54  -6.203  -2.176  10.603
  419   2HD2  ASN  54          2HD2      ASN  54  -6.386  -2.325  12.861
  420   1HD2  ASN  54          1HD2      ASN  54  -5.470  -1.295  13.938
  421    H    TRP  55           H        TRP  55  -6.596  -2.012   7.764
  422    HA   TRP  55           HA       TRP  55  -4.946  -4.229   7.537
  423   1HB   TRP  55          1HB       TRP  55  -6.180  -4.761   5.577
  424   2HB   TRP  55          2HB       TRP  55  -7.293  -3.898   6.648
  425    HD1  TRP  55           HD1      TRP  55  -8.211  -1.568   5.787
  426    HE1  TRP  55           HE1      TRP  55  -8.076  -0.287   3.601
  427    HE3  TRP  55           HE3      TRP  55  -4.687  -4.398   3.539
  428    HZ2  TRP  55           HZ2      TRP  55  -6.808  -0.609   1.078
  429    HZ3  TRP  55           HZ3      TRP  55  -4.264  -4.089   1.105
  430    HH2  TRP  55           HH2      TRP  55  -5.340  -2.222  -0.118
  431    H    VAL  56           H        VAL  56  -4.883  -1.233   5.586
  432    HA   VAL  56           HA       VAL  56  -2.704  -1.799   3.923
  433    HB   VAL  56           HB       VAL  56  -4.204   0.604   4.862
  434   1HG1  VAL  56          1HG1      VAL  56  -1.585   0.792   3.308
  435   2HG1  VAL  56          2HG1      VAL  56  -2.725   2.128   3.551
  436   3HG1  VAL  56          3HG1      VAL  56  -1.848   1.456   4.938
  437   1HG2  VAL  56          1HG2      VAL  56  -4.665  -0.738   2.794
  438   2HG2  VAL  56          2HG2      VAL  56  -4.202   0.933   2.392
  439   3HG2  VAL  56          3HG2      VAL  56  -3.017  -0.383   2.228
  440    H    LYS  57           H        LYS  57  -2.712   0.385   6.763
  441    HA   LYS  57           HA       LYS  57  -0.032   0.609   7.076
  442   1HB   LYS  57          1HB       LYS  57  -2.388   1.237   8.572
  443   2HB   LYS  57          2HB       LYS  57  -1.160   0.587   9.683
  444   1HG   LYS  57          1HG       LYS  57  -0.191   2.528   7.646
  445   2HG   LYS  57          2HG       LYS  57  -1.276   3.186   8.894
  446   1HD   LYS  57          1HD       LYS  57   1.022   3.533   9.527
  447   2HD   LYS  57          2HD       LYS  57   0.250   2.376  10.638
  448   1HE   LYS  57          1HE       LYS  57   1.741   0.772  10.170
  449   2HE   LYS  57          2HE       LYS  57   1.640   1.063   8.421
  450   1HZ   LYS  57          1HZ       LYS  57   3.092   2.930   8.759
  451   2HZ   LYS  57          2HZ       LYS  57   3.226   2.541  10.349
  452   3HZ   LYS  57          3HZ       LYS  57   3.769   1.516   9.200
  453    H    ARG  58           H        ARG  58  -2.030  -2.156   8.105
  454    HA   ARG  58           HA       ARG  58  -0.137  -3.517   9.649
  455   1HB   ARG  58          1HB       ARG  58  -2.641  -4.146   8.239
  456   2HB   ARG  58          2HB       ARG  58  -1.512  -5.519   8.332
  457   1HG   ARG  58          1HG       ARG  58  -1.343  -5.237  10.766
  458   2HG   ARG  58          2HG       ARG  58  -2.423  -3.825  10.691
  459   1HD   ARG  58          1HD       ARG  58  -3.808  -5.633  11.334
  460   2HD   ARG  58          2HD       ARG  58  -4.139  -5.376   9.608
  461    HE   ARG  58           HE       ARG  58  -2.078  -7.336   9.989
  462   1HH1  ARG  58          1HH1      ARG  58  -2.538  -9.564   9.710
  463   2HH1  ARG  58          2HH1      ARG  58  -4.195 -10.112   9.674
  464   1HH2  ARG  58          1HH2      ARG  58  -5.585  -6.946  10.141
  465   2HH2  ARG  58          2HH2      ARG  58  -5.902  -8.648   9.915
  466    H    ALA  59           H        ALA  59  -0.782  -3.708   6.082
  467    HA   ALA  59           HA       ALA  59   1.233  -5.691   5.602
  468   1HB   ALA  59          1HB       ALA  59  -0.087  -3.629   3.808
  469   2HB   ALA  59          2HB       ALA  59   0.844  -5.051   3.270
  470   3HB   ALA  59          3HB       ALA  59  -0.693  -5.269   4.146
  471    H    VAL  60           H        VAL  60   1.166  -2.072   5.329
  472    HA   VAL  60           HA       VAL  60   3.914  -1.812   4.652
  473    HB   VAL  60           HB       VAL  60   1.776   0.004   5.610
  474   1HG1  VAL  60          1HG1      VAL  60   4.683   0.892   5.539
  475   2HG1  VAL  60          2HG1      VAL  60   3.281   1.973   5.660
  476   3HG1  VAL  60          3HG1      VAL  60   3.642   0.849   6.983
  477   1HG2  VAL  60          1HG2      VAL  60   2.215  -0.647   3.263
  478   2HG2  VAL  60          2HG2      VAL  60   2.513   1.092   3.514
  479   3HG2  VAL  60          3HG2      VAL  60   3.884  -0.042   3.410
  480    H    ASN  61           H        ASN  61   2.317  -2.113   7.814
  481    HA   ASN  61           HA       ASN  61   4.370  -1.429   9.489
  482   1HB   ASN  61          1HB       ASN  61   2.003  -2.121  10.061
  483   2HB   ASN  61          2HB       ASN  61   2.514  -3.812   9.867
  484   2HD2  ASN  61          2HD2      ASN  61   1.474  -2.386  12.186
  485   1HD2  ASN  61          1HD2      ASN  61   2.666  -2.584  13.450
  486    H    LEU  62           H        LEU  62   3.671  -4.823   8.413
  487    HA   LEU  62           HA       LEU  62   6.044  -5.963   9.333
  488   1HB   LEU  62          1HB       LEU  62   4.194  -6.659   7.050
  489   2HB   LEU  62          2HB       LEU  62   5.670  -7.608   7.355
  490    HG   LEU  62           HG       LEU  62   4.449  -7.215   9.888
  491   1HD1  LEU  62          1HD1      LEU  62   2.351  -6.626   8.721
  492   2HD1  LEU  62          2HD1      LEU  62   2.435  -8.144   7.794
  493   3HD1  LEU  62          3HD1      LEU  62   2.195  -8.190   9.557
  494   1HD2  LEU  62          1HD2      LEU  62   5.782  -9.157   9.148
  495   2HD2  LEU  62          2HD2      LEU  62   4.210  -9.674   9.804
  496   3HD2  LEU  62          3HD2      LEU  62   4.472  -9.639   8.043
  497    H    LEU  63           H        LEU  63   5.477  -4.142   6.314
  498    HA   LEU  63           HA       LEU  63   8.089  -4.560   5.201
  499   1HB   LEU  63          1HB       LEU  63   6.718  -3.829   3.592
  500   2HB   LEU  63          2HB       LEU  63   5.761  -2.821   4.703
  501    HG   LEU  63           HG       LEU  63   8.478  -1.843   4.001
  502   1HD1  LEU  63          1HD1      LEU  63   7.681  -2.630   1.818
  503   2HD1  LEU  63          2HD1      LEU  63   6.164  -1.726   2.040
  504   3HD1  LEU  63          3HD1      LEU  63   7.705  -0.853   1.881
  505   1HD2  LEU  63          1HD2      LEU  63   6.985  -0.620   5.520
  506   2HD2  LEU  63          2HD2      LEU  63   7.292   0.316   4.039
  507   3HD2  LEU  63          3HD2      LEU  63   5.746  -0.539   4.245
  508    H    SER  64           H        SER  64   6.750  -2.097   7.443
  509    HA   SER  64           HA       SER  64   8.844  -0.279   7.440
  510   1HB   SER  64          1HB       SER  64   6.502  -0.229   8.574
  511   2HB   SER  64          2HB       SER  64   7.320  -1.026   9.940
  512    HG   SER  64           HG       SER  64   7.317   1.258  10.179
  513    H    LEU  65           H        LEU  65   8.457  -3.378   9.254
  514    HA   LEU  65           HA       LEU  65  10.990  -3.102  10.610
  515   1HB   LEU  65          1HB       LEU  65   9.287  -5.559  10.084
  516   2HB   LEU  65          2HB       LEU  65  10.605  -5.419  11.273
  517    HG   LEU  65           HG       LEU  65   8.471  -3.365  11.421
  518   1HD1  LEU  65          1HD1      LEU  65   7.153  -5.346  10.899
  519   2HD1  LEU  65          2HD1      LEU  65   7.929  -6.232  12.231
  520   3HD1  LEU  65          3HD1      LEU  65   6.886  -4.833  12.581
  521   1HD2  LEU  65          1HD2      LEU  65  10.305  -3.380  13.029
  522   2HD2  LEU  65          2HD2      LEU  65   8.749  -3.657  13.843
  523   3HD2  LEU  65          3HD2      LEU  65   9.850  -5.020  13.549
  524    H    ARG  66           H        ARG  66   9.962  -4.344   7.465
  525    HA   ARG  66           HA       ARG  66  12.411  -5.781   6.912
  526   1HB   ARG  66          1HB       ARG  66  10.004  -6.213   6.064
  527   2HB   ARG  66          2HB       ARG  66  10.329  -4.899   4.908
  528   1HG   ARG  66          1HG       ARG  66  11.941  -7.456   5.164
  529   2HG   ARG  66          2HG       ARG  66  10.692  -7.136   3.937
  530   1HD   ARG  66          1HD       ARG  66  12.041  -5.177   3.167
  531   2HD   ARG  66          2HD       ARG  66  13.317  -5.664   4.303
  532    HE   ARG  66           HE       ARG  66  12.729  -7.885   2.731
  533   1HH1  ARG  66          1HH1      ARG  66  13.920  -8.432   0.885
  534   2HH1  ARG  66          2HH1      ARG  66  14.942  -7.245   0.106
  535   1HH2  ARG  66          1HH2      ARG  66  14.131  -4.664   2.310
  536   2HH2  ARG  66          2HH2      ARG  66  15.064  -5.123   0.906
  537    H    VAL  67           H        VAL  67  10.922  -2.857   5.354
  538    HA   VAL  67           HA       VAL  67  13.521  -2.032   4.249
  539    HB   VAL  67           HB       VAL  67  10.683  -1.024   3.813
  540   1HG1  VAL  67          1HG1      VAL  67  12.335   0.757   3.336
  541   2HG1  VAL  67          2HG1      VAL  67  13.213  -0.351   2.256
  542   3HG1  VAL  67          3HG1      VAL  67  11.577   0.190   1.836
  543   1HG2  VAL  67          1HG2      VAL  67  11.086  -3.289   2.877
  544   2HG2  VAL  67          2HG2      VAL  67  10.884  -2.098   1.574
  545   3HG2  VAL  67          3HG2      VAL  67  12.509  -2.671   2.005
  546    H    LYS  68           H        LYS  68  13.316  -1.991   7.072
  547    HA   LYS  68           HA       LYS  68  14.469   0.424   7.691
  548   1HB   LYS  68          1HB       LYS  68  11.585   0.650   7.845
  549   2HB   LYS  68          2HB       LYS  68  12.320   0.780   9.461
  550   1HG   LYS  68          1HG       LYS  68  13.956   2.454   8.226
  551   2HG   LYS  68          2HG       LYS  68  12.600   2.585   7.082
  552   1HD   LYS  68          1HD       LYS  68  11.066   3.203   8.843
  553   2HD   LYS  68          2HD       LYS  68  12.256   2.794  10.103
  554   1HE   LYS  68          1HE       LYS  68  13.633   4.619   8.508
  555   2HE   LYS  68          2HE       LYS  68  11.977   5.264   8.512
  556   1HZ   LYS  68          1HZ       LYS  68  13.518   4.484  10.886
  557   2HZ   LYS  68          2HZ       LYS  68  13.239   6.016  10.383
  558   3HZ   LYS  68          3HZ       LYS  68  11.992   5.097  10.890
  559    H    LYS  69           H        LYS  69  15.249   0.417   9.763
  560    HA   LYS  69           HA       LYS  69  15.109  -2.193  11.125
  561   1HB   LYS  69          1HB       LYS  69  17.184  -0.461  10.543
  562   2HB   LYS  69          2HB       LYS  69  16.840  -0.093  12.251
  563   1HG   LYS  69          1HG       LYS  69  16.923  -2.543  12.751
  564   2HG   LYS  69          2HG       LYS  69  17.386  -2.842  11.057
  565   1HD   LYS  69          1HD       LYS  69  19.411  -1.473  11.365
  566   2HD   LYS  69          2HD       LYS  69  18.947  -1.161  13.055
  567   1HE   LYS  69          1HE       LYS  69  18.800  -3.938  12.873
  568   2HE   LYS  69          2HE       LYS  69  20.207  -3.549  11.858
  569   1HZ   LYS  69          1HZ       LYS  69  21.060  -2.253  13.685
  570   2HZ   LYS  69          2HZ       LYS  69  19.750  -2.641  14.600
  571   3HZ   LYS  69          3HZ       LYS  69  20.801  -3.794  14.146
  572    H    MET  70           H        MET  70  15.405  -1.739  13.694
  573    HA   MET  70           HA       MET  70  12.908  -1.006  14.699
  574   1HB   MET  70          1HB       MET  70  13.991  -1.154  16.895
  575   2HB   MET  70          2HB       MET  70  14.446  -2.497  15.820
  576   1HG   MET  70          1HG       MET  70  16.545  -2.069  16.529
  577   2HG   MET  70          2HG       MET  70  16.495  -0.737  15.362
  578   1HE   MET  70          1HE       MET  70  18.391  -1.025  17.903
  579   2HE   MET  70          2HE       MET  70  17.799  -0.291  19.418
  580   3HE   MET  70          3HE       MET  70  17.105  -1.828  18.837

  No H/Q in entry =         580
  Start of MODEL   12
    1    H1   ALA   1           H1       ALA   1  -6.369  22.446  -8.865
    2    H2   ALA   1           H2       ALA   1  -7.031  21.991 -10.287
    3    H3   ALA   1           H3       ALA   1  -7.979  22.605  -9.111
    4    HA   ALA   1           HA       ALA   1  -8.280  20.264  -9.200
    5   1HB   ALA   1          1HB       ALA   1  -6.342  18.788  -8.754
    6   2HB   ALA   1          2HB       ALA   1  -6.073  19.781 -10.207
    7   3HB   ALA   1          3HB       ALA   1  -5.278  20.212  -8.673
    8    H    SER   2           H        SER   2  -8.744  19.009  -7.351
    9    HA   SER   2           HA       SER   2  -7.878  20.128  -4.756
   10   1HB   SER   2          1HB       SER   2 -10.235  20.853  -5.699
   11   2HB   SER   2          2HB       SER   2 -10.726  19.233  -5.150
   12    HG   SER   2           HG       SER   2 -10.990  20.850  -3.474
   13    H    ASN   3           H        ASN   3  -7.316  17.625  -6.455
   14    HA   ASN   3           HA       ASN   3  -7.158  15.711  -4.378
   15   1HB   ASN   3          1HB       ASN   3  -9.642  15.695  -5.753
   16   2HB   ASN   3          2HB       ASN   3  -8.697  14.347  -6.424
   17   2HD2  ASN   3          2HD2      ASN   3  -7.737  12.806  -4.881
   18   1HD2  ASN   3          1HD2      ASN   3  -8.556  12.491  -3.362
   19    H    TYR   4           H        TYR   4  -5.611  14.230  -4.860
   20    HA   TYR   4           HA       TYR   4  -4.607  14.190  -7.636
   21   1HB   TYR   4          1HB       TYR   4  -3.342  14.449  -5.013
   22   2HB   TYR   4          2HB       TYR   4  -2.625  13.150  -5.982
   23    HD1  TYR   4           HD1      TYR   4  -1.768  13.608  -8.270
   24    HD2  TYR   4           HD2      TYR   4  -3.112  16.809  -5.672
   25    HE1  TYR   4           HE1      TYR   4  -0.125  15.165  -9.339
   26    HE2  TYR   4           HE2      TYR   4  -1.469  18.364  -6.761
   27    HH   TYR   4           HH       TYR   4   0.290  18.521  -8.155
   28    H    ASP   5           H        ASP   5  -5.413  12.508  -8.692
   29    HA   ASP   5           HA       ASP   5  -5.570   9.862  -7.341
   30   1HB   ASP   5          1HB       ASP   5  -7.561  10.957  -8.579
   31   2HB   ASP   5          2HB       ASP   5  -6.656  10.612 -10.069
   32    HD2  ASP   5           HD2      ASP   5  -7.025   7.099  -9.442
   33    H    CYS   6           H        CYS   6  -3.053  10.670  -7.683
   34    HA   CYS   6           HA       CYS   6  -1.714  10.385 -10.038
   35   1HB   CYS   6          1HB       CYS   6   0.214   9.839  -8.550
   36   2HB   CYS   6          2HB       CYS   6  -0.724  11.292  -8.119
   37    H    CYS   7           H        CYS   7  -1.586   7.652  -7.638
   38    HA   CYS   7           HA       CYS   7  -1.047   5.560  -9.381
   39   1HB   CYS   7          1HB       CYS   7  -2.175   4.247  -7.636
   40   2HB   CYS   7          2HB       CYS   7  -1.035   5.451  -6.983
   41    H    LEU   8           H        LEU   8  -2.422   4.039 -10.520
   42    HA   LEU   8           HA       LEU   8  -4.055   4.994 -12.353
   43   1HB   LEU   8          1HB       LEU   8  -3.133   2.584 -11.792
   44   2HB   LEU   8          2HB       LEU   8  -4.796   2.324 -11.211
   45    HG   LEU   8           HG       LEU   8  -4.393   1.515 -13.496
   46   1HD1  LEU   8          1HD1      LEU   8  -6.657   2.069 -12.843
   47   2HD1  LEU   8          2HD1      LEU   8  -6.428   3.743 -13.404
   48   3HD1  LEU   8          3HD1      LEU   8  -6.408   2.402 -14.568
   49   1HD2  LEU   8          1HD2      LEU   8  -2.754   3.137 -14.249
   50   2HD2  LEU   8          2HD2      LEU   8  -4.107   3.038 -15.397
   51   3HD2  LEU   8          3HD2      LEU   8  -4.000   4.409 -14.274
   52    H    SER   9           H        SER   9  -5.108   4.072  -9.171
   53    HA   SER   9           HA       SER   9  -7.073   5.883  -8.825
   54   1HB   SER   9          1HB       SER   9  -8.215   3.463 -10.064
   55   2HB   SER   9          2HB       SER   9  -8.963   3.921  -8.516
   56    HG   SER   9           HG       SER   9  -9.505   5.012 -10.835
   57    H    TYR  10           H        TYR  10  -7.437   5.992  -6.653
   58    HA   TYR  10           HA       TYR  10  -6.168   4.705  -4.617
   59   1HB   TYR  10          1HB       TYR  10  -7.877   6.639  -4.608
   60   2HB   TYR  10          2HB       TYR  10  -9.129   5.386  -4.560
   61    HD1  TYR  10           HD1      TYR  10  -9.186   3.769  -2.540
   62    HD2  TYR  10           HD2      TYR  10  -6.827   7.401  -2.662
   63    HE1  TYR  10           HE1      TYR  10  -8.885   3.648  -0.058
   64    HE2  TYR  10           HE2      TYR  10  -6.612   7.335  -0.172
   65    HH   TYR  10           HH       TYR  10  -7.163   6.227   1.719
   66    H    ILE  11           H        ILE  11  -6.543   2.820  -3.331
   67    HA   ILE  11           HA       ILE  11  -7.651   0.588  -4.514
   68    HB   ILE  11           HB       ILE  11  -5.969   0.586  -2.738
   69   1HG1  ILE  11          1HG1      ILE  11  -6.617  -1.487  -1.748
   70   2HG1  ILE  11          2HG1      ILE  11  -8.344  -1.124  -1.971
   71   1HG2  ILE  11          1HG2      ILE  11  -6.995   2.142  -1.128
   72   2HG2  ILE  11          2HG2      ILE  11  -8.309   0.977  -0.838
   73   3HG2  ILE  11          3HG2      ILE  11  -6.647   0.583  -0.354
   74   1HD1  ILE  11          1HD1      ILE  11  -6.342  -1.683  -4.190
   75   2HD1  ILE  11          2HD1      ILE  11  -7.572  -2.820  -3.602
   76   3HD1  ILE  11          3HD1      ILE  11  -8.071  -1.321  -4.411
   77    H    GLN  12           H        GLN  12  -9.558   0.993  -5.404
   78    HA   GLN  12           HA       GLN  12 -11.924   1.754  -4.237
   79   1HB   GLN  12          1HB       GLN  12 -10.973   0.536  -6.659
   80   2HB   GLN  12          2HB       GLN  12 -12.479  -0.275  -6.165
   81   1HG   GLN  12          1HG       GLN  12 -12.399   2.712  -6.035
   82   2HG   GLN  12          2HG       GLN  12 -12.463   1.961  -7.644
   83   2HE2  GLN  12          2HE2      GLN  12 -14.491   3.623  -6.344
   84   1HE2  GLN  12          1HE2      GLN  12 -15.952   2.652  -6.321
   85    H    THR  13           H        THR  13 -10.216  -1.155  -3.685
   86    HA   THR  13           HA       THR  13 -12.158  -2.041  -1.753
   87    HB   THR  13           HB       THR  13 -11.759  -3.500  -4.289
   88    HG1  THR  13           HG1      THR  13 -14.022  -3.943  -3.649
   89   1HG2  THR  13          1HG2      THR  13 -12.200  -5.051  -1.721
   90   2HG2  THR  13          2HG2      THR  13 -12.402  -5.697  -3.360
   91   3HG2  THR  13          3HG2      THR  13 -10.794  -5.197  -2.800
   92    HA   PRO  14           HA       PRO  14  -8.107  -2.551   0.057
   93   1HB   PRO  14          1HB       PRO  14  -9.029  -2.376   2.665
   94   2HB   PRO  14          2HB       PRO  14  -8.554  -1.003   1.613
   95   1HG   PRO  14          1HG       PRO  14 -11.291  -1.990   2.271
   96   2HG   PRO  14          2HG       PRO  14 -10.716  -0.301   2.095
   97   1HD   PRO  14          1HD       PRO  14 -12.095  -1.672   0.130
   98   2HD   PRO  14          2HD       PRO  14 -10.879  -0.413  -0.238
   99    H    LEU  15           H        LEU  15  -7.406  -4.562  -0.282
  100    HA   LEU  15           HA       LEU  15  -9.022  -6.788   0.745
  101   1HB   LEU  15          1HB       LEU  15  -7.574  -8.152  -0.772
  102   2HB   LEU  15          2HB       LEU  15  -8.650  -6.974  -1.560
  103    HG   LEU  15           HG       LEU  15  -5.861  -6.071  -1.009
  104   1HD1  LEU  15          1HD1      LEU  15  -5.593  -8.420  -1.739
  105   2HD1  LEU  15          2HD1      LEU  15  -6.627  -8.100  -3.150
  106   3HD1  LEU  15          3HD1      LEU  15  -5.050  -7.288  -3.000
  107   1HD2  LEU  15          1HD2      LEU  15  -7.699  -5.890  -3.437
  108   2HD2  LEU  15          2HD2      LEU  15  -7.482  -4.625  -2.204
  109   3HD2  LEU  15          3HD2      LEU  15  -6.128  -5.076  -3.264
  110    HA   PRO  16           HA       PRO  16  -6.216  -7.491   4.027
  111   1HB   PRO  16          1HB       PRO  16  -6.168 -10.222   4.397
  112   2HB   PRO  16          2HB       PRO  16  -7.573  -9.175   4.781
  113   1HG   PRO  16          1HG       PRO  16  -7.135 -10.896   2.361
  114   2HG   PRO  16          2HG       PRO  16  -8.636 -10.679   3.318
  115   1HD   PRO  16          1HD       PRO  16  -8.122  -9.401   0.913
  116   2HD   PRO  16          2HD       PRO  16  -9.146  -8.693   2.199
  117    H    SER  17           H        SER  17  -4.027  -7.959   4.618
  118    HA   SER  17           HA       SER  17  -2.175  -8.036   2.555
  119   1HB   SER  17          1HB       SER  17  -0.442  -8.294   4.228
  120   2HB   SER  17          2HB       SER  17  -1.671  -7.135   4.790
  121    HG   SER  17           HG       SER  17  -0.851  -8.956   6.279
  122    H    ARG  18           H        ARG  18  -3.844 -10.702   3.928
  123    HA   ARG  18           HA       ARG  18  -2.125 -12.847   3.408
  124   1HB   ARG  18          1HB       ARG  18  -3.999 -14.191   3.693
  125   2HB   ARG  18          2HB       ARG  18  -4.347 -12.736   4.659
  126   1HG   ARG  18          1HG       ARG  18  -6.374 -12.864   3.663
  127   2HG   ARG  18          2HG       ARG  18  -5.547 -12.076   2.297
  128   1HD   ARG  18          1HD       ARG  18  -4.919 -14.595   1.696
  129   2HD   ARG  18          2HD       ARG  18  -6.382 -14.934   2.646
  130    HE   ARG  18           HE       ARG  18  -6.560 -12.936   0.491
  131   1HH1  ARG  18          1HH1      ARG  18  -8.036 -13.367  -1.201
  132   2HH1  ARG  18          2HH1      ARG  18  -8.829 -14.920  -1.293
  133   1HH2  ARG  18          1HH2      ARG  18  -7.327 -16.221   1.564
  134   2HH2  ARG  18          2HH2      ARG  18  -8.435 -16.515   0.251
  135    H    ALA  19           H        ALA  19  -3.756 -10.748   1.179
  136    HA   ALA  19           HA       ALA  19  -3.432 -12.601  -1.099
  137   1HB   ALA  19          1HB       ALA  19  -4.863 -10.956  -2.257
  138   2HB   ALA  19          2HB       ALA  19  -4.854  -9.922  -0.806
  139   3HB   ALA  19          3HB       ALA  19  -5.625 -11.525  -0.750
  140    H    ILE  20           H        ILE  20  -1.559 -10.304   0.523
  141    HA   ILE  20           HA       ILE  20  -0.528  -8.935  -1.872
  142    HB   ILE  20           HB       ILE  20  -0.548  -8.394   1.087
  143   1HG1  ILE  20          1HG1      ILE  20  -1.195  -6.113   0.256
  144   2HG1  ILE  20          2HG1      ILE  20  -1.316  -6.831  -1.368
  145   1HG2  ILE  20          1HG2      ILE  20   1.786  -8.062   0.378
  146   2HG2  ILE  20          2HG2      ILE  20   1.239  -6.994  -0.936
  147   3HG2  ILE  20          3HG2      ILE  20   1.020  -6.506   0.758
  148   1HD1  ILE  20          1HD1      ILE  20  -3.031  -7.542   1.023
  149   2HD1  ILE  20          2HD1      ILE  20  -3.551  -6.552  -0.350
  150   3HD1  ILE  20          3HD1      ILE  20  -3.153  -8.258  -0.602
  151    H    VAL  21           H        VAL  21   0.999  -9.987  -2.825
  152    HA   VAL  21           HA       VAL  21   2.780 -11.725  -1.306
  153    HB   VAL  21           HB       VAL  21   3.597 -12.499  -3.474
  154   1HG1  VAL  21          1HG1      VAL  21   1.807 -13.650  -2.254
  155   2HG1  VAL  21          2HG1      VAL  21   0.587 -12.657  -3.087
  156   3HG1  VAL  21          3HG1      VAL  21   1.571 -13.816  -4.007
  157   1HG2  VAL  21          1HG2      VAL  21   3.143 -10.609  -4.939
  158   2HG2  VAL  21          2HG2      VAL  21   2.365 -12.075  -5.563
  159   3HG2  VAL  21          3HG2      VAL  21   1.393 -10.850  -4.723
  160    H    GLY  22           H        GLY  22   2.982  -8.790  -3.291
  161   1HA   GLY  22          1HA       GLY  22   5.458  -8.174  -3.881
  162   2HA   GLY  22          2HA       GLY  22   5.587  -8.145  -2.109
  163    H    PHE  23           H        PHE  23   5.662  -5.969  -1.616
  164    HA   PHE  23           HA       PHE  23   4.067  -4.083  -3.136
  165   1HB   PHE  23          1HB       PHE  23   2.907  -3.194  -1.215
  166   2HB   PHE  23          2HB       PHE  23   2.513  -4.909  -1.419
  167    HD1  PHE  23           HD1      PHE  23   4.132  -6.567  -0.045
  168    HD2  PHE  23           HD2      PHE  23   3.354  -2.414   0.886
  169    HE1  PHE  23           HE1      PHE  23   4.702  -7.016   2.345
  170    HE2  PHE  23           HE2      PHE  23   3.873  -2.869   3.287
  171    HZ   PHE  23           HZ       PHE  23   4.602  -5.138   3.975
  172    H    THR  24           H        THR  24   4.312  -1.840  -2.291
  173    HA   THR  24           HA       THR  24   6.987  -1.321  -1.130
  174    HB   THR  24           HB       THR  24   6.147   0.230  -3.547
  175    HG1  THR  24           HG1      THR  24   7.459  -1.549  -4.747
  176   1HG2  THR  24          1HG2      THR  24   8.208   0.769  -2.288
  177   2HG2  THR  24          2HG2      THR  24   8.803  -0.886  -2.551
  178   3HG2  THR  24          3HG2      THR  24   8.597   0.216  -3.931
  179    H    ARG  25           H        ARG  25   7.297   1.021  -0.665
  180    HA   ARG  25           HA       ARG  25   4.865   2.140   0.529
  181   1HB   ARG  25          1HB       ARG  25   7.826   2.588   0.921
  182   2HB   ARG  25          2HB       ARG  25   6.658   3.842   1.404
  183   1HG   ARG  25          1HG       ARG  25   5.402   1.944   2.620
  184   2HG   ARG  25          2HG       ARG  25   6.887   0.988   2.399
  185   1HD   ARG  25          1HD       ARG  25   7.829   2.009   4.171
  186   2HD   ARG  25          2HD       ARG  25   7.610   3.593   3.395
  187    HE   ARG  25           HE       ARG  25   5.909   2.332   5.406
  188   1HH1  ARG  25          1HH1      ARG  25   4.200   3.565   6.297
  189   2HH1  ARG  25          2HH1      ARG  25   3.698   5.051   5.529
  190   1HH2  ARG  25          1HH2      ARG  25   6.044   4.874   2.955
  191   2HH2  ARG  25          2HH2      ARG  25   4.730   5.786   3.656
  192    H    GLN  26           H        GLN  26   4.052   4.146   0.034
  193    HA   GLN  26           HA       GLN  26   5.430   5.677  -2.106
  194   1HB   GLN  26          1HB       GLN  26   3.435   4.224  -2.780
  195   2HB   GLN  26          2HB       GLN  26   2.442   5.316  -1.786
  196   1HG   GLN  26          1HG       GLN  26   4.233   6.603  -3.796
  197   2HG   GLN  26          2HG       GLN  26   2.843   5.695  -4.427
  198   2HE2  GLN  26          2HE2      GLN  26   0.719   6.286  -3.752
  199   1HE2  GLN  26          1HE2      GLN  26   0.389   7.904  -3.165
  200    H    MET  27           H        MET  27   5.504   7.775  -1.885
  201    HA   MET  27           HA       MET  27   4.500   9.011   0.619
  202   1HB   MET  27          1HB       MET  27   7.118   9.594  -0.807
  203   2HB   MET  27          2HB       MET  27   6.568  10.242   0.758
  204   1HG   MET  27          1HG       MET  27   6.690   7.959   1.717
  205   2HG   MET  27          2HG       MET  27   7.296   7.353   0.166
  206   1HE   MET  27          1HE       MET  27   9.675   8.063  -0.856
  207   2HE   MET  27          2HE       MET  27  10.982   7.830   0.327
  208   3HE   MET  27          3HE       MET  27   9.671   6.635   0.208
  209    H    ALA  28           H        ALA  28   3.861  11.091   0.475
  210    HA   ALA  28           HA       ALA  28   2.853  12.077  -2.030
  211   1HB   ALA  28          1HB       ALA  28   2.000  13.894  -0.578
  212   2HB   ALA  28          2HB       ALA  28   2.996  13.289   0.769
  213   3HB   ALA  28          3HB       ALA  28   1.664  12.296   0.133
  214    H    ASP  29           H        ASP  29   4.440  12.665  -3.456
  215    HA   ASP  29           HA       ASP  29   5.718  15.074  -3.405
  216   1HB   ASP  29          1HB       ASP  29   7.301  13.141  -1.889
  217   2HB   ASP  29          2HB       ASP  29   8.191  13.764  -3.295
  218    HD2  ASP  29           HD2      ASP  29   8.032  16.014  -0.215
  219    H    GLU  30           H        GLU  30   6.631  11.708  -4.264
  220    HA   GLU  30           HA       GLU  30   7.938  12.335  -6.719
  221   1HB   GLU  30          1HB       GLU  30   7.870  10.254  -5.015
  222   2HB   GLU  30          2HB       GLU  30   6.704   9.653  -6.218
  223   1HG   GLU  30          1HG       GLU  30   8.851  10.707  -7.727
  224   2HG   GLU  30          2HG       GLU  30   9.617   9.829  -6.386
  225    H    ALA  31           H        ALA  31   6.475  10.178  -8.388
  226    HA   ALA  31           HA       ALA  31   4.722  11.668  -9.895
  227   1HB   ALA  31          1HB       ALA  31   3.984   9.478 -10.775
  228   2HB   ALA  31          2HB       ALA  31   5.751   9.527 -10.564
  229   3HB   ALA  31          3HB       ALA  31   4.737   8.665  -9.381
  230    H    CYS  32           H        CYS  32   4.180  10.411  -6.735
  231    HA   CYS  32           HA       CYS  32   1.284  10.842  -6.942
  232   1HB   CYS  32          1HB       CYS  32   2.889   8.812  -5.575
  233   2HB   CYS  32          2HB       CYS  32   1.675   9.615  -4.547
  234    H    ASP  33           H        ASP  33   0.370  12.292  -5.737
  235    HA   ASP  33           HA       ASP  33   2.080  14.011  -4.051
  236   1HB   ASP  33          1HB       ASP  33   0.698  14.771  -6.037
  237   2HB   ASP  33          2HB       ASP  33  -0.740  14.415  -5.055
  238    HD2  ASP  33           HD2      ASP  33   1.136  17.797  -4.595
  239    H    ILE  34           H        ILE  34   0.101  11.368  -3.528
  240    HA   ILE  34           HA       ILE  34  -0.583  12.246  -0.817
  241    HB   ILE  34           HB       ILE  34  -2.621  10.874  -0.849
  242   1HG1  ILE  34          1HG1      ILE  34  -2.184  10.642  -3.831
  243   2HG1  ILE  34          2HG1      ILE  34  -1.987   9.337  -2.636
  244   1HG2  ILE  34          1HG2      ILE  34  -2.746  13.300  -1.176
  245   2HG2  ILE  34          2HG2      ILE  34  -2.600  13.086  -2.938
  246   3HG2  ILE  34          3HG2      ILE  34  -4.035  12.471  -2.081
  247   1HD1  ILE  34          1HD1      ILE  34  -4.587  10.732  -3.333
  248   2HD1  ILE  34          2HD1      ILE  34  -4.119   9.106  -3.865
  249   3HD1  ILE  34          3HD1      ILE  34  -4.389   9.425  -2.141
  250    H    ASN  35           H        ASN  35  -0.334  10.462   0.659
  251    HA   ASN  35           HA       ASN  35   1.756   8.594  -0.170
  252   1HB   ASN  35          1HB       ASN  35   0.323   8.532   2.479
  253   2HB   ASN  35          2HB       ASN  35   1.997   8.079   2.097
  254   2HD2  ASN  35          2HD2      ASN  35  -0.222  10.642   2.852
  255   1HD2  ASN  35          1HD2      ASN  35   0.947  11.930   3.025
  256    H    ALA  36           H        ALA  36   1.521   6.303  -0.108
  257    HA   ALA  36           HA       ALA  36  -0.936   5.035   0.413
  258   1HB   ALA  36          1HB       ALA  36  -1.544   4.273  -1.862
  259   2HB   ALA  36          2HB       ALA  36  -0.272   5.309  -2.544
  260   3HB   ALA  36          3HB       ALA  36  -1.666   6.039  -1.713
  261    H    ILE  37           H        ILE  37  -0.869   2.673  -0.218
  262    HA   ILE  37           HA       ILE  37   1.946   1.749  -0.280
  263    HB   ILE  37           HB       ILE  37  -0.465   0.263   0.728
  264   1HG1  ILE  37          1HG1      ILE  37  -0.558   2.260   1.971
  265   2HG1  ILE  37          2HG1      ILE  37   0.075   0.962   3.014
  266   1HG2  ILE  37          1HG2      ILE  37   1.507  -1.051   0.227
  267   2HG2  ILE  37          2HG2      ILE  37   2.486  -0.028   1.306
  268   3HG2  ILE  37          3HG2      ILE  37   1.184  -1.039   1.977
  269   1HD1  ILE  37          1HD1      ILE  37   1.712   3.184   1.747
  270   2HD1  ILE  37          2HD1      ILE  37   1.237   3.104   3.454
  271   3HD1  ILE  37          3HD1      ILE  37   2.343   1.888   2.790
  272    H    ILE  38           H        ILE  38   2.546   0.958  -2.054
  273    HA   ILE  38           HA       ILE  38   0.701   0.185  -4.178
  274    HB   ILE  38           HB       ILE  38   3.519   1.008  -3.860
  275   1HG1  ILE  38          1HG1      ILE  38   2.150   1.593  -6.356
  276   2HG1  ILE  38          2HG1      ILE  38   1.084   1.904  -4.966
  277   1HG2  ILE  38          1HG2      ILE  38   2.705  -0.633  -6.272
  278   2HG2  ILE  38          2HG2      ILE  38   4.205   0.299  -6.121
  279   3HG2  ILE  38          3HG2      ILE  38   3.922  -1.091  -5.058
  280   1HD1  ILE  38          1HD1      ILE  38   3.940   2.930  -5.282
  281   2HD1  ILE  38          2HD1      ILE  38   2.459   3.895  -5.498
  282   3HD1  ILE  38          3HD1      ILE  38   2.872   3.242  -3.893
  283    H    PHE  39           H        PHE  39  -0.278  -1.620  -3.568
  284    HA   PHE  39           HA       PHE  39   1.247  -3.991  -2.759
  285   1HB   PHE  39          1HB       PHE  39  -1.713  -3.392  -3.041
  286   2HB   PHE  39          2HB       PHE  39  -1.067  -4.967  -2.551
  287    HD1  PHE  39           HD1      PHE  39   0.806  -4.787  -0.653
  288    HD2  PHE  39           HD2      PHE  39  -2.276  -1.850  -1.282
  289    HE1  PHE  39           HE1      PHE  39   0.679  -4.437   1.800
  290    HE2  PHE  39           HE2      PHE  39  -2.372  -1.437   1.171
  291    HZ   PHE  39           HZ       PHE  39  -0.929  -2.752   2.719
  292    H    HIS  40           H        HIS  40   1.573  -5.825  -3.937
  293    HA   HIS  40           HA       HIS  40   0.456  -5.951  -6.690
  294   1HB   HIS  40          1HB       HIS  40   3.153  -7.031  -5.808
  295   2HB   HIS  40          2HB       HIS  40   2.537  -6.820  -7.458
  296    HD1  HIS  40           HD1      HIS  40   2.043  -3.994  -7.891
  297    HD2  HIS  40           HD2      HIS  40   4.708  -5.177  -4.996
  298    HE1  HIS  40           HE1      HIS  40   3.789  -2.135  -7.731
  299    HE2  HIS  40           HE2      HIS  40   5.104  -2.742  -5.620
  300    H    THR  41           H        THR  41  -1.224  -7.172  -5.807
  301    HA   THR  41           HA       THR  41  -0.779  -9.610  -4.303
  302    HB   THR  41           HB       THR  41  -3.276  -9.797  -4.821
  303    HG1  THR  41           HG1      THR  41  -4.144  -7.745  -5.729
  304   1HG2  THR  41          1HG2      THR  41  -2.255  -7.184  -3.630
  305   2HG2  THR  41          2HG2      THR  41  -3.868  -7.884  -3.364
  306   3HG2  THR  41          3HG2      THR  41  -2.423  -8.726  -2.756
  307    H    LYS  42           H        LYS  42  -1.640 -11.714  -5.139
  308    HA   LYS  42           HA       LYS  42  -0.347 -12.242  -7.656
  309   1HB   LYS  42          1HB       LYS  42  -0.868 -14.585  -7.259
  310   2HB   LYS  42          2HB       LYS  42  -0.096 -13.820  -5.848
  311   1HG   LYS  42          1HG       LYS  42  -2.130 -13.821  -4.611
  312   2HG   LYS  42          2HG       LYS  42  -3.096 -14.208  -6.054
  313   1HD   LYS  42          1HD       LYS  42  -0.949 -16.052  -4.963
  314   2HD   LYS  42          2HD       LYS  42  -2.648 -16.137  -4.445
  315   1HE   LYS  42          1HE       LYS  42  -3.238 -17.277  -6.304
  316   2HE   LYS  42          2HE       LYS  42  -2.433 -16.097  -7.361
  317   1HZ   LYS  42          1HZ       LYS  42  -1.086 -18.251  -5.909
  318   2HZ   LYS  42          2HZ       LYS  42  -1.465 -18.276  -7.490
  319   3HZ   LYS  42          3HZ       LYS  42  -0.382 -17.195  -6.949
  320    H    LYS  43           H        LYS  43  -3.456 -11.214  -6.916
  321    HA   LYS  43           HA       LYS  43  -4.495 -12.029  -9.549
  322   1HB   LYS  43          1HB       LYS  43  -5.095 -13.499  -7.438
  323   2HB   LYS  43          2HB       LYS  43  -6.227 -12.169  -7.098
  324   1HG   LYS  43          1HG       LYS  43  -7.416 -13.893  -8.271
  325   2HG   LYS  43          2HG       LYS  43  -7.216 -12.508  -9.369
  326   1HD   LYS  43          1HD       LYS  43  -5.595 -13.624 -10.671
  327   2HD   LYS  43          2HD       LYS  43  -5.283 -14.837  -9.407
  328   1HE   LYS  43          1HE       LYS  43  -7.314 -15.969  -9.816
  329   2HE   LYS  43          2HE       LYS  43  -8.039 -14.566 -10.630
  330   1HZ   LYS  43          1HZ       LYS  43  -5.804 -16.145 -11.676
  331   2HZ   LYS  43          2HZ       LYS  43  -7.363 -16.283 -12.136
  332   3HZ   LYS  43          3HZ       LYS  43  -6.567 -14.899 -12.428
  333    H    ARG  44           H        ARG  44  -3.380  -9.500  -8.737
  334    HA   ARG  44           HA       ARG  44  -5.325  -7.721  -9.753
  335   1HB   ARG  44          1HB       ARG  44  -5.359  -8.048  -6.881
  336   2HB   ARG  44          2HB       ARG  44  -4.732  -6.437  -7.301
  337   1HG   ARG  44          1HG       ARG  44  -6.753  -5.841  -8.409
  338   2HG   ARG  44          2HG       ARG  44  -7.354  -7.515  -8.365
  339   1HD   ARG  44          1HD       ARG  44  -6.627  -6.183  -5.767
  340   2HD   ARG  44          2HD       ARG  44  -8.147  -5.715  -6.558
  341    HE   ARG  44           HE       ARG  44  -7.719  -8.596  -6.321
  342   1HH1  ARG  44          1HH1      ARG  44  -9.283  -9.761  -5.098
  343   2HH1  ARG  44          2HH1      ARG  44 -10.425  -8.902  -4.096
  344   1HH2  ARG  44          1HH2      ARG  44  -9.190  -5.736  -4.856
  345   2HH2  ARG  44          2HH2      ARG  44 -10.374  -6.653  -3.961
  346    H    LYS  45           H        LYS  45  -4.254  -6.042 -10.582
  347    HA   LYS  45           HA       LYS  45  -1.402  -5.914 -10.609
  348   1HB   LYS  45          1HB       LYS  45  -3.721  -4.329 -11.676
  349   2HB   LYS  45          2HB       LYS  45  -2.103  -3.589 -11.694
  350   1HG   LYS  45          1HG       LYS  45  -1.266  -5.110 -13.203
  351   2HG   LYS  45          2HG       LYS  45  -2.370  -6.402 -12.675
  352   1HD   LYS  45          1HD       LYS  45  -3.427  -3.967 -14.115
  353   2HD   LYS  45          2HD       LYS  45  -2.715  -5.323 -15.022
  354   1HE   LYS  45          1HE       LYS  45  -4.340  -6.869 -14.108
  355   2HE   LYS  45          2HE       LYS  45  -4.959  -5.636 -12.990
  356   1HZ   LYS  45          1HZ       LYS  45  -5.067  -5.458 -15.910
  357   2HZ   LYS  45          2HZ       LYS  45  -6.304  -5.907 -14.946
  358   3HZ   LYS  45          3HZ       LYS  45  -5.715  -4.391 -14.842
  359    H    SER  46           H        SER  46  -0.541  -3.384 -10.347
  360    HA   SER  46           HA       SER  46  -0.046  -3.044  -7.653
  361   1HB   SER  46          1HB       SER  46   0.246  -0.518  -8.740
  362   2HB   SER  46          2HB       SER  46   1.488  -1.790  -8.646
  363    HG   SER  46           HG       SER  46   1.179  -0.938 -10.825
  364    H    VAL  47           H        VAL  47  -1.108  -2.419  -6.065
  365    HA   VAL  47           HA       VAL  47  -3.642  -0.878  -6.374
  366    HB   VAL  47           HB       VAL  47  -2.663  -3.190  -4.798
  367   1HG1  VAL  47          1HG1      VAL  47  -3.159  -1.721  -2.932
  368   2HG1  VAL  47          2HG1      VAL  47  -4.788  -1.422  -3.580
  369   3HG1  VAL  47          3HG1      VAL  47  -4.342  -3.039  -3.008
  370   1HG2  VAL  47          1HG2      VAL  47  -4.137  -3.473  -6.720
  371   2HG2  VAL  47          2HG2      VAL  47  -4.933  -4.044  -5.237
  372   3HG2  VAL  47          3HG2      VAL  47  -5.380  -2.471  -5.932
  373    H    CYS  48           H        CYS  48  -3.638   1.154  -5.623
  374    HA   CYS  48           HA       CYS  48  -1.471   2.042  -3.798
  375   1HB   CYS  48          1HB       CYS  48  -1.467   3.324  -5.696
  376   2HB   CYS  48          2HB       CYS  48  -3.221   3.140  -5.947
  377    H    ALA  49           H        ALA  49  -2.188   1.565  -1.773
  378    HA   ALA  49           HA       ALA  49  -4.840   2.618  -1.031
  379   1HB   ALA  49          1HB       ALA  49  -4.339   0.208  -0.940
  380   2HB   ALA  49          2HB       ALA  49  -4.608   0.877   0.691
  381   3HB   ALA  49          3HB       ALA  49  -2.952   0.529   0.128
  382    H    ASP  50           H        ASP  50  -5.017   4.425   0.253
  383    HA   ASP  50           HA       ASP  50  -2.715   5.851   1.092
  384   1HB   ASP  50          1HB       ASP  50  -5.480   6.293   0.937
  385   2HB   ASP  50          2HB       ASP  50  -5.069   6.467   2.658
  386    HD2  ASP  50           HD2      ASP  50  -3.701   9.543   2.130
  387    HA   PRO  51           HA       PRO  51  -1.901   3.760   4.934
  388   1HB   PRO  51          1HB       PRO  51  -0.144   5.447   6.135
  389   2HB   PRO  51          2HB       PRO  51   0.237   4.509   4.654
  390   1HG   PRO  51          1HG       PRO  51  -0.673   7.374   4.854
  391   2HG   PRO  51          2HG       PRO  51   0.695   6.714   3.899
  392   1HD   PRO  51          1HD       PRO  51  -1.783   7.244   2.826
  393   2HD   PRO  51          2HD       PRO  51  -0.759   5.895   2.248
  394    H    LYS  52           H        LYS  52  -4.354   4.630   4.941
  395    HA   LYS  52           HA       LYS  52  -4.811   5.994   7.536
  396   1HB   LYS  52          1HB       LYS  52  -6.592   6.061   5.082
  397   2HB   LYS  52          2HB       LYS  52  -6.772   7.004   6.581
  398   1HG   LYS  52          1HG       LYS  52  -4.659   7.337   4.433
  399   2HG   LYS  52          2HG       LYS  52  -5.976   8.460   4.846
  400   1HD   LYS  52          1HD       LYS  52  -4.495   8.044   7.223
  401   2HD   LYS  52          2HD       LYS  52  -3.307   8.292   5.921
  402   1HE   LYS  52          1HE       LYS  52  -5.661  10.147   6.266
  403   2HE   LYS  52          2HE       LYS  52  -4.175  10.357   7.216
  404   1HZ   LYS  52          1HZ       LYS  52  -4.282  10.230   4.284
  405   2HZ   LYS  52          2HZ       LYS  52  -4.219  11.606   5.169
  406   3HZ   LYS  52          3HZ       LYS  52  -2.960  10.567   5.217
  407    H    GLN  53           H        GLN  53  -4.737   3.042   6.331
  408    HA   GLN  53           HA       GLN  53  -7.286   2.083   7.529
  409   1HB   GLN  53          1HB       GLN  53  -5.666   1.005   5.183
  410   2HB   GLN  53          2HB       GLN  53  -7.153   0.282   5.841
  411   1HG   GLN  53          1HG       GLN  53  -8.493   1.708   4.707
  412   2HG   GLN  53          2HG       GLN  53  -7.437   3.105   5.014
  413   2HE2  GLN  53          2HE2      GLN  53  -8.774   1.906   2.514
  414   1HE2  GLN  53          1HE2      GLN  53  -7.478   1.754   1.339
  415    H    ASN  54           H        ASN  54  -7.069  -0.277   8.147
  416    HA   ASN  54           HA       ASN  54  -4.784  -0.579   9.904
  417   1HB   ASN  54          1HB       ASN  54  -6.022  -2.639  10.642
  418   2HB   ASN  54          2HB       ASN  54  -6.898  -1.109  10.860
  419   2HD2  ASN  54          2HD2      ASN  54  -8.598  -0.574   9.388
  420   1HD2  ASN  54          1HD2      ASN  54  -9.365  -1.770   8.362
  421    H    TRP  55           H        TRP  55  -6.280  -2.672   7.302
  422    HA   TRP  55           HA       TRP  55  -4.334  -4.537   7.074
  423   1HB   TRP  55          1HB       TRP  55  -5.231  -5.006   4.910
  424   2HB   TRP  55          2HB       TRP  55  -6.560  -4.431   5.924
  425    HD1  TRP  55           HD1      TRP  55  -7.442  -1.883   5.404
  426    HE1  TRP  55           HE1      TRP  55  -7.305  -0.414   3.340
  427    HE3  TRP  55           HE3      TRP  55  -4.119  -4.652   2.771
  428    HZ2  TRP  55           HZ2      TRP  55  -6.245  -0.624   0.746
  429    HZ3  TRP  55           HZ3      TRP  55  -4.075  -4.312   0.311
  430    HH2  TRP  55           HH2      TRP  55  -5.101  -2.301  -0.697
  431    H    VAL  56           H        VAL  56  -4.381  -1.364   5.442
  432    HA   VAL  56           HA       VAL  56  -1.975  -1.537   4.027
  433    HB   VAL  56           HB       VAL  56  -3.948   0.455   4.906
  434   1HG1  VAL  56          1HG1      VAL  56  -1.204   1.412   4.062
  435   2HG1  VAL  56          2HG1      VAL  56  -2.655   2.423   4.183
  436   3HG1  VAL  56          3HG1      VAL  56  -1.968   1.693   5.645
  437   1HG2  VAL  56          1HG2      VAL  56  -3.874  -0.732   2.741
  438   2HG2  VAL  56          2HG2      VAL  56  -3.697   1.025   2.514
  439   3HG2  VAL  56          3HG2      VAL  56  -2.270  -0.032   2.414
  440    H    LYS  57           H        LYS  57  -2.506   0.270   7.124
  441    HA   LYS  57           HA       LYS  57   0.155   0.618   7.720
  442   1HB   LYS  57          1HB       LYS  57  -2.373   0.997   8.994
  443   2HB   LYS  57          2HB       LYS  57  -1.253   0.278  10.175
  444   1HG   LYS  57          1HG       LYS  57  -0.049   2.394   8.502
  445   2HG   LYS  57          2HG       LYS  57  -1.391   2.959   9.525
  446   1HD   LYS  57          1HD       LYS  57   0.613   3.318  10.740
  447   2HD   LYS  57          2HD       LYS  57  -0.218   1.932  11.489
  448   1HE   LYS  57          1HE       LYS  57   1.776   0.910  11.435
  449   2HE   LYS  57          2HE       LYS  57   1.500   0.718   9.690
  450   1HZ   LYS  57          1HZ       LYS  57   2.611   2.897   9.445
  451   2HZ   LYS  57          2HZ       LYS  57   2.993   2.805  11.038
  452   3HZ   LYS  57          3HZ       LYS  57   3.558   1.694   9.992
  453    H    ARG  58           H        ARG  58  -1.794  -2.295   8.394
  454    HA   ARG  58           HA       ARG  58   0.100  -3.721   9.893
  455   1HB   ARG  58          1HB       ARG  58  -2.361  -4.190   9.578
  456   2HB   ARG  58          2HB       ARG  58  -1.978  -4.794   7.948
  457   1HG   ARG  58          1HG       ARG  58  -0.292  -6.336   9.080
  458   2HG   ARG  58          2HG       ARG  58  -1.066  -5.883  10.617
  459   1HD   ARG  58          1HD       ARG  58  -3.224  -6.535   8.976
  460   2HD   ARG  58          2HD       ARG  58  -1.988  -7.731   8.529
  461    HE   ARG  58           HE       ARG  58  -3.451  -7.589  10.961
  462   1HH1  ARG  58          1HH1      ARG  58  -3.028  -8.903  12.710
  463   2HH1  ARG  58          2HH1      ARG  58  -1.479  -9.694  12.873
  464   1HH2  ARG  58          1HH2      ARG  58  -0.142  -8.413   9.940
  465   2HH2  ARG  58          2HH2      ARG  58   0.135  -9.427  11.332
  466    H    ALA  59           H        ALA  59  -0.643  -4.117   6.304
  467    HA   ALA  59           HA       ALA  59   1.495  -5.894   5.802
  468   1HB   ALA  59          1HB       ALA  59   0.155  -3.819   4.025
  469   2HB   ALA  59          2HB       ALA  59   1.121  -5.210   3.470
  470   3HB   ALA  59          3HB       ALA  59  -0.423  -5.478   4.317
  471    H    VAL  60           H        VAL  60   1.318  -2.325   5.703
  472    HA   VAL  60           HA       VAL  60   4.006  -1.809   4.997
  473    HB   VAL  60           HB       VAL  60   2.090  -0.115   6.630
  474   1HG1  VAL  60          1HG1      VAL  60   4.458   0.735   4.928
  475   2HG1  VAL  60          2HG1      VAL  60   3.318   1.834   5.727
  476   3HG1  VAL  60          3HG1      VAL  60   4.378   0.799   6.705
  477   1HG2  VAL  60          1HG2      VAL  60   1.207  -0.885   4.447
  478   2HG2  VAL  60          2HG2      VAL  60   1.540   0.862   4.420
  479   3HG2  VAL  60          3HG2      VAL  60   2.671  -0.270   3.642
  480    H    ASN  61           H        ASN  61   2.485  -2.407   8.196
  481    HA   ASN  61           HA       ASN  61   4.550  -1.646   9.864
  482   1HB   ASN  61          1HB       ASN  61   2.163  -2.459  10.352
  483   2HB   ASN  61          2HB       ASN  61   2.827  -4.104  10.257
  484   2HD2  ASN  61          2HD2      ASN  61   1.662  -2.274  12.421
  485   1HD2  ASN  61          1HD2      ASN  61   2.769  -2.489  13.758
  486    H    LEU  62           H        LEU  62   3.935  -4.959   8.527
  487    HA   LEU  62           HA       LEU  62   6.364  -6.066   9.413
  488   1HB   LEU  62          1HB       LEU  62   4.357  -6.808   7.345
  489   2HB   LEU  62          2HB       LEU  62   5.966  -7.561   7.229
  490    HG   LEU  62           HG       LEU  62   5.568  -7.820   9.884
  491   1HD1  LEU  62          1HD1      LEU  62   3.340  -6.770   9.850
  492   2HD1  LEU  62          2HD1      LEU  62   2.775  -7.992   8.685
  493   3HD1  LEU  62          3HD1      LEU  62   3.228  -8.476  10.336
  494   1HD2  LEU  62          1HD2      LEU  62   6.127  -9.612   8.286
  495   2HD2  LEU  62          2HD2      LEU  62   4.857 -10.137   9.415
  496   3HD2  LEU  62          3HD2      LEU  62   4.430  -9.669   7.752
  497    H    LEU  63           H        LEU  63   5.623  -4.389   6.315
  498    HA   LEU  63           HA       LEU  63   8.254  -4.520   5.289
  499   1HB   LEU  63          1HB       LEU  63   6.764  -4.036   3.681
  500   2HB   LEU  63          2HB       LEU  63   5.757  -3.030   4.750
  501    HG   LEU  63           HG       LEU  63   8.417  -1.974   3.865
  502   1HD1  LEU  63          1HD1      LEU  63   7.418  -2.797   1.768
  503   2HD1  LEU  63          2HD1      LEU  63   5.908  -1.932   2.143
  504   3HD1  LEU  63          3HD1      LEU  63   7.401  -1.020   1.825
  505   1HD2  LEU  63          1HD2      LEU  63   7.033  -0.812   5.538
  506   2HD2  LEU  63          2HD2      LEU  63   7.161   0.139   4.039
  507   3HD2  LEU  63          3HD2      LEU  63   5.672  -0.772   4.391
  508    H    SER  64           H        SER  64   6.820  -2.266   7.662
  509    HA   SER  64           HA       SER  64   8.706  -0.237   7.521
  510   1HB   SER  64          1HB       SER  64   6.478  -0.264   8.750
  511   2HB   SER  64          2HB       SER  64   7.301  -1.156  10.052
  512    HG   SER  64           HG       SER  64   7.253   1.141  10.415
  513    H    LEU  65           H        LEU  65   8.631  -3.134   9.666
  514    HA   LEU  65           HA       LEU  65  11.206  -2.765  10.805
  515   1HB   LEU  65          1HB       LEU  65   9.575  -5.292  10.344
  516   2HB   LEU  65          2HB       LEU  65  10.934  -5.116  11.480
  517    HG   LEU  65           HG       LEU  65   8.628  -3.211  11.659
  518   1HD1  LEU  65          1HD1      LEU  65   7.542  -5.386  11.457
  519   2HD1  LEU  65          2HD1      LEU  65   8.547  -6.026  12.780
  520   3HD1  LEU  65          3HD1      LEU  65   7.361  -4.741  13.105
  521   1HD2  LEU  65          1HD2      LEU  65  10.578  -2.826  13.062
  522   2HD2  LEU  65          2HD2      LEU  65   9.155  -3.214  14.052
  523   3HD2  LEU  65          3HD2      LEU  65  10.402  -4.448  13.772
  524    H    ARG  66           H        ARG  66  10.152  -4.139   7.726
  525    HA   ARG  66           HA       ARG  66  12.639  -5.453   7.075
  526   1HB   ARG  66          1HB       ARG  66  10.159  -5.870   6.343
  527   2HB   ARG  66          2HB       ARG  66  10.499  -4.619   5.123
  528   1HG   ARG  66          1HG       ARG  66  10.880  -6.663   4.026
  529   2HG   ARG  66          2HG       ARG  66  12.502  -6.053   4.438
  530   1HD   ARG  66          1HD       ARG  66  11.149  -7.878   6.405
  531   2HD   ARG  66          2HD       ARG  66  11.775  -8.597   4.905
  532    HE   ARG  66           HE       ARG  66  13.301  -7.493   7.127
  533   1HH1  ARG  66          1HH1      ARG  66  15.543  -7.858   7.158
  534   2HH1  ARG  66          2HH1      ARG  66  16.370  -8.330   5.694
  535   1HH2  ARG  66          1HH2      ARG  66  13.498  -8.373   3.717
  536   2HH2  ARG  66          2HH2      ARG  66  15.227  -8.620   3.764
  537    H    VAL  67           H        VAL  67  11.011  -2.464   5.795
  538    HA   VAL  67           HA       VAL  67  13.465  -1.621   4.436
  539    HB   VAL  67           HB       VAL  67  11.048  -1.710   3.518
  540   1HG1  VAL  67          1HG1      VAL  67   9.885  -0.410   5.232
  541   2HG1  VAL  67          2HG1      VAL  67  10.889   1.009   4.848
  542   3HG1  VAL  67          3HG1      VAL  67   9.741   0.382   3.651
  543   1HG2  VAL  67          1HG2      VAL  67  13.003  -0.828   2.337
  544   2HG2  VAL  67          2HG2      VAL  67  11.563   0.153   1.987
  545   3HG2  VAL  67          3HG2      VAL  67  12.784   0.749   3.132
  546    H    LYS  68           H        LYS  68  13.263  -1.676   7.413
  547    HA   LYS  68           HA       LYS  68  14.549   0.824   7.964
  548   1HB   LYS  68          1HB       LYS  68  11.922   1.208   7.990
  549   2HB   LYS  68          2HB       LYS  68  12.061   0.450   9.593
  550   1HG   LYS  68          1HG       LYS  68  13.878   2.732   8.860
  551   2HG   LYS  68          2HG       LYS  68  12.198   3.058   9.346
  552   1HD   LYS  68          1HD       LYS  68  13.299   1.171  11.195
  553   2HD   LYS  68          2HD       LYS  68  14.462   2.505  11.010
  554   1HE   LYS  68          1HE       LYS  68  12.939   4.116  11.779
  555   2HE   LYS  68          2HE       LYS  68  11.523   3.142  11.326
  556   1HZ   LYS  68          1HZ       LYS  68  13.428   2.440  13.442
  557   2HZ   LYS  68          2HZ       LYS  68  11.965   3.145  13.696
  558   3HZ   LYS  68          3HZ       LYS  68  12.050   1.645  13.055
  559    H    LYS  69           H        LYS  69  16.168  -0.140   8.776
  560    HA   LYS  69           HA       LYS  69  16.251  -2.525  10.337
  561   1HB   LYS  69          1HB       LYS  69  17.983  -0.815   8.977
  562   2HB   LYS  69          2HB       LYS  69  18.424  -0.556  10.682
  563   1HG   LYS  69          1HG       LYS  69  18.677  -3.003  10.979
  564   2HG   LYS  69          2HG       LYS  69  18.262  -3.248   9.266
  565   1HD   LYS  69          1HD       LYS  69  20.231  -2.194   8.510
  566   2HD   LYS  69          2HD       LYS  69  20.491  -1.359  10.059
  567   1HE   LYS  69          1HE       LYS  69  20.793  -3.758  11.053
  568   2HE   LYS  69          2HE       LYS  69  21.003  -4.273   9.366
  569   1HZ   LYS  69          1HZ       LYS  69  22.472  -2.074  10.612
  570   2HZ   LYS  69          2HZ       LYS  69  23.052  -3.589  10.478
  571   3HZ   LYS  69          3HZ       LYS  69  22.762  -2.722   9.132
  572    H    MET  70           H        MET  70  17.135  -2.616  12.591
  573    HA   MET  70           HA       MET  70  15.574  -0.807  14.313
  574   1HB   MET  70          1HB       MET  70  15.220  -3.198  14.528
  575   2HB   MET  70          2HB       MET  70  16.956  -3.454  14.829
  576   1HG   MET  70          1HG       MET  70  16.819  -2.213  16.925
  577   2HG   MET  70          2HG       MET  70  15.123  -1.803  16.612
  578   1HE   MET  70          1HE       MET  70  13.351  -3.927  16.089
  579   2HE   MET  70          2HE       MET  70  13.116  -4.791  17.628
  580   3HE   MET  70          3HE       MET  70  13.253  -3.016  17.614

  No H/Q in entry =         580
  Start of MODEL   13
    1    H1   ALA   1           H1       ALA   1 -14.249  16.226  -1.803
    2    H2   ALA   1           H2       ALA   1 -13.934  16.727  -0.276
    3    H3   ALA   1           H3       ALA   1 -12.981  17.217  -1.510
    4    HA   ALA   1           HA       ALA   1 -11.866  15.532  -0.283
    5   1HB   ALA   1          1HB       ALA   1 -14.319  13.873  -0.995
    6   2HB   ALA   1          2HB       ALA   1 -13.904  14.479   0.627
    7   3HB   ALA   1          3HB       ALA   1 -12.864  13.273  -0.165
    8    H    SER   2           H        SER   2 -10.239  15.370  -1.648
    9    HA   SER   2           HA       SER   2 -10.500  13.814  -4.089
   10   1HB   SER   2          1HB       SER   2 -10.495  16.739  -4.157
   11   2HB   SER   2          2HB       SER   2  -9.099  16.052  -5.022
   12    HG   SER   2           HG       SER   2 -11.027  16.243  -6.379
   13    H    ASN   3           H        ASN   3  -8.196  14.060  -5.250
   14    HA   ASN   3           HA       ASN   3  -5.922  14.487  -3.581
   15   1HB   ASN   3          1HB       ASN   3  -7.043  11.698  -3.849
   16   2HB   ASN   3          2HB       ASN   3  -5.282  11.931  -3.821
   17   2HD2  ASN   3          2HD2      ASN   3  -4.838  13.895  -2.053
   18   1HD2  ASN   3          1HD2      ASN   3  -5.431  13.472  -0.461
   19    H    TYR   4           H        TYR   4  -3.949  13.443  -4.681
   20    HA   TYR   4           HA       TYR   4  -3.784  14.375  -7.356
   21   1HB   TYR   4          1HB       TYR   4  -2.017  13.821  -5.389
   22   2HB   TYR   4          2HB       TYR   4  -1.882  12.314  -6.312
   23    HD1  TYR   4           HD1      TYR   4  -0.632  12.228  -8.314
   24    HD2  TYR   4           HD2      TYR   4  -1.832  16.075  -6.703
   25    HE1  TYR   4           HE1      TYR   4   0.999  13.368  -9.812
   26    HE2  TYR   4           HE2      TYR   4  -0.083  17.206  -8.089
   27    HH   TYR   4           HH       TYR   4   1.444  16.954  -9.656
   28    H    ASP   5           H        ASP   5  -3.365  13.153  -9.254
   29    HA   ASP   5           HA       ASP   5  -4.817  10.596  -9.353
   30   1HB   ASP   5          1HB       ASP   5  -4.554  11.045 -11.903
   31   2HB   ASP   5          2HB       ASP   5  -5.750  11.965 -10.964
   32    HD2  ASP   5           HD2      ASP   5  -4.094  14.943 -11.388
   33    H    CYS   6           H        CYS   6  -2.481  10.294  -8.082
   34    HA   CYS   6           HA       CYS   6  -0.193   9.862  -9.719
   35   1HB   CYS   6          1HB       CYS   6   0.045  10.173  -7.368
   36   2HB   CYS   6          2HB       CYS   6  -1.007   8.778  -7.019
   37    H    CYS   7           H        CYS   7  -1.003   6.985  -7.959
   38    HA   CYS   7           HA       CYS   7  -0.637   5.156  -9.992
   39   1HB   CYS   7          1HB       CYS   7  -1.636   5.197  -7.301
   40   2HB   CYS   7          2HB       CYS   7  -2.715   4.185  -8.291
   41    H    LEU   8           H        LEU   8  -2.289   3.782 -11.083
   42    HA   LEU   8           HA       LEU   8  -3.773   5.106 -12.893
   43   1HB   LEU   8          1HB       LEU   8  -3.603   2.399 -11.967
   44   2HB   LEU   8          2HB       LEU   8  -5.313   2.798 -12.264
   45    HG   LEU   8           HG       LEU   8  -4.447   1.893 -14.272
   46   1HD1  LEU   8          1HD1      LEU   8  -5.912   3.801 -14.631
   47   2HD1  LEU   8          2HD1      LEU   8  -4.506   4.894 -14.646
   48   3HD1  LEU   8          3HD1      LEU   8  -4.708   3.685 -15.931
   49   1HD2  LEU   8          1HD2      LEU   8  -2.070   2.097 -13.815
   50   2HD2  LEU   8          2HD2      LEU   8  -2.448   2.685 -15.449
   51   3HD2  LEU   8          3HD2      LEU   8  -2.144   3.846 -14.139
   52    H    SER   9           H        SER   9  -4.672   4.559  -9.560
   53    HA   SER   9           HA       SER   9  -6.340   6.583  -9.228
   54   1HB   SER   9          1HB       SER   9  -7.889   4.345 -10.458
   55   2HB   SER   9          2HB       SER   9  -8.603   5.087  -9.006
   56    HG   SER   9           HG       SER   9  -9.112   6.131 -11.141
   57    H    TYR  10           H        TYR  10  -6.948   6.697  -7.084
   58    HA   TYR  10           HA       TYR  10  -5.787   5.352  -5.044
   59   1HB   TYR  10          1HB       TYR  10  -7.403   7.346  -5.013
   60   2HB   TYR  10          2HB       TYR  10  -8.725   6.165  -5.057
   61    HD1  TYR  10           HD1      TYR  10  -8.852   4.419  -3.115
   62    HD2  TYR  10           HD2      TYR  10  -6.453   8.023  -3.001
   63    HE1  TYR  10           HE1      TYR  10  -8.646   4.172  -0.656
   64    HE2  TYR  10           HE2      TYR  10  -6.398   7.882  -0.509
   65    HH   TYR  10           HH       TYR  10  -6.956   6.694   1.271
   66    H    ILE  11           H        ILE  11  -6.458   3.651  -3.587
   67    HA   ILE  11           HA       ILE  11  -7.310   1.261  -4.826
   68    HB   ILE  11           HB       ILE  11  -6.361   2.096  -2.313
   69   1HG1  ILE  11          1HG1      ILE  11  -5.242   0.552  -3.672
   70   2HG1  ILE  11          2HG1      ILE  11  -5.741  -0.335  -2.211
   71   1HG2  ILE  11          1HG2      ILE  11  -8.497   1.774  -1.259
   72   2HG2  ILE  11          2HG2      ILE  11  -8.585   0.120  -1.915
   73   3HG2  ILE  11          3HG2      ILE  11  -7.354   0.538  -0.713
   74   1HD1  ILE  11          1HD1      ILE  11  -7.147  -0.428  -4.917
   75   2HD1  ILE  11          2HD1      ILE  11  -6.105  -1.706  -4.254
   76   3HD1  ILE  11          3HD1      ILE  11  -7.643  -1.315  -3.455
   77    H    GLN  12           H        GLN  12  -9.103   1.134  -5.877
   78    HA   GLN  12           HA       GLN  12 -11.501   2.386  -4.927
   79   1HB   GLN  12          1HB       GLN  12 -12.613   1.222  -6.759
   80   2HB   GLN  12          2HB       GLN  12 -11.119   2.027  -7.301
   81   1HG   GLN  12          1HG       GLN  12  -9.959  -0.009  -7.515
   82   2HG   GLN  12          2HG       GLN  12 -11.125  -0.887  -6.503
   83   2HE2  GLN  12          2HE2      GLN  12 -12.381  -2.212  -7.577
   84   1HE2  GLN  12          1HE2      GLN  12 -12.967  -2.002  -9.212
   85    H    THR  13           H        THR  13  -9.852  -0.312  -3.880
   86    HA   THR  13           HA       THR  13 -11.905  -1.225  -2.169
   87    HB   THR  13           HB       THR  13 -11.590  -2.606  -4.743
   88    HG1  THR  13           HG1      THR  13 -13.826  -3.049  -4.095
   89   1HG2  THR  13          1HG2      THR  13 -12.022  -4.262  -2.230
   90   2HG2  THR  13          2HG2      THR  13 -12.272  -4.836  -3.890
   91   3HG2  THR  13          3HG2      THR  13 -10.642  -4.405  -3.346
   92    HA   PRO  14           HA       PRO  14  -7.943  -2.052  -0.386
   93   1HB   PRO  14          1HB       PRO  14  -8.933  -1.890   2.206
   94   2HB   PRO  14          2HB       PRO  14  -8.341  -0.520   1.210
   95   1HG   PRO  14          1HG       PRO  14 -11.079  -1.187   2.009
   96   2HG   PRO  14          2HG       PRO  14 -10.390   0.396   1.520
   97   1HD   PRO  14          1HD       PRO  14 -11.945  -1.416  -0.075
   98   2HD   PRO  14          2HD       PRO  14 -11.047   0.020  -0.655
   99    H    LEU  15           H        LEU  15  -7.438  -4.119  -0.755
  100    HA   LEU  15           HA       LEU  15  -9.175  -6.211   0.281
  101   1HB   LEU  15          1HB       LEU  15  -7.475  -7.670  -0.989
  102   2HB   LEU  15          2HB       LEU  15  -8.689  -6.718  -1.875
  103    HG   LEU  15           HG       LEU  15  -6.048  -5.413  -1.418
  104   1HD1  LEU  15          1HD1      LEU  15  -6.550  -7.717  -3.355
  105   2HD1  LEU  15          2HD1      LEU  15  -5.094  -6.689  -3.309
  106   3HD1  LEU  15          3HD1      LEU  15  -5.470  -7.766  -1.940
  107   1HD2  LEU  15          1HD2      LEU  15  -7.944  -5.717  -3.795
  108   2HD2  LEU  15          2HD2      LEU  15  -7.896  -4.331  -2.679
  109   3HD2  LEU  15          3HD2      LEU  15  -6.506  -4.668  -3.740
  110    HA   PRO  16           HA       PRO  16  -6.614  -7.138   3.712
  111   1HB   PRO  16          1HB       PRO  16  -6.700  -9.903   3.882
  112   2HB   PRO  16          2HB       PRO  16  -8.021  -8.791   4.368
  113   1HG   PRO  16          1HG       PRO  16  -7.820 -10.504   1.948
  114   2HG   PRO  16          2HG       PRO  16  -9.287  -9.962   2.828
  115   1HD   PRO  16          1HD       PRO  16  -8.266  -8.898   0.410
  116   2HD   PRO  16          2HD       PRO  16  -9.449  -8.099   1.487
  117    H    SER  17           H        SER  17  -4.521  -7.733   4.354
  118    HA   SER  17           HA       SER  17  -2.553  -7.807   2.342
  119   1HB   SER  17          1HB       SER  17  -0.936  -8.066   4.054
  120   2HB   SER  17          2HB       SER  17  -2.238  -7.089   4.771
  121    HG   SER  17           HG       SER  17  -1.481  -8.859   6.153
  122    H    ARG  18           H        ARG  18  -4.550 -10.305   3.519
  123    HA   ARG  18           HA       ARG  18  -2.889 -12.588   3.178
  124   1HB   ARG  18          1HB       ARG  18  -5.642 -11.988   3.817
  125   2HB   ARG  18          2HB       ARG  18  -5.593 -13.238   2.550
  126   1HG   ARG  18          1HG       ARG  18  -3.778 -13.394   4.966
  127   2HG   ARG  18          2HG       ARG  18  -5.454 -13.989   5.043
  128   1HD   ARG  18          1HD       ARG  18  -5.048 -15.736   3.592
  129   2HD   ARG  18          2HD       ARG  18  -3.757 -14.867   2.733
  130    HE   ARG  18           HE       ARG  18  -2.627 -15.219   5.139
  131   1HH1  ARG  18          1HH1      ARG  18  -1.386 -16.986   5.830
  132   2HH1  ARG  18          2HH1      ARG  18  -1.664 -18.569   5.140
  133   1HH2  ARG  18          1HH2      ARG  18  -4.274 -17.518   3.049
  134   2HH2  ARG  18          2HH2      ARG  18  -3.297 -18.870   3.567
  135    H    ALA  19           H        ALA  19  -4.077 -10.328   0.924
  136    HA   ALA  19           HA       ALA  19  -3.806 -12.280  -1.307
  137   1HB   ALA  19          1HB       ALA  19  -5.239 -10.732  -2.579
  138   2HB   ALA  19          2HB       ALA  19  -6.069 -11.326  -1.119
  139   3HB   ALA  19          3HB       ALA  19  -5.386  -9.683  -1.146
  140    H    ILE  20           H        ILE  20  -2.060 -10.050   0.434
  141    HA   ILE  20           HA       ILE  20  -0.892  -8.687  -1.898
  142    HB   ILE  20           HB       ILE  20  -0.834  -8.373   1.093
  143   1HG1  ILE  20          1HG1      ILE  20  -1.575  -6.143   0.526
  144   2HG1  ILE  20          2HG1      ILE  20  -1.366  -6.497  -1.206
  145   1HG2  ILE  20          1HG2      ILE  20   1.514  -8.170   0.419
  146   2HG2  ILE  20          2HG2      ILE  20   1.063  -6.983  -0.828
  147   3HG2  ILE  20          3HG2      ILE  20   0.854  -6.589   0.892
  148   1HD1  ILE  20          1HD1      ILE  20  -3.499  -7.639   0.599
  149   2HD1  ILE  20          2HD1      ILE  20  -3.757  -6.370  -0.604
  150   3HD1  ILE  20          3HD1      ILE  20  -3.290  -7.990  -1.134
  151    H    VAL  21           H        VAL  21   0.616  -9.597  -2.942
  152    HA   VAL  21           HA       VAL  21   2.245 -11.682  -1.658
  153    HB   VAL  21           HB       VAL  21   1.118 -11.345  -4.188
  154   1HG1  VAL  21          1HG1      VAL  21   3.046 -10.087  -5.025
  155   2HG1  VAL  21          2HG1      VAL  21   4.136 -11.388  -4.491
  156   3HG1  VAL  21          3HG1      VAL  21   2.970 -11.682  -5.793
  157   1HG2  VAL  21          1HG2      VAL  21   1.417 -13.418  -2.900
  158   2HG2  VAL  21          2HG2      VAL  21   2.057 -13.604  -4.547
  159   3HG2  VAL  21          3HG2      VAL  21   3.173 -13.350  -3.187
  160    H    GLY  22           H        GLY  22   2.586  -8.538  -3.304
  161   1HA   GLY  22          1HA       GLY  22   5.206  -8.173  -3.569
  162   2HA   GLY  22          2HA       GLY  22   5.080  -8.047  -1.800
  163    H    PHE  23           H        PHE  23   5.099  -5.924  -1.235
  164    HA   PHE  23           HA       PHE  23   3.720  -3.997  -2.953
  165   1HB   PHE  23          1HB       PHE  23   2.772  -2.938  -0.956
  166   2HB   PHE  23          2HB       PHE  23   2.180  -4.594  -1.168
  167    HD1  PHE  23           HD1      PHE  23   3.764  -6.443   0.075
  168    HD2  PHE  23           HD2      PHE  23   3.295  -2.261   1.117
  169    HE1  PHE  23           HE1      PHE  23   4.612  -6.954   2.378
  170    HE2  PHE  23           HE2      PHE  23   3.944  -2.810   3.453
  171    HZ   PHE  23           HZ       PHE  23   4.672  -5.106   4.035
  172    H    THR  24           H        THR  24   4.224  -1.716  -2.242
  173    HA   THR  24           HA       THR  24   6.873  -1.426  -0.926
  174    HB   THR  24           HB       THR  24   6.262  -0.216  -3.641
  175    HG1  THR  24           HG1      THR  24   7.677  -2.038  -4.373
  176   1HG2  THR  24          1HG2      THR  24   8.879  -0.764  -2.152
  177   2HG2  THR  24          2HG2      THR  24   8.750  -0.034  -3.767
  178   3HG2  THR  24          3HG2      THR  24   8.122   0.836  -2.350
  179    H    ARG  25           H        ARG  25   7.374   1.058  -0.983
  180    HA   ARG  25           HA       ARG  25   5.047   2.343   0.309
  181   1HB   ARG  25          1HB       ARG  25   8.042   2.880   0.383
  182   2HB   ARG  25          2HB       ARG  25   6.834   3.959   1.123
  183   1HG   ARG  25          1HG       ARG  25   6.294   2.441   2.786
  184   2HG   ARG  25          2HG       ARG  25   6.685   1.030   1.774
  185   1HD   ARG  25          1HD       ARG  25   8.645   0.908   2.854
  186   2HD   ARG  25          2HD       ARG  25   9.106   2.418   2.041
  187    HE   ARG  25           HE       ARG  25   8.295   2.069   4.816
  188   1HH1  ARG  25          1HH1      ARG  25   8.446   3.868   6.207
  189   2HH1  ARG  25          2HH1      ARG  25   8.781   5.450   5.545
  190   1HH2  ARG  25          1HH2      ARG  25   8.832   4.363   2.219
  191   2HH2  ARG  25          2HH2      ARG  25   8.998   5.729   3.296
  192    H    GLN  26           H        GLN  26   4.200   4.241  -0.362
  193    HA   GLN  26           HA       GLN  26   5.372   5.391  -2.854
  194   1HB   GLN  26          1HB       GLN  26   3.106   4.096  -2.938
  195   2HB   GLN  26          2HB       GLN  26   2.453   5.578  -2.201
  196   1HG   GLN  26          1HG       GLN  26   3.189   6.906  -4.084
  197   2HG   GLN  26          2HG       GLN  26   4.044   5.516  -4.786
  198   2HE2  GLN  26          2HE2      GLN  26   0.822   6.213  -3.407
  199   1HE2  GLN  26          1HE2      GLN  26  -0.105   5.550  -4.734
  200    H    MET  27           H        MET  27   6.572   6.874  -1.855
  201    HA   MET  27           HA       MET  27   5.634   8.636   0.203
  202   1HB   MET  27          1HB       MET  27   7.904   8.976  -1.792
  203   2HB   MET  27          2HB       MET  27   7.719   9.812  -0.230
  204   1HG   MET  27          1HG       MET  27   7.746   6.829  -0.189
  205   2HG   MET  27          2HG       MET  27   9.275   7.642  -0.568
  206   1HE   MET  27          1HE       MET  27   7.132   6.231   2.151
  207   2HE   MET  27          2HE       MET  27   7.185   7.385   3.505
  208   3HE   MET  27          3HE       MET  27   6.260   7.779   2.038
  209    H    ALA  28           H        ALA  28   5.540  11.012  -0.076
  210    HA   ALA  28           HA       ALA  28   4.012  11.698  -2.526
  211   1HB   ALA  28          1HB       ALA  28   4.178  13.063   0.200
  212   2HB   ALA  28          2HB       ALA  28   2.860  12.003  -0.352
  213   3HB   ALA  28          3HB       ALA  28   3.139  13.567  -1.155
  214    H    ASP  29           H        ASP  29   5.311  12.495  -4.055
  215    HA   ASP  29           HA       ASP  29   6.606  14.915  -3.919
  216   1HB   ASP  29          1HB       ASP  29   8.280  12.863  -2.734
  217   2HB   ASP  29          2HB       ASP  29   9.017  13.470  -4.233
  218    HD2  ASP  29           HD2      ASP  29   8.864  15.877  -1.098
  219    H    GLU  30           H        GLU  30   7.665  11.678  -5.059
  220    HA   GLU  30           HA       GLU  30   8.406  12.478  -7.657
  221   1HB   GLU  30          1HB       GLU  30   8.801  10.278  -6.191
  222   2HB   GLU  30          2HB       GLU  30   7.454   9.684  -7.191
  223   1HG   GLU  30          1HG       GLU  30   8.978  10.975  -9.071
  224   2HG   GLU  30          2HG       GLU  30  10.238  10.395  -7.960
  225    H    ALA  31           H        ALA  31   6.840  10.274  -9.062
  226    HA   ALA  31           HA       ALA  31   4.854  11.750 -10.338
  227   1HB   ALA  31          1HB       ALA  31   4.067   9.543 -11.145
  228   2HB   ALA  31          2HB       ALA  31   5.844   9.647 -11.194
  229   3HB   ALA  31          3HB       ALA  31   5.040   8.737  -9.892
  230    H    CYS  32           H        CYS  32   4.838  10.294  -7.190
  231    HA   CYS  32           HA       CYS  32   1.911  10.468  -6.951
  232   1HB   CYS  32          1HB       CYS  32   3.878   8.693  -5.874
  233   2HB   CYS  32          2HB       CYS  32   3.168   9.628  -4.535
  234    H    ASP  33           H        ASP  33   0.969  11.994  -5.779
  235    HA   ASP  33           HA       ASP  33   2.814  13.908  -4.404
  236   1HB   ASP  33          1HB       ASP  33   1.216  14.555  -6.358
  237   2HB   ASP  33          2HB       ASP  33  -0.062  14.419  -5.131
  238    HD2  ASP  33           HD2      ASP  33   2.380  17.503  -5.031
  239    H    ILE  34           H        ILE  34   0.959  11.335  -3.732
  240    HA   ILE  34           HA       ILE  34   0.280  12.348  -1.069
  241    HB   ILE  34           HB       ILE  34  -1.832  11.008  -1.135
  242   1HG1  ILE  34          1HG1      ILE  34  -1.096  10.825  -4.031
  243   2HG1  ILE  34          2HG1      ILE  34  -1.575   9.540  -2.896
  244   1HG2  ILE  34          1HG2      ILE  34  -1.761  13.454  -1.181
  245   2HG2  ILE  34          2HG2      ILE  34  -1.616  13.434  -2.956
  246   3HG2  ILE  34          3HG2      ILE  34  -3.103  12.838  -2.178
  247   1HD1  ILE  34          1HD1      ILE  34  -3.412  11.657  -4.065
  248   2HD1  ILE  34          2HD1      ILE  34  -3.350   9.958  -4.571
  249   3HD1  ILE  34          3HD1      ILE  34  -3.890  10.370  -2.933
  250    H    ASN  35           H        ASN  35  -0.291  10.394   0.353
  251    HA   ASN  35           HA       ASN  35   1.936   8.483  -0.023
  252   1HB   ASN  35          1HB       ASN  35   0.103   8.888   2.364
  253   2HB   ASN  35          2HB       ASN  35   1.603   7.939   2.310
  254   2HD2  ASN  35          2HD2      ASN  35   0.161  10.970   2.818
  255   1HD2  ASN  35          1HD2      ASN  35   1.613  11.926   2.999
  256    H    ALA  36           H        ALA  36   1.581   6.364  -0.421
  257    HA   ALA  36           HA       ALA  36  -0.906   5.082   0.161
  258   1HB   ALA  36          1HB       ALA  36  -1.546   4.461  -2.126
  259   2HB   ALA  36          2HB       ALA  36  -0.255   5.501  -2.768
  260   3HB   ALA  36          3HB       ALA  36  -1.616   6.222  -1.877
  261    H    ILE  37           H        ILE  37  -0.868   2.778  -0.306
  262    HA   ILE  37           HA       ILE  37   1.936   1.833  -0.255
  263    HB   ILE  37           HB       ILE  37  -0.517   0.251   0.469
  264   1HG1  ILE  37          1HG1      ILE  37  -0.713   2.230   1.766
  265   2HG1  ILE  37          2HG1      ILE  37  -0.128   0.915   2.813
  266   1HG2  ILE  37          1HG2      ILE  37   1.571  -0.995   0.170
  267   2HG2  ILE  37          2HG2      ILE  37   2.384   0.063   1.348
  268   3HG2  ILE  37          3HG2      ILE  37   1.067  -1.010   1.875
  269   1HD1  ILE  37          1HD1      ILE  37   1.572   3.167   1.670
  270   2HD1  ILE  37          2HD1      ILE  37   1.015   3.056   3.350
  271   3HD1  ILE  37          3HD1      ILE  37   2.155   1.853   2.720
  272    H    ILE  38           H        ILE  38   2.720   1.064  -2.033
  273    HA   ILE  38           HA       ILE  38   0.968   0.354  -4.283
  274    HB   ILE  38           HB       ILE  38   3.932   0.708  -3.823
  275   1HG1  ILE  38          1HG1      ILE  38   2.226   1.948  -5.975
  276   2HG1  ILE  38          2HG1      ILE  38   2.150   2.578  -4.313
  277   1HG2  ILE  38          1HG2      ILE  38   2.591  -0.167  -6.415
  278   2HG2  ILE  38          2HG2      ILE  38   4.300   0.286  -6.245
  279   3HG2  ILE  38          3HG2      ILE  38   3.686  -1.166  -5.430
  280   1HD1  ILE  38          1HD1      ILE  38   4.605   2.899  -4.323
  281   2HD1  ILE  38          2HD1      ILE  38   4.681   2.268  -5.985
  282   3HD1  ILE  38          3HD1      ILE  38   3.840   3.800  -5.652
  283    H    PHE  39           H        PHE  39  -0.072  -1.498  -3.670
  284    HA   PHE  39           HA       PHE  39   1.404  -3.850  -2.748
  285   1HB   PHE  39          1HB       PHE  39  -1.511  -3.266  -3.276
  286   2HB   PHE  39          2HB       PHE  39  -0.909  -4.879  -2.859
  287    HD1  PHE  39           HD1      PHE  39   0.545  -5.085  -0.791
  288    HD2  PHE  39           HD2      PHE  39  -1.983  -1.661  -1.475
  289    HE1  PHE  39           HE1      PHE  39   0.354  -4.768   1.661
  290    HE2  PHE  39           HE2      PHE  39  -2.125  -1.296   0.980
  291    HZ   PHE  39           HZ       PHE  39  -1.025  -2.875   2.547
  292    H    HIS  40           H        HIS  40   1.251  -5.901  -3.838
  293    HA   HIS  40           HA       HIS  40   0.545  -5.854  -6.724
  294   1HB   HIS  40          1HB       HIS  40   3.218  -6.939  -5.801
  295   2HB   HIS  40          2HB       HIS  40   2.653  -6.649  -7.457
  296    HD1  HIS  40           HD1      HIS  40   2.222  -3.962  -7.915
  297    HD2  HIS  40           HD2      HIS  40   4.759  -4.991  -4.840
  298    HE1  HIS  40           HE1      HIS  40   3.767  -1.973  -7.570
  299    HE2  HIS  40           HE2      HIS  40   5.152  -2.549  -5.499
  300    H    THR  41           H        THR  41  -1.163  -7.002  -5.479
  301    HA   THR  41           HA       THR  41  -0.833  -9.439  -4.142
  302    HB   THR  41           HB       THR  41  -3.171  -9.733  -4.656
  303    HG1  THR  41           HG1      THR  41  -4.051  -8.258  -6.345
  304   1HG2  THR  41          1HG2      THR  41  -2.595  -6.761  -4.487
  305   2HG2  THR  41          2HG2      THR  41  -4.151  -7.539  -4.124
  306   3HG2  THR  41          3HG2      THR  41  -2.732  -7.879  -3.110
  307    H    LYS  42           H        LYS  42  -2.115 -11.460  -5.362
  308    HA   LYS  42           HA       LYS  42  -0.241 -12.121  -7.561
  309   1HB   LYS  42          1HB       LYS  42  -0.640 -14.435  -7.035
  310   2HB   LYS  42          2HB       LYS  42  -0.238 -13.558  -5.540
  311   1HG   LYS  42          1HG       LYS  42  -2.792 -13.355  -5.194
  312   2HG   LYS  42          2HG       LYS  42  -2.931 -14.607  -6.452
  313   1HD   LYS  42          1HD       LYS  42  -2.494 -16.189  -4.908
  314   2HD   LYS  42          2HD       LYS  42  -0.905 -15.445  -4.606
  315   1HE   LYS  42          1HE       LYS  42  -2.627 -13.708  -3.303
  316   2HE   LYS  42          2HE       LYS  42  -3.402 -15.283  -3.025
  317   1HZ   LYS  42          1HZ       LYS  42  -1.271 -16.079  -2.228
  318   2HZ   LYS  42          2HZ       LYS  42  -0.611 -14.598  -2.463
  319   3HZ   LYS  42          3HZ       LYS  42  -1.785 -14.804  -1.366
  320    H    LYS  43           H        LYS  43  -3.370 -11.045  -7.069
  321    HA   LYS  43           HA       LYS  43  -4.134 -11.875  -9.777
  322   1HB   LYS  43          1HB       LYS  43  -5.093 -13.413  -7.855
  323   2HB   LYS  43          2HB       LYS  43  -6.225 -12.059  -7.628
  324   1HG   LYS  43          1HG       LYS  43  -6.361 -12.270 -10.317
  325   2HG   LYS  43          2HG       LYS  43  -5.942 -13.957  -9.929
  326   1HD   LYS  43          1HD       LYS  43  -7.839 -13.599  -8.072
  327   2HD   LYS  43          2HD       LYS  43  -8.402 -12.385  -9.245
  328   1HE   LYS  43          1HE       LYS  43  -9.263 -14.001 -10.559
  329   2HE   LYS  43          2HE       LYS  43  -7.687 -14.817 -10.642
  330   1HZ   LYS  43          1HZ       LYS  43  -8.190 -15.837  -8.527
  331   2HZ   LYS  43          2HZ       LYS  43  -9.654 -15.084  -8.476
  332   3HZ   LYS  43          3HZ       LYS  43  -9.344 -16.193  -9.625
  333    H    ARG  44           H        ARG  44  -3.110  -9.410  -8.731
  334    HA   ARG  44           HA       ARG  44  -5.088  -7.602  -9.790
  335   1HB   ARG  44          1HB       ARG  44  -5.345  -8.123  -7.039
  336   2HB   ARG  44          2HB       ARG  44  -4.417  -6.606  -7.130
  337   1HG   ARG  44          1HG       ARG  44  -6.163  -5.597  -8.492
  338   2HG   ARG  44          2HG       ARG  44  -7.082  -7.121  -8.467
  339   1HD   ARG  44          1HD       ARG  44  -6.219  -5.881  -5.863
  340   2HD   ARG  44          2HD       ARG  44  -7.608  -5.187  -6.728
  341    HE   ARG  44           HE       ARG  44  -7.631  -7.504  -5.124
  342   1HH1  ARG  44          1HH1      ARG  44  -9.419  -8.916  -5.097
  343   2HH1  ARG  44          2HH1      ARG  44 -10.543  -8.921  -6.435
  344   1HH2  ARG  44          1HH2      ARG  44  -8.860  -6.463  -8.253
  345   2HH2  ARG  44          2HH2      ARG  44 -10.232  -7.544  -8.209
  346    H    LYS  45           H        LYS  45  -4.027  -6.106 -10.772
  347    HA   LYS  45           HA       LYS  45  -1.198  -5.931 -10.770
  348   1HB   LYS  45          1HB       LYS  45  -1.514  -4.036 -12.226
  349   2HB   LYS  45          2HB       LYS  45  -2.704  -5.292 -12.645
  350   1HG   LYS  45          1HG       LYS  45  -4.470  -4.066 -11.520
  351   2HG   LYS  45          2HG       LYS  45  -3.304  -2.865 -10.914
  352   1HD   LYS  45          1HD       LYS  45  -2.718  -2.611 -13.489
  353   2HD   LYS  45          2HD       LYS  45  -4.355  -3.277 -13.705
  354   1HE   LYS  45          1HE       LYS  45  -5.386  -1.420 -12.740
  355   2HE   LYS  45          2HE       LYS  45  -3.980  -1.034 -11.725
  356   1HZ   LYS  45          1HZ       LYS  45  -2.818  -0.364 -13.714
  357   2HZ   LYS  45          2HZ       LYS  45  -4.142  -0.693 -14.642
  358   3HZ   LYS  45          3HZ       LYS  45  -4.193   0.489 -13.522
  359    H    SER  46           H        SER  46  -0.318  -3.426 -10.539
  360    HA   SER  46           HA       SER  46   0.248  -3.004  -7.897
  361   1HB   SER  46          1HB       SER  46  -0.006  -0.417  -9.046
  362   2HB   SER  46          2HB       SER  46   1.470  -1.389  -8.836
  363    HG   SER  46           HG       SER  46   1.110  -0.763 -11.043
  364    H    VAL  47           H        VAL  47  -0.804  -2.445  -6.166
  365    HA   VAL  47           HA       VAL  47  -3.433  -1.056  -6.451
  366    HB   VAL  47           HB       VAL  47  -2.545  -3.438  -4.938
  367   1HG1  VAL  47          1HG1      VAL  47  -3.114  -2.009  -3.055
  368   2HG1  VAL  47          2HG1      VAL  47  -4.702  -1.663  -3.784
  369   3HG1  VAL  47          3HG1      VAL  47  -4.314  -3.303  -3.234
  370   1HG2  VAL  47          1HG2      VAL  47  -3.964  -3.617  -6.918
  371   2HG2  VAL  47          2HG2      VAL  47  -4.819  -4.216  -5.482
  372   3HG2  VAL  47          3HG2      VAL  47  -5.203  -2.609  -6.135
  373    H    CYS  48           H        CYS  48  -3.106   0.985  -5.969
  374    HA   CYS  48           HA       CYS  48  -1.205   1.663  -3.793
  375   1HB   CYS  48          1HB       CYS  48  -2.535   3.299  -5.971
  376   2HB   CYS  48          2HB       CYS  48  -1.601   4.017  -4.636
  377    H    ALA  49           H        ALA  49  -2.003   1.957  -1.844
  378    HA   ALA  49           HA       ALA  49  -4.753   3.073  -1.570
  379   1HB   ALA  49          1HB       ALA  49  -4.736   0.641  -1.099
  380   2HB   ALA  49          2HB       ALA  49  -5.044   1.582   0.379
  381   3HB   ALA  49          3HB       ALA  49  -3.432   0.886   0.088
  382    H    ASP  50           H        ASP  50  -4.924   4.763  -0.216
  383    HA   ASP  50           HA       ASP  50  -2.614   6.015   0.841
  384   1HB   ASP  50          1HB       ASP  50  -5.370   6.595   0.606
  385   2HB   ASP  50          2HB       ASP  50  -4.993   6.698   2.340
  386    HD2  ASP  50           HD2      ASP  50  -3.460   9.713   1.926
  387    HA   PRO  51           HA       PRO  51  -2.080   3.700   4.566
  388   1HB   PRO  51          1HB       PRO  51  -0.249   5.296   5.835
  389   2HB   PRO  51          2HB       PRO  51   0.108   4.199   4.459
  390   1HG   PRO  51          1HG       PRO  51  -0.172   7.150   4.471
  391   2HG   PRO  51          2HG       PRO  51   0.836   6.116   3.408
  392   1HD   PRO  51          1HD       PRO  51  -1.679   7.282   2.795
  393   2HD   PRO  51          2HD       PRO  51  -0.865   5.978   1.879
  394    H    LYS  52           H        LYS  52  -4.482   4.825   4.527
  395    HA   LYS  52           HA       LYS  52  -4.688   6.143   7.195
  396   1HB   LYS  52          1HB       LYS  52  -6.636   6.538   4.916
  397   2HB   LYS  52          2HB       LYS  52  -6.445   7.505   6.399
  398   1HG   LYS  52          1HG       LYS  52  -4.441   7.339   4.117
  399   2HG   LYS  52          2HG       LYS  52  -5.587   8.673   4.395
  400   1HD   LYS  52          1HD       LYS  52  -3.950   8.152   6.754
  401   2HD   LYS  52          2HD       LYS  52  -2.955   8.508   5.321
  402   1HE   LYS  52          1HE       LYS  52  -4.305  10.527   4.890
  403   2HE   LYS  52          2HE       LYS  52  -5.296  10.171   6.321
  404   1HZ   LYS  52          1HZ       LYS  52  -2.409  10.654   6.330
  405   2HZ   LYS  52          2HZ       LYS  52  -3.562  11.721   6.788
  406   3HZ   LYS  52          3HZ       LYS  52  -3.333  10.358   7.655
  407    H    GLN  53           H        GLN  53  -4.819   3.267   6.000
  408    HA   GLN  53           HA       GLN  53  -7.399   2.549   7.268
  409   1HB   GLN  53          1HB       GLN  53  -6.068   0.969   5.069
  410   2HB   GLN  53          2HB       GLN  53  -7.748   0.883   5.650
  411   1HG   GLN  53          1HG       GLN  53  -7.385   3.527   4.765
  412   2HG   GLN  53          2HG       GLN  53  -6.592   2.504   3.548
  413   2HE2  GLN  53          2HE2      GLN  53  -8.250   3.462   2.196
  414   1HE2  GLN  53          1HE2      GLN  53  -9.792   2.647   2.088
  415    H    ASN  54           H        ASN  54  -7.331   0.101   7.806
  416    HA   ASN  54           HA       ASN  54  -5.098  -0.288   9.625
  417   1HB   ASN  54          1HB       ASN  54  -7.822  -1.182   9.437
  418   2HB   ASN  54          2HB       ASN  54  -6.763  -2.607   9.486
  419   2HD2  ASN  54          2HD2      ASN  54  -5.400  -2.948  11.258
  420   1HD2  ASN  54          1HD2      ASN  54  -5.636  -2.119  12.780
  421    H    TRP  55           H        TRP  55  -6.687  -2.373   7.122
  422    HA   TRP  55           HA       TRP  55  -4.876  -4.358   6.857
  423   1HB   TRP  55          1HB       TRP  55  -5.655  -4.694   4.619
  424   2HB   TRP  55          2HB       TRP  55  -7.011  -4.090   5.580
  425    HD1  TRP  55           HD1      TRP  55  -7.562  -1.366   5.202
  426    HE1  TRP  55           HE1      TRP  55  -7.407   0.056   3.098
  427    HE3  TRP  55           HE3      TRP  55  -4.446  -4.332   2.545
  428    HZ2  TRP  55           HZ2      TRP  55  -6.180  -0.134   0.551
  429    HZ3  TRP  55           HZ3      TRP  55  -4.102  -3.873   0.130
  430    HH2  TRP  55           HH2      TRP  55  -4.944  -1.752  -0.863
  431    H    VAL  56           H        VAL  56  -4.623  -1.115   5.449
  432    HA   VAL  56           HA       VAL  56  -2.161  -1.470   4.053
  433    HB   VAL  56           HB       VAL  56  -3.839   0.813   5.004
  434   1HG1  VAL  56          1HG1      VAL  56  -1.571   1.547   5.622
  435   2HG1  VAL  56          2HG1      VAL  56  -0.998   1.160   3.981
  436   3HG1  VAL  56          3HG1      VAL  56  -2.177   2.466   4.225
  437   1HG2  VAL  56          1HG2      VAL  56  -4.230  -0.296   2.842
  438   2HG2  VAL  56          2HG2      VAL  56  -3.708   1.391   2.609
  439   3HG2  VAL  56          3HG2      VAL  56  -2.555   0.060   2.355
  440    H    LYS  57           H        LYS  57  -2.828   0.080   7.273
  441    HA   LYS  57           HA       LYS  57  -0.185   0.471   8.026
  442   1HB   LYS  57          1HB       LYS  57  -1.045   1.120   9.996
  443   2HB   LYS  57          2HB       LYS  57  -2.607   0.962   9.156
  444   1HG   LYS  57          1HG       LYS  57  -2.974  -1.214  10.119
  445   2HG   LYS  57          2HG       LYS  57  -1.341  -1.227  10.827
  446   1HD   LYS  57          1HD       LYS  57  -2.597   1.091  11.811
  447   2HD   LYS  57          2HD       LYS  57  -3.803  -0.215  11.917
  448   1HE   LYS  57          1HE       LYS  57  -2.698  -0.673  13.884
  449   2HE   LYS  57          2HE       LYS  57  -1.602  -1.552  12.798
  450   1HZ   LYS  57          1HZ       LYS  57  -1.290   1.231  13.654
  451   2HZ   LYS  57          2HZ       LYS  57  -0.456  -0.037  14.249
  452   3HZ   LYS  57          3HZ       LYS  57  -0.235   0.410  12.702
  453    H    ARG  58           H        ARG  58  -2.206  -2.479   8.262
  454    HA   ARG  58           HA       ARG  58  -0.414  -4.059   9.768
  455   1HB   ARG  58          1HB       ARG  58  -2.939  -4.358   8.632
  456   2HB   ARG  58          2HB       ARG  58  -1.941  -5.533   7.740
  457   1HG   ARG  58          1HG       ARG  58  -2.722  -6.752   9.604
  458   2HG   ARG  58          2HG       ARG  58  -1.080  -6.259  10.080
  459   1HD   ARG  58          1HD       ARG  58  -1.841  -4.758  11.656
  460   2HD   ARG  58          2HD       ARG  58  -3.286  -4.338  10.710
  461    HE   ARG  58           HE       ARG  58  -3.818  -6.882  11.401
  462   1HH1  ARG  58          1HH1      ARG  58  -4.849  -7.620  13.285
  463   2HH1  ARG  58          2HH1      ARG  58  -4.717  -6.699  14.764
  464   1HH2  ARG  58          1HH2      ARG  58  -2.715  -4.183  13.371
  465   2HH2  ARG  58          2HH2      ARG  58  -3.514  -4.761  14.813
  466    H    ALA  59           H        ALA  59  -1.029  -4.037   6.177
  467    HA   ALA  59           HA       ALA  59   1.118  -5.768   5.551
  468   1HB   ALA  59          1HB       ALA  59  -0.156  -3.500   3.990
  469   2HB   ALA  59          2HB       ALA  59   0.810  -4.832   3.306
  470   3HB   ALA  59          3HB       ALA  59  -0.756  -5.174   4.083
  471    H    VAL  60           H        VAL  60   0.977  -2.226   5.987
  472    HA   VAL  60           HA       VAL  60   3.734  -1.792   5.232
  473    HB   VAL  60           HB       VAL  60   1.816  -0.005   6.770
  474   1HG1  VAL  60          1HG1      VAL  60   4.338   0.674   5.205
  475   2HG1  VAL  60          2HG1      VAL  60   3.243   1.853   5.959
  476   3HG1  VAL  60          3HG1      VAL  60   4.170   0.728   6.977
  477   1HG2  VAL  60          1HG2      VAL  60   0.993  -0.689   4.536
  478   2HG2  VAL  60          2HG2      VAL  60   1.446   1.031   4.552
  479   3HG2  VAL  60          3HG2      VAL  60   2.533  -0.168   3.813
  480    H    ASN  61           H        ASN  61   2.068  -2.842   8.095
  481    HA   ASN  61           HA       ASN  61   3.861  -2.003  10.084
  482   1HB   ASN  61          1HB       ASN  61   1.520  -3.018  10.360
  483   2HB   ASN  61          2HB       ASN  61   2.286  -4.603  10.110
  484   2HD2  ASN  61          2HD2      ASN  61   1.394  -5.053  12.213
  485   1HD2  ASN  61          1HD2      ASN  61   2.279  -4.569  13.640
  486    H    LEU  62           H        LEU  62   3.492  -5.249   8.547
  487    HA   LEU  62           HA       LEU  62   5.911  -6.300   9.582
  488   1HB   LEU  62          1HB       LEU  62   4.233  -7.033   7.185
  489   2HB   LEU  62          2HB       LEU  62   5.753  -7.880   7.559
  490    HG   LEU  62           HG       LEU  62   4.560  -7.943   9.997
  491   1HD1  LEU  62          1HD1      LEU  62   2.479  -6.880   9.187
  492   2HD1  LEU  62          2HD1      LEU  62   2.294  -8.164   7.968
  493   3HD1  LEU  62          3HD1      LEU  62   2.175  -8.555   9.698
  494   1HD2  LEU  62          1HD2      LEU  62   5.542  -9.840   8.745
  495   2HD2  LEU  62          2HD2      LEU  62   3.961 -10.282   9.432
  496   3HD2  LEU  62          3HD2      LEU  62   4.101  -9.899   7.701
  497    H    LEU  63           H        LEU  63   5.209  -4.458   6.594
  498    HA   LEU  63           HA       LEU  63   7.885  -4.644   5.556
  499   1HB   LEU  63          1HB       LEU  63   6.529  -4.065   3.904
  500   2HB   LEU  63          2HB       LEU  63   5.421  -3.170   4.970
  501    HG   LEU  63           HG       LEU  63   8.050  -1.958   4.245
  502   1HD1  LEU  63          1HD1      LEU  63   7.159  -2.665   2.076
  503   2HD1  LEU  63          2HD1      LEU  63   5.606  -1.879   2.453
  504   3HD1  LEU  63          3HD1      LEU  63   7.075  -0.900   2.247
  505   1HD2  LEU  63          1HD2      LEU  63   6.584  -0.910   5.921
  506   2HD2  LEU  63          2HD2      LEU  63   6.724   0.112   4.474
  507   3HD2  LEU  63          3HD2      LEU  63   5.258  -0.859   4.734
  508    H    SER  64           H        SER  64   6.326  -2.616   7.961
  509    HA   SER  64           HA       SER  64   8.027  -0.398   7.931
  510   1HB   SER  64          1HB       SER  64   5.882  -1.289   9.515
  511   2HB   SER  64          2HB       SER  64   7.253  -1.198  10.645
  512    HG   SER  64           HG       SER  64   6.088   0.782  10.487
  513    H    LEU  65           H        LEU  65   8.157  -3.446   9.892
  514    HA   LEU  65           HA       LEU  65  10.716  -2.814  11.045
  515   1HB   LEU  65          1HB       LEU  65   9.183  -5.421  10.789
  516   2HB   LEU  65          2HB       LEU  65  10.690  -5.224  11.718
  517    HG   LEU  65           HG       LEU  65   8.600  -3.237  12.334
  518   1HD1  LEU  65          1HD1      LEU  65   7.178  -5.196  11.897
  519   2HD1  LEU  65          2HD1      LEU  65   8.160  -6.170  13.017
  520   3HD1  LEU  65          3HD1      LEU  65   7.200  -4.803  13.633
  521   1HD2  LEU  65          1HD2      LEU  65  10.675  -3.425  13.635
  522   2HD2  LEU  65          2HD2      LEU  65   9.257  -3.751  14.658
  523   3HD2  LEU  65          3HD2      LEU  65  10.256  -5.100  14.074
  524    H    ARG  66           H        ARG  66   9.676  -4.151   8.000
  525    HA   ARG  66           HA       ARG  66  12.157  -5.491   7.335
  526   1HB   ARG  66          1HB       ARG  66   9.545  -5.476   6.328
  527   2HB   ARG  66          2HB       ARG  66  10.508  -4.674   5.064
  528   1HG   ARG  66          1HG       ARG  66  12.104  -6.825   5.877
  529   2HG   ARG  66          2HG       ARG  66  10.452  -7.489   5.862
  530   1HD   ARG  66          1HD       ARG  66  10.646  -5.883   3.546
  531   2HD   ARG  66          2HD       ARG  66  12.176  -6.783   3.630
  532    HE   ARG  66           HE       ARG  66   9.942  -8.492   4.162
  533   1HH1  ARG  66          1HH1      ARG  66   9.272 -10.002   2.602
  534   2HH1  ARG  66          2HH1      ARG  66   9.768  -9.820   0.936
  535   1HH2  ARG  66          1HH2      ARG  66  11.624  -6.900   1.499
  536   2HH2  ARG  66          2HH2      ARG  66  11.098  -8.068   0.307
  537    H    VAL  67           H        VAL  67  10.515  -2.467   6.190
  538    HA   VAL  67           HA       VAL  67  13.014  -1.535   4.951
  539    HB   VAL  67           HB       VAL  67  10.590  -1.528   4.000
  540   1HG1  VAL  67          1HG1      VAL  67   9.495  -0.296   5.798
  541   2HG1  VAL  67          2HG1      VAL  67  10.560   1.100   5.506
  542   3HG1  VAL  67          3HG1      VAL  67   9.387   0.601   4.269
  543   1HG2  VAL  67          1HG2      VAL  67  12.612  -0.728   2.887
  544   2HG2  VAL  67          2HG2      VAL  67  11.242   0.357   2.559
  545   3HG2  VAL  67          3HG2      VAL  67  12.484   0.828   3.743
  546    H    LYS  68           H        LYS  68  12.951  -1.856   7.823
  547    HA   LYS  68           HA       LYS  68  13.991   0.738   8.542
  548   1HB   LYS  68          1HB       LYS  68  11.349   0.762   8.802
  549   2HB   LYS  68          2HB       LYS  68  11.752  -0.056  10.332
  550   1HG   LYS  68          1HG       LYS  68  11.881   2.011  11.175
  551   2HG   LYS  68          2HG       LYS  68  13.461   2.092  10.359
  552   1HD   LYS  68          1HD       LYS  68  12.646   3.392   8.618
  553   2HD   LYS  68          2HD       LYS  68  10.988   2.768   8.786
  554   1HE   LYS  68          1HE       LYS  68  10.514   4.144  10.621
  555   2HE   LYS  68          2HE       LYS  68  12.229   4.344  11.041
  556   1HZ   LYS  68          1HZ       LYS  68  10.916   5.481   8.683
  557   2HZ   LYS  68          2HZ       LYS  68  11.304   6.292  10.051
  558   3HZ   LYS  68          3HZ       LYS  68  12.487   5.670   9.111
  559    H    LYS  69           H        LYS  69  15.769  -0.414   8.905
  560    HA   LYS  69           HA       LYS  69  15.805  -2.700  10.699
  561   1HB   LYS  69          1HB       LYS  69  17.381  -1.927   8.649
  562   2HB   LYS  69          2HB       LYS  69  18.307  -1.247  10.009
  563   1HG   LYS  69          1HG       LYS  69  19.009  -3.281  10.655
  564   2HG   LYS  69          2HG       LYS  69  17.353  -3.934  10.612
  565   1HD   LYS  69          1HD       LYS  69  18.866  -3.506   8.046
  566   2HD   LYS  69          2HD       LYS  69  19.205  -4.936   9.050
  567   1HE   LYS  69          1HE       LYS  69  16.644  -5.331   9.003
  568   2HE   LYS  69          2HE       LYS  69  16.625  -4.167   7.660
  569   1HZ   LYS  69          1HZ       LYS  69  18.248  -6.610   7.772
  570   2HZ   LYS  69          2HZ       LYS  69  16.873  -6.422   6.917
  571   3HZ   LYS  69          3HZ       LYS  69  18.188  -5.545   6.512
  572    H    MET  70           H        MET  70  17.849  -2.345  12.374
  573    HA   MET  70           HA       MET  70  17.974   0.052  13.857
  574   1HB   MET  70          1HB       MET  70  15.491  -0.939  14.182
  575   2HB   MET  70          2HB       MET  70  16.332  -1.876  15.440
  576   1HG   MET  70          1HG       MET  70  15.556   0.088  16.531
  577   2HG   MET  70          2HG       MET  70  17.289   0.344  16.269
  578   1HE   MET  70          1HE       MET  70  18.312   2.211  14.941
  579   2HE   MET  70          2HE       MET  70  17.373   3.721  14.846
  580   3HE   MET  70          3HE       MET  70  17.495   2.845  16.392

  No H/Q in entry =         580
  Start of MODEL   14
    1    H1   ALA   1           H1       ALA   1 -13.914   8.487  -1.435
    2    H2   ALA   1           H2       ALA   1 -13.244   8.233   0.044
    3    H3   ALA   1           H3       ALA   1 -13.029   9.654  -0.712
    4    HA   ALA   1           HA       ALA   1 -11.035   8.416  -0.929
    5   1HB   ALA   1          1HB       ALA   1 -12.848   6.302  -2.158
    6   2HB   ALA   1          2HB       ALA   1 -11.075   6.210  -2.037
    7   3HB   ALA   1          3HB       ALA   1 -12.068   6.208  -0.560
    8    H    SER   2           H        SER   2 -10.175   9.799  -2.274
    9    HA   SER   2           HA       SER   2 -10.044   9.644  -5.014
   10   1HB   SER   2          1HB       SER   2 -12.380  11.272  -4.129
   11   2HB   SER   2          2HB       SER   2 -11.265  12.098  -5.243
   12    HG   SER   2           HG       SER   2 -13.064  10.670  -6.171
   13    H    ASN   3           H        ASN   3  -8.689  11.259  -5.867
   14    HA   ASN   3           HA       ASN   3  -7.936  13.659  -4.771
   15   1HB   ASN   3          1HB       ASN   3  -7.014  11.658  -3.046
   16   2HB   ASN   3          2HB       ASN   3  -5.596  12.042  -4.045
   17   2HD2  ASN   3          2HD2      ASN   3  -6.331  14.813  -4.570
   18   1HD2  ASN   3          1HD2      ASN   3  -6.104  15.701  -3.074
   19    H    TYR   4           H        TYR   4  -5.085  13.512  -5.279
   20    HA   TYR   4           HA       TYR   4  -4.688  13.988  -7.911
   21   1HB   TYR   4          1HB       TYR   4  -3.142  14.002  -5.782
   22   2HB   TYR   4          2HB       TYR   4  -2.720  12.355  -6.281
   23    HD1  TYR   4           HD1      TYR   4  -3.268  15.616  -8.158
   24    HD2  TYR   4           HD2      TYR   4  -0.672  12.264  -7.303
   25    HE1  TYR   4           HE1      TYR   4  -1.545  16.562  -9.706
   26    HE2  TYR   4           HE2      TYR   4   1.059  13.204  -8.849
   27    HH   TYR   4           HH       TYR   4   1.603  14.872 -10.200
   28    H    ASP   5           H        ASP   5  -3.955  12.848  -9.721
   29    HA   ASP   5           HA       ASP   5  -4.777  10.001  -9.813
   30   1HB   ASP   5          1HB       ASP   5  -4.788  12.272 -11.767
   31   2HB   ASP   5          2HB       ASP   5  -4.601  10.614 -12.379
   32    HD2  ASP   5           HD2      ASP   5  -7.933  10.005 -12.034
   33    H    CYS   6           H        CYS   6  -2.439  10.206  -8.578
   34    HA   CYS   6           HA       CYS   6  -0.170  10.332 -10.385
   35   1HB   CYS   6          1HB       CYS   6   0.320  11.063  -8.268
   36   2HB   CYS   6          2HB       CYS   6  -0.566   9.726  -7.490
   37    H    CYS   7           H        CYS   7  -0.530   7.636  -8.084
   38    HA   CYS   7           HA       CYS   7   0.396   5.572  -9.649
   39   1HB   CYS   7          1HB       CYS   7   0.089   5.313  -7.326
   40   2HB   CYS   7          2HB       CYS   7  -1.604   5.863  -7.404
   41    H    LEU   8           H        LEU   8  -0.702   3.859 -10.731
   42    HA   LEU   8           HA       LEU   8  -2.204   4.442 -12.857
   43   1HB   LEU   8          1HB       LEU   8  -3.086   2.058 -12.772
   44   2HB   LEU   8          2HB       LEU   8  -1.325   2.317 -12.815
   45    HG   LEU   8           HG       LEU   8  -2.514   2.090 -10.108
   46   1HD1  LEU   8          1HD1      LEU   8  -3.871   0.434 -11.293
   47   2HD1  LEU   8          2HD1      LEU   8  -2.397  -0.324 -11.941
   48   3HD1  LEU   8          3HD1      LEU   8  -2.721  -0.357 -10.192
   49   1HD2  LEU   8          1HD2      LEU   8  -0.090   2.293 -10.477
   50   2HD2  LEU   8          2HD2      LEU   8  -0.486   0.738  -9.709
   51   3HD2  LEU   8          3HD2      LEU   8  -0.103   0.798 -11.445
   52    H    SER   9           H        SER   9  -3.622   3.645  -9.687
   53    HA   SER   9           HA       SER   9  -5.616   5.505  -9.766
   54   1HB   SER   9          1HB       SER   9  -7.655   4.499 -10.229
   55   2HB   SER   9          2HB       SER   9  -6.619   3.894 -11.543
   56    HG   SER   9           HG       SER   9  -7.937   2.245 -10.593
   57    H    TYR  10           H        TYR  10  -6.301   5.741  -7.712
   58    HA   TYR  10           HA       TYR  10  -5.333   4.601  -5.439
   59   1HB   TYR  10          1HB       TYR  10  -6.972   6.549  -5.763
   60   2HB   TYR  10          2HB       TYR  10  -8.258   5.332  -5.824
   61    HD1  TYR  10           HD1      TYR  10  -8.588   3.801  -3.760
   62    HD2  TYR  10           HD2      TYR  10  -6.185   7.400  -3.728
   63    HE1  TYR  10           HE1      TYR  10  -8.700   3.840  -1.266
   64    HE2  TYR  10           HE2      TYR  10  -6.356   7.470  -1.225
   65    HH   TYR  10           HH       TYR  10  -7.232   6.477   0.607
   66    H    ILE  11           H        ILE  11  -5.909   2.886  -4.061
   67    HA   ILE  11           HA       ILE  11  -6.725   0.457  -5.161
   68    HB   ILE  11           HB       ILE  11  -5.364   0.705  -3.137
   69   1HG1  ILE  11          1HG1      ILE  11  -6.232  -1.164  -1.903
   70   2HG1  ILE  11          2HG1      ILE  11  -7.868  -0.884  -2.542
   71   1HG2  ILE  11          1HG2      ILE  11  -6.607   2.464  -1.948
   72   2HG2  ILE  11          2HG2      ILE  11  -7.964   1.340  -1.705
   73   3HG2  ILE  11          3HG2      ILE  11  -6.404   1.036  -0.915
   74   1HD1  ILE  11          1HD1      ILE  11  -5.450  -1.750  -4.165
   75   2HD1  ILE  11          2HD1      ILE  11  -6.789  -2.805  -3.668
   76   3HD1  ILE  11          3HD1      ILE  11  -7.089  -1.472  -4.803
   77    H    GLN  12           H        GLN  12  -8.513   0.856  -6.395
   78    HA   GLN  12           HA       GLN  12 -10.972   1.743  -5.608
   79   1HB   GLN  12          1HB       GLN  12 -11.856   0.631  -7.522
   80   2HB   GLN  12          2HB       GLN  12 -10.205   1.174  -7.907
   81   1HG   GLN  12          1HG       GLN  12  -9.528  -1.241  -7.179
   82   2HG   GLN  12          2HG       GLN  12 -11.245  -1.611  -7.455
   83   2HE2  GLN  12          2HE2      GLN  12  -8.209  -0.674  -8.886
   84   1HE2  GLN  12          1HE2      GLN  12  -8.662  -0.944 -10.556
   85    H    THR  13           H        THR  13  -9.414  -1.094  -4.579
   86    HA   THR  13           HA       THR  13 -11.638  -1.920  -2.943
   87    HB   THR  13           HB       THR  13 -10.825  -3.442  -5.325
   88    HG1  THR  13           HG1      THR  13 -13.150  -3.965  -4.936
   89   1HG2  THR  13          1HG2      THR  13 -11.577  -4.968  -2.812
   90   2HG2  THR  13          2HG2      THR  13 -11.525  -5.647  -4.448
   91   3HG2  THR  13          3HG2      THR  13 -10.030  -5.085  -3.683
   92    HA   PRO  14           HA       PRO  14  -7.911  -2.232  -0.501
   93   1HB   PRO  14          1HB       PRO  14  -9.321  -2.013   1.910
   94   2HB   PRO  14          2HB       PRO  14  -8.628  -0.666   0.948
   95   1HG   PRO  14          1HG       PRO  14 -11.449  -1.513   1.207
   96   2HG   PRO  14          2HG       PRO  14 -10.782   0.118   0.868
   97   1HD   PRO  14          1HD       PRO  14 -11.911  -1.648  -1.016
   98   2HD   PRO  14          2HD       PRO  14 -10.814  -0.288  -1.404
   99    H    LEU  15           H        LEU  15  -7.114  -4.257  -0.512
  100    HA   LEU  15           HA       LEU  15  -8.870  -6.418   0.432
  101   1HB   LEU  15          1HB       LEU  15  -7.153  -7.876  -0.735
  102   2HB   LEU  15          2HB       LEU  15  -8.204  -6.865  -1.753
  103    HG   LEU  15           HG       LEU  15  -5.678  -5.544  -1.060
  104   1HD1  LEU  15          1HD1      LEU  15  -4.931  -7.910  -1.100
  105   2HD1  LEU  15          2HD1      LEU  15  -5.712  -8.126  -2.685
  106   3HD1  LEU  15          3HD1      LEU  15  -4.326  -7.019  -2.518
  107   1HD2  LEU  15          1HD2      LEU  15  -7.033  -6.311  -3.691
  108   2HD2  LEU  15          2HD2      LEU  15  -7.254  -4.770  -2.826
  109   3HD2  LEU  15          3HD2      LEU  15  -5.667  -5.184  -3.520
  110    HA   PRO  16           HA       PRO  16  -6.564  -6.843   4.127
  111   1HB   PRO  16          1HB       PRO  16  -6.541  -9.544   4.654
  112   2HB   PRO  16          2HB       PRO  16  -7.996  -8.505   4.809
  113   1HG   PRO  16          1HG       PRO  16  -7.264 -10.376   2.589
  114   2HG   PRO  16          2HG       PRO  16  -8.875 -10.079   3.318
  115   1HD   PRO  16          1HD       PRO  16  -7.985  -8.979   0.917
  116   2HD   PRO  16          2HD       PRO  16  -9.217  -8.215   1.967
  117    H    SER  17           H        SER  17  -4.434  -7.233   4.930
  118    HA   SER  17           HA       SER  17  -2.335  -7.446   3.169
  119   1HB   SER  17          1HB       SER  17  -0.896  -7.831   5.118
  120   2HB   SER  17          2HB       SER  17  -2.096  -6.554   5.430
  121    HG   SER  17           HG       SER  17  -1.822  -8.254   7.144
  122    H    ARG  18           H        ARG  18  -4.250 -10.040   4.360
  123    HA   ARG  18           HA       ARG  18  -2.575 -12.271   4.053
  124   1HB   ARG  18          1HB       ARG  18  -5.541 -11.792   3.716
  125   2HB   ARG  18          2HB       ARG  18  -4.814 -13.401   3.488
  126   1HG   ARG  18          1HG       ARG  18  -3.957 -13.414   5.749
  127   2HG   ARG  18          2HG       ARG  18  -4.406 -11.709   5.987
  128   1HD   ARG  18          1HD       ARG  18  -6.781 -12.999   5.170
  129   2HD   ARG  18          2HD       ARG  18  -6.023 -14.104   6.338
  130    HE   ARG  18           HE       ARG  18  -5.727 -11.585   7.439
  131   1HH1  ARG  18          1HH1      ARG  18  -7.143 -10.671   8.972
  132   2HH1  ARG  18          2HH1      ARG  18  -8.808 -11.195   9.047
  133   1HH2  ARG  18          1HH2      ARG  18  -8.514 -13.501   6.441
  134   2HH2  ARG  18          2HH2      ARG  18  -9.581 -12.787   7.625
  135    H    ALA  19           H        ALA  19  -3.822 -10.092   1.626
  136    HA   ALA  19           HA       ALA  19  -3.069 -11.992  -0.523
  137   1HB   ALA  19          1HB       ALA  19  -5.421 -11.238  -0.540
  138   2HB   ALA  19          2HB       ALA  19  -4.884  -9.540  -0.535
  139   3HB   ALA  19          3HB       ALA  19  -4.527 -10.584  -1.935
  140    H    ILE  20           H        ILE  20  -1.596  -9.679   1.310
  141    HA   ILE  20           HA       ILE  20  -0.232  -8.338  -0.942
  142    HB   ILE  20           HB       ILE  20  -0.725  -7.654   1.956
  143   1HG1  ILE  20          1HG1      ILE  20  -1.339  -5.443   0.887
  144   2HG1  ILE  20          2HG1      ILE  20  -1.237  -6.281  -0.680
  145   1HG2  ILE  20          1HG2      ILE  20   1.677  -7.263   1.533
  146   2HG2  ILE  20          2HG2      ILE  20   1.270  -6.292   0.099
  147   3HG2  ILE  20          3HG2      ILE  20   0.813  -5.722   1.719
  148   1HD1  ILE  20          1HD1      ILE  20  -3.170  -6.917   1.557
  149   2HD1  ILE  20          2HD1      ILE  20  -3.577  -6.058   0.062
  150   3HD1  ILE  20          3HD1      ILE  20  -3.070  -7.754  -0.011
  151    H    VAL  21           H        VAL  21   1.429  -9.394  -1.543
  152    HA   VAL  21           HA       VAL  21   2.958 -11.010   0.342
  153    HB   VAL  21           HB       VAL  21   4.175 -11.803  -1.645
  154   1HG1  VAL  21          1HG1      VAL  21   2.313 -13.038  -0.622
  155   2HG1  VAL  21          2HG1      VAL  21   1.156 -12.173  -1.661
  156   3HG1  VAL  21          3HG1      VAL  21   2.335 -13.291  -2.380
  157   1HG2  VAL  21          1HG2      VAL  21   3.799 -10.000  -3.245
  158   2HG2  VAL  21          2HG2      VAL  21   3.219 -11.541  -3.903
  159   3HG2  VAL  21          3HG2      VAL  21   2.057 -10.366  -3.260
  160    H    GLY  22           H        GLY  22   3.388  -8.161  -1.757
  161   1HA   GLY  22          1HA       GLY  22   5.931  -7.540  -1.968
  162   2HA   GLY  22          2HA       GLY  22   5.753  -7.365  -0.208
  163    H    PHE  23           H        PHE  23   5.830  -5.121  -0.002
  164    HA   PHE  23           HA       PHE  23   4.422  -3.432  -1.855
  165   1HB   PHE  23          1HB       PHE  23   2.961  -2.434  -0.205
  166   2HB   PHE  23          2HB       PHE  23   2.636  -4.171  -0.325
  167    HD1  PHE  23           HD1      PHE  23   3.793  -5.724   1.393
  168    HD2  PHE  23           HD2      PHE  23   3.362  -1.437   1.825
  169    HE1  PHE  23           HE1      PHE  23   4.121  -5.967   3.865
  170    HE2  PHE  23           HE2      PHE  23   3.583  -1.699   4.318
  171    HZ   PHE  23           HZ       PHE  23   4.004  -3.948   5.276
  172    H    THR  24           H        THR  24   4.525  -1.101  -1.098
  173    HA   THR  24           HA       THR  24   6.962  -0.481   0.458
  174    HB   THR  24           HB       THR  24   6.627   0.819  -2.223
  175    HG1  THR  24           HG1      THR  24   8.070  -1.051  -3.020
  176   1HG2  THR  24          1HG2      THR  24   8.415   1.505  -0.647
  177   2HG2  THR  24          2HG2      THR  24   9.031  -0.165  -0.618
  178   3HG2  THR  24          3HG2      THR  24   9.110   0.788  -2.119
  179    H    ARG  25           H        ARG  25   7.218   1.925   0.669
  180    HA   ARG  25           HA       ARG  25   4.610   3.073   1.410
  181   1HB   ARG  25          1HB       ARG  25   7.424   4.090   1.949
  182   2HB   ARG  25          2HB       ARG  25   5.913   4.743   2.625
  183   1HG   ARG  25          1HG       ARG  25   5.536   2.341   3.536
  184   2HG   ARG  25          2HG       ARG  25   7.271   2.106   3.208
  185   1HD   ARG  25          1HD       ARG  25   7.494   2.937   5.328
  186   2HD   ARG  25          2HD       ARG  25   7.350   4.500   4.498
  187    HE   ARG  25           HE       ARG  25   4.769   3.431   5.086
  188   1HH1  ARG  25          1HH1      ARG  25   3.518   4.396   6.763
  189   2HH1  ARG  25          2HH1      ARG  25   4.323   5.223   8.074
  190   1HH2  ARG  25          1HH2      ARG  25   7.532   4.767   6.794
  191   2HH2  ARG  25          2HH2      ARG  25   6.573   5.432   8.094
  192    H    GLN  26           H        GLN  26   3.845   5.052   0.638
  193    HA   GLN  26           HA       GLN  26   5.497   6.403  -1.420
  194   1HB   GLN  26          1HB       GLN  26   3.597   4.827  -2.285
  195   2HB   GLN  26          2HB       GLN  26   2.509   6.103  -1.686
  196   1HG   GLN  26          1HG       GLN  26   3.766   7.744  -3.122
  197   2HG   GLN  26          2HG       GLN  26   4.664   6.372  -3.810
  198   2HE2  GLN  26          2HE2      GLN  26   1.303   7.235  -2.958
  199   1HE2  GLN  26          1HE2      GLN  26   0.569   6.686  -4.447
  200    H    MET  27           H        MET  27   5.919   8.245  -0.610
  201    HA   MET  27           HA       MET  27   4.097   9.609   1.235
  202   1HB   MET  27          1HB       MET  27   6.719  10.738   0.269
  203   2HB   MET  27          2HB       MET  27   5.894  10.970   1.830
  204   1HG   MET  27          1HG       MET  27   7.585   9.589   2.531
  205   2HG   MET  27          2HG       MET  27   6.418   8.344   2.050
  206   1HE   MET  27          1HE       MET  27   7.891   6.353   1.380
  207   2HE   MET  27          2HE       MET  27   9.485   6.495   0.604
  208   3HE   MET  27          3HE       MET  27   9.207   7.226   2.202
  209    H    ALA  28           H        ALA  28   3.610  11.904   0.918
  210    HA   ALA  28           HA       ALA  28   2.791  12.516  -1.811
  211   1HB   ALA  28          1HB       ALA  28   1.609  14.361  -0.674
  212   2HB   ALA  28          2HB       ALA  28   1.256  12.798   0.105
  213   3HB   ALA  28          3HB       ALA  28   2.406  13.928   0.861
  214    H    ASP  29           H        ASP  29   4.468  13.233  -3.045
  215    HA   ASP  29           HA       ASP  29   5.545  15.707  -2.877
  216   1HB   ASP  29          1HB       ASP  29   7.090  13.922  -1.160
  217   2HB   ASP  29          2HB       ASP  29   8.072  14.612  -2.472
  218    HD2  ASP  29           HD2      ASP  29   8.332  16.963   0.134
  219    H    GLU  30           H        GLU  30   6.849  12.422  -3.463
  220    HA   GLU  30           HA       GLU  30   8.353  13.040  -5.765
  221   1HB   GLU  30          1HB       GLU  30   8.273  11.047  -4.025
  222   2HB   GLU  30          2HB       GLU  30   7.217  10.312  -5.256
  223   1HG   GLU  30          1HG       GLU  30   8.939   9.997  -6.714
  224   2HG   GLU  30          2HG       GLU  30   9.654  11.585  -6.359
  225    H    ALA  31           H        ALA  31   7.222  10.746  -7.465
  226    HA   ALA  31           HA       ALA  31   5.652  12.122  -9.297
  227   1HB   ALA  31          1HB       ALA  31   5.118   9.882 -10.185
  228   2HB   ALA  31          2HB       ALA  31   6.837  10.011  -9.742
  229   3HB   ALA  31          3HB       ALA  31   5.706   9.144  -8.675
  230    H    CYS  32           H        CYS  32   4.723  10.893  -6.208
  231    HA   CYS  32           HA       CYS  32   1.865  11.193  -6.805
  232   1HB   CYS  32          1HB       CYS  32   3.405   9.433  -4.980
  233   2HB   CYS  32          2HB       CYS  32   1.911  10.148  -4.322
  234    H    ASP  33           H        ASP  33   0.702  12.650  -5.828
  235    HA   ASP  33           HA       ASP  33   2.094  14.644  -4.145
  236   1HB   ASP  33          1HB       ASP  33   0.851  15.352  -6.194
  237   2HB   ASP  33          2HB       ASP  33  -0.644  14.728  -5.459
  238    HD2  ASP  33           HD2      ASP  33   0.852  18.153  -4.162
  239    H    ILE  34           H        ILE  34   0.280  11.833  -3.720
  240    HA   ILE  34           HA       ILE  34  -0.742  12.732  -1.118
  241    HB   ILE  34           HB       ILE  34  -2.727  11.343  -1.385
  242   1HG1  ILE  34          1HG1      ILE  34  -1.725  10.911  -4.194
  243   2HG1  ILE  34          2HG1      ILE  34  -1.912   9.696  -2.906
  244   1HG2  ILE  34          1HG2      ILE  34  -2.819  13.747  -1.831
  245   2HG2  ILE  34          2HG2      ILE  34  -2.416  13.462  -3.541
  246   3HG2  ILE  34          3HG2      ILE  34  -3.955  12.863  -2.877
  247   1HD1  ILE  34          1HD1      ILE  34  -4.173  11.148  -4.324
  248   2HD1  ILE  34          2HD1      ILE  34  -3.696   9.465  -4.613
  249   3HD1  ILE  34          3HD1      ILE  34  -4.359   9.931  -3.037
  250    H    ASN  35           H        ASN  35  -0.798  11.057   0.436
  251    HA   ASN  35           HA       ASN  35   1.428   9.212   0.188
  252   1HB   ASN  35          1HB       ASN  35  -0.660   9.610   2.357
  253   2HB   ASN  35          2HB       ASN  35   0.850   8.685   2.507
  254   2HD2  ASN  35          2HD2      ASN  35   2.593   9.693   3.278
  255   1HD2  ASN  35          1HD2      ASN  35   2.766  11.427   3.457
  256    H    ALA  36           H        ALA  36   1.286   7.044  -0.236
  257    HA   ALA  36           HA       ALA  36  -1.198   5.647   0.036
  258   1HB   ALA  36          1HB       ALA  36  -1.577   6.565  -2.202
  259   2HB   ALA  36          2HB       ALA  36  -1.366   4.802  -2.270
  260   3HB   ALA  36          3HB       ALA  36  -0.033   5.874  -2.757
  261    H    ILE  37           H        ILE  37  -0.937   3.311  -0.205
  262    HA   ILE  37           HA       ILE  37   1.865   2.517   0.226
  263    HB   ILE  37           HB       ILE  37  -0.698   1.148   1.024
  264   1HG1  ILE  37          1HG1      ILE  37  -0.688   3.222   2.126
  265   2HG1  ILE  37          2HG1      ILE  37  -0.199   1.979   3.302
  266   1HG2  ILE  37          1HG2      ILE  37   1.181  -0.387   0.828
  267   2HG2  ILE  37          2HG2      ILE  37   2.152   0.637   1.912
  268   3HG2  ILE  37          3HG2      ILE  37   0.705  -0.191   2.530
  269   1HD1  ILE  37          1HD1      ILE  37   1.658   3.955   1.930
  270   2HD1  ILE  37          2HD1      ILE  37   1.112   4.063   3.613
  271   3HD1  ILE  37          3HD1      ILE  37   2.145   2.713   3.107
  272    H    ILE  38           H        ILE  38   2.766   1.750  -1.415
  273    HA   ILE  38           HA       ILE  38   1.377   0.679  -3.720
  274    HB   ILE  38           HB       ILE  38   4.110   1.475  -2.933
  275   1HG1  ILE  38          1HG1      ILE  38   3.398   1.816  -5.709
  276   2HG1  ILE  38          2HG1      ILE  38   1.982   2.205  -4.701
  277   1HG2  ILE  38          1HG2      ILE  38   3.758  -0.412  -5.278
  278   2HG2  ILE  38          2HG2      ILE  38   5.225   0.516  -4.921
  279   3HG2  ILE  38          3HG2      ILE  38   4.691  -0.748  -3.800
  280   1HD1  ILE  38          1HD1      ILE  38   4.831   3.205  -4.232
  281   2HD1  ILE  38          2HD1      ILE  38   3.486   4.157  -4.917
  282   3HD1  ILE  38          3HD1      ILE  38   3.416   3.594  -3.226
  283    H    PHE  39           H        PHE  39   0.236  -1.069  -3.113
  284    HA   PHE  39           HA       PHE  39   1.594  -3.339  -1.825
  285   1HB   PHE  39          1HB       PHE  39  -1.281  -2.858  -2.649
  286   2HB   PHE  39          2HB       PHE  39  -0.698  -4.408  -2.019
  287    HD1  PHE  39           HD1      PHE  39   0.829  -4.173   0.126
  288    HD2  PHE  39           HD2      PHE  39  -2.191  -1.312  -1.012
  289    HE1  PHE  39           HE1      PHE  39   0.382  -3.726   2.523
  290    HE2  PHE  39           HE2      PHE  39  -2.607  -0.829   1.408
  291    HZ   PHE  39           HZ       PHE  39  -1.376  -2.080   3.152
  292    H    HIS  40           H        HIS  40   1.964  -5.352  -2.755
  293    HA   HIS  40           HA       HIS  40   1.422  -5.620  -5.677
  294   1HB   HIS  40          1HB       HIS  40   3.875  -6.648  -4.217
  295   2HB   HIS  40          2HB       HIS  40   3.585  -6.592  -5.965
  296    HD1  HIS  40           HD1      HIS  40   3.171  -3.820  -6.718
  297    HD2  HIS  40           HD2      HIS  40   5.375  -4.749  -3.367
  298    HE1  HIS  40           HE1      HIS  40   4.890  -1.944  -6.434
  299    HE2  HIS  40           HE2      HIS  40   5.902  -2.375  -4.134
  300    H    THR  41           H        THR  41  -0.397  -6.774  -5.129
  301    HA   THR  41           HA       THR  41  -0.418  -8.953  -3.295
  302    HB   THR  41           HB       THR  41  -2.611  -9.271  -3.906
  303    HG1  THR  41           HG1      THR  41  -3.193  -8.166  -6.170
  304   1HG2  THR  41          1HG2      THR  41  -2.393  -6.996  -3.032
  305   2HG2  THR  41          2HG2      THR  41  -2.145  -6.377  -4.682
  306   3HG2  THR  41          3HG2      THR  41  -3.707  -7.084  -4.222
  307    H    LYS  42           H        LYS  42  -1.525 -11.115  -4.572
  308    HA   LYS  42           HA       LYS  42   0.715 -12.054  -6.242
  309   1HB   LYS  42          1HB       LYS  42  -0.016 -13.271  -4.149
  310   2HB   LYS  42          2HB       LYS  42  -1.503 -13.709  -5.023
  311   1HG   LYS  42          1HG       LYS  42   0.903 -14.293  -6.586
  312   2HG   LYS  42          2HG       LYS  42   0.900 -15.133  -5.017
  313   1HD   LYS  42          1HD       LYS  42  -1.249 -16.130  -5.477
  314   2HD   LYS  42          2HD       LYS  42  -1.446 -15.145  -6.947
  315   1HE   LYS  42          1HE       LYS  42   0.535 -16.290  -7.937
  316   2HE   LYS  42          2HE       LYS  42   0.634 -17.320  -6.492
  317   1HZ   LYS  42          1HZ       LYS  42  -1.686 -17.102  -8.253
  318   2HZ   LYS  42          2HZ       LYS  42  -0.611 -18.324  -8.268
  319   3HZ   LYS  42          3HZ       LYS  42  -1.559 -18.099  -6.962
  320    H    LYS  43           H        LYS  43  -2.460 -10.847  -6.609
  321    HA   LYS  43           HA       LYS  43  -2.492 -11.663  -9.410
  322   1HB   LYS  43          1HB       LYS  43  -3.801 -13.313  -7.832
  323   2HB   LYS  43          2HB       LYS  43  -5.046 -12.040  -7.858
  324   1HG   LYS  43          1HG       LYS  43  -5.337 -12.200 -10.185
  325   2HG   LYS  43          2HG       LYS  43  -3.774 -13.020 -10.417
  326   1HD   LYS  43          1HD       LYS  43  -4.683 -15.001  -9.190
  327   2HD   LYS  43          2HD       LYS  43  -6.262 -14.182  -9.104
  328   1HE   LYS  43          1HE       LYS  43  -6.369 -15.691 -10.954
  329   2HE   LYS  43          2HE       LYS  43  -6.215 -14.056 -11.635
  330   1HZ   LYS  43          1HZ       LYS  43  -3.866 -14.492 -11.921
  331   2HZ   LYS  43          2HZ       LYS  43  -4.060 -16.013 -11.335
  332   3HZ   LYS  43          3HZ       LYS  43  -4.794 -15.571 -12.726
  333    H    ARG  44           H        ARG  44  -1.852  -9.184  -8.262
  334    HA   ARG  44           HA       ARG  44  -3.570  -7.435  -9.784
  335   1HB   ARG  44          1HB       ARG  44  -4.536  -7.881  -7.277
  336   2HB   ARG  44          2HB       ARG  44  -3.336  -6.615  -6.923
  337   1HG   ARG  44          1HG       ARG  44  -4.435  -5.126  -8.551
  338   2HG   ARG  44          2HG       ARG  44  -5.644  -6.390  -8.884
  339   1HD   ARG  44          1HD       ARG  44  -5.635  -6.225  -6.099
  340   2HD   ARG  44          2HD       ARG  44  -5.444  -4.533  -6.606
  341    HE   ARG  44           HE       ARG  44  -7.567  -4.549  -7.499
  342   1HH1  ARG  44          1HH1      ARG  44  -9.651  -5.362  -7.880
  343   2HH1  ARG  44          2HH1      ARG  44  -9.972  -7.070  -7.698
  344   1HH2  ARG  44          1HH2      ARG  44  -6.718  -7.906  -6.773
  345   2HH2  ARG  44          2HH2      ARG  44  -8.332  -8.496  -7.079
  346    H    LYS  45           H        LYS  45  -2.301  -5.939 -10.510
  347    HA   LYS  45           HA       LYS  45   0.481  -5.731  -9.982
  348   1HB   LYS  45          1HB       LYS  45  -1.468  -4.809 -11.830
  349   2HB   LYS  45          2HB       LYS  45  -0.670  -3.360 -11.172
  350   1HG   LYS  45          1HG       LYS  45   1.524  -4.243 -11.728
  351   2HG   LYS  45          2HG       LYS  45   0.823  -5.809 -12.203
  352   1HD   LYS  45          1HD       LYS  45  -0.061  -4.951 -14.203
  353   2HD   LYS  45          2HD       LYS  45  -0.032  -3.272 -13.613
  354   1HE   LYS  45          1HE       LYS  45   2.240  -3.026 -14.006
  355   2HE   LYS  45          2HE       LYS  45   2.575  -4.756 -13.778
  356   1HZ   LYS  45          1HZ       LYS  45   1.160  -3.628 -16.088
  357   2HZ   LYS  45          2HZ       LYS  45   2.743  -4.046 -16.058
  358   3HZ   LYS  45          3HZ       LYS  45   1.610  -5.193 -15.867
  359    H    SER  46           H        SER  46   1.288  -3.201  -9.627
  360    HA   SER  46           HA       SER  46   1.259  -2.750  -6.932
  361   1HB   SER  46          1HB       SER  46   1.530  -0.208  -8.087
  362   2HB   SER  46          2HB       SER  46   2.826  -1.336  -7.625
  363    HG   SER  46           HG       SER  46   2.936  -0.642  -9.872
  364    H    VAL  47           H        VAL  47  -0.084  -2.076  -5.528
  365    HA   VAL  47           HA       VAL  47  -2.589  -0.710  -6.376
  366    HB   VAL  47           HB       VAL  47  -1.847  -2.848  -4.511
  367   1HG1  VAL  47          1HG1      VAL  47  -2.470  -1.249  -2.806
  368   2HG1  VAL  47          2HG1      VAL  47  -4.023  -0.957  -3.625
  369   3HG1  VAL  47          3HG1      VAL  47  -3.678  -2.542  -2.910
  370   1HG2  VAL  47          1HG2      VAL  47  -3.115  -3.218  -6.553
  371   2HG2  VAL  47          2HG2      VAL  47  -4.074  -3.679  -5.129
  372   3HG2  VAL  47          3HG2      VAL  47  -4.409  -2.146  -5.963
  373    H    CYS  48           H        CYS  48  -2.955   1.334  -5.664
  374    HA   CYS  48           HA       CYS  48  -1.064   2.330  -3.613
  375   1HB   CYS  48          1HB       CYS  48  -1.947   4.622  -4.473
  376   2HB   CYS  48          2HB       CYS  48  -0.714   3.733  -5.400
  377    H    ALA  49           H        ALA  49  -1.893   2.052  -1.729
  378    HA   ALA  49           HA       ALA  49  -4.705   2.904  -1.309
  379   1HB   ALA  49          1HB       ALA  49  -4.092   0.529  -1.043
  380   2HB   ALA  49          2HB       ALA  49  -4.559   1.258   0.517
  381   3HB   ALA  49          3HB       ALA  49  -2.838   0.978   0.137
  382    H    ASP  50           H        ASP  50  -5.081   4.779  -0.205
  383    HA   ASP  50           HA       ASP  50  -2.979   6.324   0.886
  384   1HB   ASP  50          1HB       ASP  50  -5.636   6.714   0.359
  385   2HB   ASP  50          2HB       ASP  50  -5.633   6.661   2.136
  386    HD2  ASP  50           HD2      ASP  50  -4.601   9.886   2.260
  387    HA   PRO  51           HA       PRO  51  -2.310   4.173   4.704
  388   1HB   PRO  51          1HB       PRO  51  -0.478   5.829   5.873
  389   2HB   PRO  51          2HB       PRO  51  -0.130   4.740   4.491
  390   1HG   PRO  51          1HG       PRO  51  -0.694   7.685   4.453
  391   2HG   PRO  51          2HG       PRO  51   0.501   6.764   3.481
  392   1HD   PRO  51          1HD       PRO  51  -1.994   7.601   2.592
  393   2HD   PRO  51          2HD       PRO  51  -1.104   6.197   1.927
  394    H    LYS  52           H        LYS  52  -4.726   5.219   4.671
  395    HA   LYS  52           HA       LYS  52  -5.012   6.554   7.308
  396   1HB   LYS  52          1HB       LYS  52  -6.665   7.156   4.829
  397   2HB   LYS  52          2HB       LYS  52  -6.744   7.977   6.407
  398   1HG   LYS  52          1HG       LYS  52  -4.507   8.118   4.365
  399   2HG   LYS  52          2HG       LYS  52  -5.639   9.413   4.826
  400   1HD   LYS  52          1HD       LYS  52  -4.422   8.641   7.227
  401   2HD   LYS  52          2HD       LYS  52  -3.108   8.639   6.026
  402   1HE   LYS  52          1HE       LYS  52  -4.998  10.963   6.002
  403   2HE   LYS  52          2HE       LYS  52  -3.844  10.861   7.349
  404   1HZ   LYS  52          1HZ       LYS  52  -3.139  10.807   4.504
  405   2HZ   LYS  52          2HZ       LYS  52  -2.992  12.071   5.518
  406   3HZ   LYS  52          3HZ       LYS  52  -2.086  10.737   5.768
  407    H    GLN  53           H        GLN  53  -5.175   3.726   6.446
  408    HA   GLN  53           HA       GLN  53  -8.031   3.158   7.067
  409   1HB   GLN  53          1HB       GLN  53  -6.238   1.527   5.248
  410   2HB   GLN  53          2HB       GLN  53  -7.997   1.386   5.474
  411   1HG   GLN  53          1HG       GLN  53  -7.411   4.029   4.558
  412   2HG   GLN  53          2HG       GLN  53  -6.554   2.874   3.517
  413   2HE2  GLN  53          2HE2      GLN  53  -7.797   3.362   1.753
  414   1HE2  GLN  53          1HE2      GLN  53  -9.454   2.823   1.588
  415    H    ASN  54           H        ASN  54  -8.252   0.982   8.034
  416    HA   ASN  54           HA       ASN  54  -6.251   0.447  10.013
  417   1HB   ASN  54          1HB       ASN  54  -7.820  -1.397  10.661
  418   2HB   ASN  54          2HB       ASN  54  -8.521   0.237  10.679
  419   2HD2  ASN  54          2HD2      ASN  54 -10.400  -1.425  10.724
  420   1HD2  ASN  54          1HD2      ASN  54 -11.167  -1.688   9.173
  421    H    TRP  55           H        TRP  55  -7.398  -1.197   7.084
  422    HA   TRP  55           HA       TRP  55  -5.788  -3.512   7.336
  423   1HB   TRP  55          1HB       TRP  55  -6.557  -4.044   5.160
  424   2HB   TRP  55          2HB       TRP  55  -7.886  -3.179   5.944
  425    HD1  TRP  55           HD1      TRP  55  -8.461  -0.714   4.980
  426    HE1  TRP  55           HE1      TRP  55  -7.866   0.497   2.842
  427    HE3  TRP  55           HE3      TRP  55  -4.933  -3.928   3.327
  428    HZ2  TRP  55           HZ2      TRP  55  -6.307  -0.045   0.511
  429    HZ3  TRP  55           HZ3      TRP  55  -4.196  -3.770   0.952
  430    HH2  TRP  55           HH2      TRP  55  -4.883  -1.843  -0.442
  431    H    VAL  56           H        VAL  56  -5.378  -0.519   5.423
  432    HA   VAL  56           HA       VAL  56  -2.844  -1.016   4.358
  433    HB   VAL  56           HB       VAL  56  -4.546   1.365   4.873
  434   1HG1  VAL  56          1HG1      VAL  56  -1.650   1.584   3.973
  435   2HG1  VAL  56          2HG1      VAL  56  -2.839   2.900   3.932
  436   3HG1  VAL  56          3HG1      VAL  56  -2.312   2.237   5.491
  437   1HG2  VAL  56          1HG2      VAL  56  -4.651  -0.031   2.820
  438   2HG2  VAL  56          2HG2      VAL  56  -4.114   1.622   2.441
  439   3HG2  VAL  56          3HG2      VAL  56  -2.927   0.298   2.521
  440    H    LYS  57           H        LYS  57  -3.622   1.062   7.222
  441    HA   LYS  57           HA       LYS  57  -1.045   1.463   8.078
  442   1HB   LYS  57          1HB       LYS  57  -1.874   2.219  10.090
  443   2HB   LYS  57          2HB       LYS  57  -3.236   2.460   8.969
  444   1HG   LYS  57          1HG       LYS  57  -4.255   0.376   9.774
  445   2HG   LYS  57          2HG       LYS  57  -2.901   0.161  10.910
  446   1HD   LYS  57          1HD       LYS  57  -3.581   2.322  12.006
  447   2HD   LYS  57          2HD       LYS  57  -5.021   2.334  10.962
  448   1HE   LYS  57          1HE       LYS  57  -5.667   0.091  11.809
  449   2HE   LYS  57          2HE       LYS  57  -4.213   0.050  12.831
  450   1HZ   LYS  57          1HZ       LYS  57  -5.012   2.058  13.863
  451   2HZ   LYS  57          2HZ       LYS  57  -6.395   1.989  12.983
  452   3HZ   LYS  57          3HZ       LYS  57  -6.051   0.820  14.075
  453    H    ARG  58           H        ARG  58  -3.110  -1.440   8.660
  454    HA   ARG  58           HA       ARG  58  -1.386  -2.755  10.429
  455   1HB   ARG  58          1HB       ARG  58  -3.676  -3.443   8.737
  456   2HB   ARG  58          2HB       ARG  58  -2.522  -4.781   8.949
  457   1HG   ARG  58          1HG       ARG  58  -2.649  -3.900  11.508
  458   2HG   ARG  58          2HG       ARG  58  -4.278  -3.441  10.957
  459   1HD   ARG  58          1HD       ARG  58  -4.617  -5.724  10.056
  460   2HD   ARG  58          2HD       ARG  58  -2.986  -6.182  10.594
  461    HE   ARG  58           HE       ARG  58  -4.460  -5.086  12.761
  462   1HH1  ARG  58          1HH1      ARG  58  -5.343  -6.424  14.382
  463   2HH1  ARG  58          2HH1      ARG  58  -5.524  -8.139  14.101
  464   1HH2  ARG  58          1HH2      ARG  58  -4.236  -8.051  10.856
  465   2HH2  ARG  58          2HH2      ARG  58  -4.902  -9.055  12.119
  466    H    ALA  59           H        ALA  59  -1.615  -3.040   6.826
  467    HA   ALA  59           HA       ALA  59   0.554  -4.888   6.609
  468   1HB   ALA  59          1HB       ALA  59  -0.652  -2.921   4.632
  469   2HB   ALA  59          2HB       ALA  59   0.399  -4.301   4.228
  470   3HB   ALA  59          3HB       ALA  59  -1.213  -4.582   4.933
  471    H    VAL  60           H        VAL  60   0.352  -1.309   6.317
  472    HA   VAL  60           HA       VAL  60   3.089  -0.799   5.847
  473    HB   VAL  60           HB       VAL  60   0.997   0.905   7.236
  474   1HG1  VAL  60          1HG1      VAL  60   3.587   1.774   5.880
  475   2HG1  VAL  60          2HG1      VAL  60   2.348   2.871   6.520
  476   3HG1  VAL  60          3HG1      VAL  60   3.263   1.832   7.630
  477   1HG2  VAL  60          1HG2      VAL  60   0.412   0.143   4.958
  478   2HG2  VAL  60          2HG2      VAL  60   0.745   1.892   4.981
  479   3HG2  VAL  60          3HG2      VAL  60   1.969   0.762   4.355
  480    H    ASN  61           H        ASN  61   1.230  -1.184   8.933
  481    HA   ASN  61           HA       ASN  61   3.107  -0.434  10.742
  482   1HB   ASN  61          1HB       ASN  61   0.778  -1.146  11.213
  483   2HB   ASN  61          2HB       ASN  61   1.259  -2.836  10.948
  484   2HD2  ASN  61          2HD2      ASN  61   0.220  -2.801  13.166
  485   1HD2  ASN  61          1HD2      ASN  61   1.319  -2.647  14.520
  486    H    LEU  62           H        LEU  62   2.660  -3.865   9.680
  487    HA   LEU  62           HA       LEU  62   4.966  -4.898  10.808
  488   1HB   LEU  62          1HB       LEU  62   3.379  -5.673   8.378
  489   2HB   LEU  62          2HB       LEU  62   4.910  -6.507   8.738
  490    HG   LEU  62           HG       LEU  62   3.789  -6.546  11.206
  491   1HD1  LEU  62          1HD1      LEU  62   1.452  -6.736   9.264
  492   2HD1  LEU  62          2HD1      LEU  62   1.391  -7.115  11.000
  493   3HD1  LEU  62          3HD1      LEU  62   1.706  -5.448  10.466
  494   1HD2  LEU  62          1HD2      LEU  62   4.681  -8.467   9.914
  495   2HD2  LEU  62          2HD2      LEU  62   3.121  -8.874  10.670
  496   3HD2  LEU  62          3HD2      LEU  62   3.198  -8.497   8.932
  497    H    LEU  63           H        LEU  63   4.657  -3.185   7.688
  498    HA   LEU  63           HA       LEU  63   7.404  -3.397   6.920
  499   1HB   LEU  63          1HB       LEU  63   6.093  -2.889   5.171
  500   2HB   LEU  63          2HB       LEU  63   4.961  -1.929   6.152
  501    HG   LEU  63           HG       LEU  63   7.628  -0.772   5.627
  502   1HD1  LEU  63          1HD1      LEU  63   7.102  -1.692   3.437
  503   2HD1  LEU  63          2HD1      LEU  63   5.509  -0.899   3.475
  504   3HD1  LEU  63          3HD1      LEU  63   6.990   0.081   3.418
  505   1HD2  LEU  63          1HD2      LEU  63   5.980   0.387   6.994
  506   2HD2  LEU  63          2HD2      LEU  63   6.325   1.302   5.510
  507   3HD2  LEU  63          3HD2      LEU  63   4.822   0.360   5.642
  508    H    SER  64           H        SER  64   5.628  -0.917   8.898
  509    HA   SER  64           HA       SER  64   7.662   0.964   9.102
  510   1HB   SER  64          1HB       SER  64   5.286   1.107   9.940
  511   2HB   SER  64          2HB       SER  64   5.776   0.106  11.329
  512    HG   SER  64           HG       SER  64   5.854   2.329  11.846
  513    H    LEU  65           H        LEU  65   7.458  -2.219  10.529
  514    HA   LEU  65           HA       LEU  65   9.767  -1.836  12.275
  515   1HB   LEU  65          1HB       LEU  65   8.086  -4.267  11.590
  516   2HB   LEU  65          2HB       LEU  65   9.394  -4.228  12.795
  517    HG   LEU  65           HG       LEU  65   7.055  -2.320  12.919
  518   1HD1  LEU  65          1HD1      LEU  65   6.128  -4.580  12.850
  519   2HD1  LEU  65          2HD1      LEU  65   7.206  -5.073  14.179
  520   3HD1  LEU  65          3HD1      LEU  65   5.933  -3.863  14.467
  521   1HD2  LEU  65          1HD2      LEU  65   9.013  -1.760  14.288
  522   2HD2  LEU  65          2HD2      LEU  65   7.627  -2.198  15.315
  523   3HD2  LEU  65          3HD2      LEU  65   8.943  -3.365  15.057
  524    H    ARG  66           H        ARG  66   9.065  -3.093   9.047
  525    HA   ARG  66           HA       ARG  66  11.930  -3.446   8.497
  526   1HB   ARG  66          1HB       ARG  66  11.508  -5.640   7.460
  527   2HB   ARG  66          2HB       ARG  66  11.140  -5.637   9.202
  528   1HG   ARG  66          1HG       ARG  66   8.714  -4.968   8.194
  529   2HG   ARG  66          2HG       ARG  66   9.345  -5.963   6.860
  530   1HD   ARG  66          1HD       ARG  66   9.704  -7.833   8.433
  531   2HD   ARG  66          2HD       ARG  66   9.056  -6.839   9.756
  532    HE   ARG  66           HE       ARG  66   6.937  -7.142   8.937
  533   1HH1  ARG  66          1HH1      ARG  66   5.314  -8.006   7.597
  534   2HH1  ARG  66          2HH1      ARG  66   5.712  -8.579   5.994
  535   1HH2  ARG  66          1HH2      ARG  66   9.123  -7.928   6.264
  536   2HH2  ARG  66          2HH2      ARG  66   7.841  -8.537   5.247
  537    H    VAL  67           H        VAL  67  10.952  -1.206   7.587
  538    HA   VAL  67           HA       VAL  67   9.696  -1.495   5.038
  539    HB   VAL  67           HB       VAL  67   9.187   0.320   6.569
  540   1HG1  VAL  67          1HG1      VAL  67  11.382   0.829   7.495
  541   2HG1  VAL  67          2HG1      VAL  67  11.909   1.472   5.920
  542   3HG1  VAL  67          3HG1      VAL  67  10.631   2.295   6.836
  543   1HG2  VAL  67          1HG2      VAL  67   8.681   0.563   4.190
  544   2HG2  VAL  67          2HG2      VAL  67   9.070   2.139   4.909
  545   3HG2  VAL  67          3HG2      VAL  67  10.278   1.299   3.915
  546    H    LYS  68           H        LYS  68  12.292  -2.751   5.401
  547    HA   LYS  68           HA       LYS  68  13.616  -1.916   2.987
  548   1HB   LYS  68          1HB       LYS  68  14.309  -0.467   5.256
  549   2HB   LYS  68          2HB       LYS  68  15.530  -1.763   5.219
  550   1HG   LYS  68          1HG       LYS  68  16.049  -1.257   2.876
  551   2HG   LYS  68          2HG       LYS  68  14.760  -0.029   2.830
  552   1HD   LYS  68          1HD       LYS  68  15.946   1.412   4.323
  553   2HD   LYS  68          2HD       LYS  68  17.099   0.128   4.762
  554   1HE   LYS  68          1HE       LYS  68  18.106   0.152   2.580
  555   2HE   LYS  68          2HE       LYS  68  16.783   1.125   1.900
  556   1HZ   LYS  68          1HZ       LYS  68  18.645   2.034   3.980
  557   2HZ   LYS  68          2HZ       LYS  68  18.741   2.407   2.397
  558   3HZ   LYS  68          3HZ       LYS  68  17.468   2.924   3.260
  559    H    LYS  69           H        LYS  69  15.118  -3.385   2.327
  560    HA   LYS  69           HA       LYS  69  15.433  -5.838   3.949
  561   1HB   LYS  69          1HB       LYS  69  13.510  -5.796   2.120
  562   2HB   LYS  69          2HB       LYS  69  14.871  -6.012   0.994
  563   1HG   LYS  69          1HG       LYS  69  15.592  -8.013   2.174
  564   2HG   LYS  69          2HG       LYS  69  14.359  -7.760   3.433
  565   1HD   LYS  69          1HD       LYS  69  12.583  -8.265   1.949
  566   2HD   LYS  69          2HD       LYS  69  13.624  -8.099   0.515
  567   1HE   LYS  69          1HE       LYS  69  14.000 -10.249   2.639
  568   2HE   LYS  69          2HE       LYS  69  13.079 -10.489   1.139
  569   1HZ   LYS  69          1HZ       LYS  69  15.891  -9.672   1.303
  570   2HZ   LYS  69          2HZ       LYS  69  15.365 -11.159   0.904
  571   3HZ   LYS  69          3HZ       LYS  69  15.043  -9.904  -0.077
  572    H    MET  70           H        MET  70  17.307  -6.909   3.614
  573    HA   MET  70           HA       MET  70  19.451  -5.363   2.353
  574   1HB   MET  70          1HB       MET  70  19.356  -7.509   4.446
  575   2HB   MET  70          2HB       MET  70  20.863  -7.197   3.553
  576   1HG   MET  70          1HG       MET  70  20.928  -5.910   5.574
  577   2HG   MET  70          2HG       MET  70  20.693  -4.793   4.219
  578   1HE   MET  70          1HE       MET  70  19.726  -2.740   5.236
  579   2HE   MET  70          2HE       MET  70  18.643  -2.723   6.650
  580   3HE   MET  70          3HE       MET  70  20.270  -3.434   6.782

  No H/Q in entry =         580
  Start of MODEL   15
    1    H1   ALA   1           H1       ALA   1 -14.473   6.192   0.111
    2    H2   ALA   1           H2       ALA   1 -15.952   6.887   0.037
    3    H3   ALA   1           H3       ALA   1 -15.059   6.772  -1.312
    4    HA   ALA   1           HA       ALA   1 -14.979   8.989  -0.551
    5   1HB   ALA   1          1HB       ALA   1 -14.211   9.477   1.744
    6   2HB   ALA   1          2HB       ALA   1 -14.055   7.733   2.064
    7   3HB   ALA   1          3HB       ALA   1 -15.657   8.441   1.749
    8    H    SER   2           H        SER   2 -13.384   7.274  -2.121
    9    HA   SER   2           HA       SER   2 -10.702   7.120  -1.805
   10   1HB   SER   2          1HB       SER   2 -12.207   8.046  -4.291
   11   2HB   SER   2          2HB       SER   2 -10.523   7.468  -4.271
   12    HG   SER   2           HG       SER   2 -11.889   5.723  -4.815
   13    H    ASN   3           H        ASN   3  -8.891   8.417  -2.463
   14    HA   ASN   3           HA       ASN   3  -9.388  11.292  -1.869
   15   1HB   ASN   3          1HB       ASN   3  -7.256  11.281  -0.796
   16   2HB   ASN   3          2HB       ASN   3  -8.131   9.854  -0.202
   17   2HD2  ASN   3          2HD2      ASN   3  -5.415  10.087   0.067
   18   1HD2  ASN   3          1HD2      ASN   3  -4.586   8.966  -0.993
   19    H    TYR   4           H        TYR   4  -6.756  12.047  -2.690
   20    HA   TYR   4           HA       TYR   4  -6.719  12.799  -5.251
   21   1HB   TYR   4          1HB       TYR   4  -4.828  12.387  -3.149
   22   2HB   TYR   4          2HB       TYR   4  -4.114  11.693  -4.614
   23    HD1  TYR   4           HD1      TYR   4  -2.647  13.098  -5.645
   24    HD2  TYR   4           HD2      TYR   4  -6.232  14.768  -3.879
   25    HE1  TYR   4           HE1      TYR   4  -1.956  15.385  -6.399
   26    HE2  TYR   4           HE2      TYR   4  -5.540  17.053  -4.633
   27    HH   TYR   4           HH       TYR   4  -4.051  18.249  -5.730
   28    H    ASP   5           H        ASP   5  -6.630  11.996  -7.196
   29    HA   ASP   5           HA       ASP   5  -6.490   9.117  -7.610
   30   1HB   ASP   5          1HB       ASP   5  -7.027   9.771  -9.993
   31   2HB   ASP   5          2HB       ASP   5  -8.251  10.165  -8.766
   32    HD2  ASP   5           HD2      ASP   5  -7.836  13.574  -9.187
   33    H    CYS   6           H        CYS   6  -4.150   9.824  -6.614
   34    HA   CYS   6           HA       CYS   6  -2.140  10.866  -8.261
   35   1HB   CYS   6          1HB       CYS   6  -1.589  10.815  -6.062
   36   2HB   CYS   6          2HB       CYS   6  -2.239   9.175  -5.814
   37    H    CYS   7           H        CYS   7  -1.803   7.397  -7.389
   38    HA   CYS   7           HA       CYS   7  -0.620   6.503  -9.729
   39   1HB   CYS   7          1HB       CYS   7  -1.592   5.513  -7.305
   40   2HB   CYS   7          2HB       CYS   7  -2.590   4.680  -8.523
   41    H    LEU   8           H        LEU   8  -1.568   5.271 -11.546
   42    HA   LEU   8           HA       LEU   8  -3.336   6.523 -13.085
   43   1HB   LEU   8          1HB       LEU   8  -1.946   4.161 -13.180
   44   2HB   LEU   8          2HB       LEU   8  -3.633   3.601 -13.280
   45    HG   LEU   8           HG       LEU   8  -2.655   3.893 -15.485
   46   1HD1  LEU   8          1HD1      LEU   8  -5.052   4.262 -15.270
   47   2HD1  LEU   8          2HD1      LEU   8  -4.771   5.993 -14.959
   48   3HD1  LEU   8          3HD1      LEU   8  -4.372   5.295 -16.544
   49   1HD2  LEU   8          1HD2      LEU   8  -0.999   5.609 -14.974
   50   2HD2  LEU   8          2HD2      LEU   8  -1.991   6.089 -16.368
   51   3HD2  LEU   8          3HD2      LEU   8  -2.292   6.815 -14.773
   52    H    SER   9           H        SER   9  -4.228   4.358 -10.493
   53    HA   SER   9           HA       SER   9  -6.823   5.472 -10.221
   54   1HB   SER   9          1HB       SER   9  -7.934   3.133 -10.227
   55   2HB   SER   9          2HB       SER   9  -7.652   3.920 -11.798
   56    HG   SER   9           HG       SER   9  -6.914   1.761 -11.923
   57    H    TYR  10           H        TYR  10  -6.651   5.897  -8.116
   58    HA   TYR  10           HA       TYR  10  -5.176   4.738  -6.117
   59   1HB   TYR  10          1HB       TYR  10  -6.638   6.794  -6.037
   60   2HB   TYR  10          2HB       TYR  10  -8.044   5.725  -5.882
   61    HD1  TYR  10           HD1      TYR  10  -8.857   5.311  -3.722
   62    HD2  TYR  10           HD2      TYR  10  -4.675   6.265  -4.293
   63    HE1  TYR  10           HE1      TYR  10  -8.513   5.246  -1.248
   64    HE2  TYR  10           HE2      TYR  10  -4.320   6.159  -1.812
   65    HH   TYR  10           HH       TYR  10  -5.481   6.201   0.219
   66    H    ILE  11           H        ILE  11  -6.030   3.361  -4.192
   67    HA   ILE  11           HA       ILE  11  -7.034   0.905  -5.145
   68    HB   ILE  11           HB       ILE  11  -5.485   1.130  -3.293
   69   1HG1  ILE  11          1HG1      ILE  11  -6.313  -0.681  -1.990
   70   2HG1  ILE  11          2HG1      ILE  11  -7.997  -0.296  -2.421
   71   1HG2  ILE  11          1HG2      ILE  11  -6.487   3.016  -2.067
   72   2HG2  ILE  11          2HG2      ILE  11  -7.892   2.005  -1.652
   73   3HG2  ILE  11          3HG2      ILE  11  -6.290   1.613  -0.998
   74   1HD1  ILE  11          1HD1      ILE  11  -5.859  -1.303  -4.328
   75   2HD1  ILE  11          2HD1      ILE  11  -7.188  -2.274  -3.664
   76   3HD1  ILE  11          3HD1      ILE  11  -7.544  -0.920  -4.756
   77    H    GLN  12           H        GLN  12  -8.834   1.466  -6.308
   78    HA   GLN  12           HA       GLN  12 -11.195   2.489  -5.349
   79   1HB   GLN  12          1HB       GLN  12 -12.305   1.300  -7.155
   80   2HB   GLN  12          2HB       GLN  12 -10.755   1.991  -7.689
   81   1HG   GLN  12          1HG       GLN  12  -9.803  -0.064  -8.044
   82   2HG   GLN  12          2HG       GLN  12 -10.729  -0.842  -6.742
   83   2HE2  GLN  12          2HE2      GLN  12 -13.131  -1.033  -7.131
   84   1HE2  GLN  12          1HE2      GLN  12 -13.660  -1.440  -8.750
   85    H    THR  13           H        THR  13  -9.760  -0.475  -4.461
   86    HA   THR  13           HA       THR  13 -11.920  -1.136  -2.669
   87    HB   THR  13           HB       THR  13 -11.304  -2.802  -5.046
   88    HG1  THR  13           HG1      THR  13 -13.702  -3.133  -4.473
   89   1HG2  THR  13          1HG2      THR  13 -12.226  -4.087  -2.456
   90   2HG2  THR  13          2HG2      THR  13 -12.236  -4.864  -4.050
   91   3HG2  THR  13          3HG2      THR  13 -10.694  -4.415  -3.300
   92    HA   PRO  14           HA       PRO  14  -8.027  -1.728  -0.495
   93   1HB   PRO  14          1HB       PRO  14  -9.228  -1.399   2.010
   94   2HB   PRO  14          2HB       PRO  14  -8.464  -0.134   0.995
   95   1HG   PRO  14          1HG       PRO  14 -11.331  -0.675   1.456
   96   2HG   PRO  14          2HG       PRO  14 -10.517   0.877   1.074
   97   1HD   PRO  14          1HD       PRO  14 -11.964  -0.715  -0.742
   98   2HD   PRO  14          2HD       PRO  14 -10.718   0.484  -1.202
   99    H    LEU  15           H        LEU  15  -7.421  -3.808  -0.669
  100    HA   LEU  15           HA       LEU  15  -9.186  -5.846   0.509
  101   1HB   LEU  15          1HB       LEU  15  -7.776  -7.430  -0.870
  102   2HB   LEU  15          2HB       LEU  15  -8.836  -6.309  -1.759
  103    HG   LEU  15           HG       LEU  15  -6.049  -5.379  -1.337
  104   1HD1  LEU  15          1HD1      LEU  15  -5.741  -7.810  -1.762
  105   2HD1  LEU  15          2HD1      LEU  15  -6.776  -7.687  -3.205
  106   3HD1  LEU  15          3HD1      LEU  15  -5.209  -6.844  -3.160
  107   1HD2  LEU  15          1HD2      LEU  15  -7.882  -5.556  -3.768
  108   2HD2  LEU  15          2HD2      LEU  15  -7.686  -4.131  -2.721
  109   3HD2  LEU  15          3HD2      LEU  15  -6.323  -4.705  -3.708
  110    HA   PRO  16           HA       PRO  16  -6.473  -6.475   3.888
  111   1HB   PRO  16          1HB       PRO  16  -6.627  -9.160   4.455
  112   2HB   PRO  16          2HB       PRO  16  -7.988  -8.022   4.722
  113   1HG   PRO  16          1HG       PRO  16  -7.547  -9.878   2.391
  114   2HG   PRO  16          2HG       PRO  16  -9.054  -9.616   3.327
  115   1HD   PRO  16          1HD       PRO  16  -8.552  -8.412   0.897
  116   2HD   PRO  16          2HD       PRO  16  -9.495  -7.601   2.186
  117    H    SER  17           H        SER  17  -4.319  -7.090   4.480
  118    HA   SER  17           HA       SER  17  -2.506  -7.486   2.439
  119   1HB   SER  17          1HB       SER  17  -0.796  -7.742   4.037
  120   2HB   SER  17          2HB       SER  17  -1.990  -6.633   4.755
  121    HG   SER  17           HG       SER  17  -1.051  -8.582   6.040
  122    H    ARG  18           H        ARG  18  -4.442  -9.903   3.929
  123    HA   ARG  18           HA       ARG  18  -2.949 -12.241   3.484
  124   1HB   ARG  18          1HB       ARG  18  -5.119 -11.875   4.793
  125   2HB   ARG  18          2HB       ARG  18  -5.955 -11.954   3.224
  126   1HG   ARG  18          1HG       ARG  18  -4.727 -14.167   2.833
  127   2HG   ARG  18          2HG       ARG  18  -4.255 -14.100   4.548
  128   1HD   ARG  18          1HD       ARG  18  -7.145 -13.713   3.975
  129   2HD   ARG  18          2HD       ARG  18  -6.495 -15.334   3.645
  130    HE   ARG  18           HE       ARG  18  -5.511 -14.726   6.118
  131   1HH1  ARG  18          1HH1      ARG  18  -6.498 -15.390   8.071
  132   2HH1  ARG  18          2HH1      ARG  18  -8.221 -15.680   8.123
  133   1HH2  ARG  18          1HH2      ARG  18  -8.770 -14.856   4.774
  134   2HH2  ARG  18          2HH2      ARG  18  -9.496 -15.380   6.272
  135    H    ALA  19           H        ALA  19  -4.424 -10.057   1.191
  136    HA   ALA  19           HA       ALA  19  -4.236 -12.047  -0.972
  137   1HB   ALA  19          1HB       ALA  19  -5.546 -10.388  -2.244
  138   2HB   ALA  19          2HB       ALA  19  -5.504  -9.282  -0.849
  139   3HB   ALA  19          3HB       ALA  19  -6.365 -10.834  -0.726
  140    H    ILE  20           H        ILE  20  -2.158  -9.898   0.549
  141    HA   ILE  20           HA       ILE  20  -1.043  -8.687  -1.888
  142    HB   ILE  20           HB       ILE  20  -1.012  -8.111   1.059
  143   1HG1  ILE  20          1HG1      ILE  20  -1.459  -5.800   0.217
  144   2HG1  ILE  20          2HG1      ILE  20  -1.530  -6.477  -1.428
  145   1HG2  ILE  20          1HG2      ILE  20   1.350  -8.039   0.413
  146   2HG2  ILE  20          2HG2      ILE  20   0.954  -6.935  -0.928
  147   3HG2  ILE  20          3HG2      ILE  20   0.743  -6.406   0.755
  148   1HD1  ILE  20          1HD1      ILE  20  -3.446  -7.069   0.824
  149   2HD1  ILE  20          2HD1      ILE  20  -3.781  -6.012  -0.557
  150   3HD1  ILE  20          3HD1      ILE  20  -3.518  -7.743  -0.822
  151    H    VAL  21           H        VAL  21   0.484  -9.704  -2.839
  152    HA   VAL  21           HA       VAL  21   2.052 -11.732  -1.444
  153    HB   VAL  21           HB       VAL  21   0.893 -11.489  -3.944
  154   1HG1  VAL  21          1HG1      VAL  21   2.848 -10.418  -4.947
  155   2HG1  VAL  21          2HG1      VAL  21   3.885 -11.731  -4.341
  156   3HG1  VAL  21          3HG1      VAL  21   2.656 -12.065  -5.574
  157   1HG2  VAL  21          1HG2      VAL  21   1.126 -13.449  -2.473
  158   2HG2  VAL  21          2HG2      VAL  21   1.700 -13.822  -4.116
  159   3HG2  VAL  21          3HG2      VAL  21   2.873 -13.506  -2.815
  160    H    GLY  22           H        GLY  22   2.667  -8.700  -3.230
  161   1HA   GLY  22          1HA       GLY  22   5.299  -8.447  -3.480
  162   2HA   GLY  22          2HA       GLY  22   5.149  -8.269  -1.717
  163    H    PHE  23           H        PHE  23   5.296  -6.138  -1.264
  164    HA   PHE  23           HA       PHE  23   4.100  -4.219  -3.116
  165   1HB   PHE  23          1HB       PHE  23   2.966  -3.075  -1.305
  166   2HB   PHE  23          2HB       PHE  23   2.390  -4.745  -1.458
  167    HD1  PHE  23           HD1      PHE  23   3.540  -6.513   0.098
  168    HD2  PHE  23           HD2      PHE  23   3.521  -2.243   0.768
  169    HE1  PHE  23           HE1      PHE  23   4.037  -6.915   2.511
  170    HE2  PHE  23           HE2      PHE  23   3.932  -2.635   3.206
  171    HZ   PHE  23           HZ       PHE  23   4.242  -4.955   4.031
  172    H    THR  24           H        THR  24   4.538  -1.971  -2.475
  173    HA   THR  24           HA       THR  24   7.199  -1.611  -1.223
  174    HB   THR  24           HB       THR  24   6.488  -0.320  -3.858
  175    HG1  THR  24           HG1      THR  24   7.915  -2.212  -4.703
  176   1HG2  THR  24          1HG2      THR  24   8.450   0.528  -2.618
  177   2HG2  THR  24          2HG2      THR  24   9.135  -1.114  -2.579
  178   3HG2  THR  24          3HG2      THR  24   8.950  -0.264  -4.128
  179    H    ARG  25           H        ARG  25   7.687   0.780  -1.067
  180    HA   ARG  25           HA       ARG  25   5.339   2.182   0.038
  181   1HB   ARG  25          1HB       ARG  25   8.340   2.592   0.410
  182   2HB   ARG  25          2HB       ARG  25   7.085   3.642   1.110
  183   1HG   ARG  25          1HG       ARG  25   6.156   1.725   2.348
  184   2HG   ARG  25          2HG       ARG  25   7.387   0.657   1.631
  185   1HD   ARG  25          1HD       ARG  25   8.583   1.152   3.505
  186   2HD   ARG  25          2HD       ARG  25   8.954   2.668   2.655
  187    HE   ARG  25           HE       ARG  25   6.447   2.686   4.163
  188   1HH1  ARG  25          1HH1      ARG  25   6.297   4.085   5.978
  189   2HH1  ARG  25          2HH1      ARG  25   7.744   4.792   6.651
  190   1HH2  ARG  25          1HH2      ARG  25   9.914   3.319   4.358
  191   2HH2  ARG  25          2HH2      ARG  25   9.764   4.365   5.748
  192    H    GLN  26           H        GLN  26   4.810   4.239  -0.571
  193    HA   GLN  26           HA       GLN  26   6.395   5.559  -2.710
  194   1HB   GLN  26          1HB       GLN  26   4.359   4.347  -3.602
  195   2HB   GLN  26          2HB       GLN  26   3.363   5.383  -2.551
  196   1HG   GLN  26          1HG       GLN  26   4.384   7.385  -3.744
  197   2HG   GLN  26          2HG       GLN  26   5.091   6.236  -4.901
  198   2HE2  GLN  26          2HE2      GLN  26   2.035   7.364  -3.479
  199   1HE2  GLN  26          1HE2      GLN  26   1.017   6.942  -4.840
  200    H    MET  27           H        MET  27   7.252   7.029  -1.292
  201    HA   MET  27           HA       MET  27   5.745   8.583   0.568
  202   1HB   MET  27          1HB       MET  27   7.724  10.125   0.431
  203   2HB   MET  27          2HB       MET  27   8.065   8.443   0.905
  204   1HG   MET  27          1HG       MET  27   8.324   9.024  -1.988
  205   2HG   MET  27          2HG       MET  27   9.490   9.849  -0.941
  206   1HE   MET  27          1HE       MET  27  10.126   7.566  -3.231
  207   2HE   MET  27          2HE       MET  27  10.239   5.897  -2.622
  208   3HE   MET  27          3HE       MET  27   8.648   6.669  -2.810
  209    H    ALA  28           H        ALA  28   5.810  11.065   0.361
  210    HA   ALA  28           HA       ALA  28   4.331  11.883  -2.056
  211   1HB   ALA  28          1HB       ALA  28   4.830  13.186   0.662
  212   2HB   ALA  28          2HB       ALA  28   3.368  12.282   0.201
  213   3HB   ALA  28          3HB       ALA  28   3.760  13.814  -0.617
  214    H    ASP  29           H        ASP  29   5.634  12.621  -3.641
  215    HA   ASP  29           HA       ASP  29   7.126  14.842  -3.659
  216   1HB   ASP  29          1HB       ASP  29   8.778  12.763  -2.468
  217   2HB   ASP  29          2HB       ASP  29   9.482  13.358  -3.987
  218    HD2  ASP  29           HD2      ASP  29  10.852  15.776  -1.999
  219    H    GLU  30           H        GLU  30   7.649  11.470  -4.774
  220    HA   GLU  30           HA       GLU  30   8.646  12.067  -7.341
  221   1HB   GLU  30          1HB       GLU  30   8.502   9.905  -5.741
  222   2HB   GLU  30          2HB       GLU  30   7.166   9.528  -6.855
  223   1HG   GLU  30          1HG       GLU  30   9.277  10.452  -8.486
  224   2HG   GLU  30          2HG       GLU  30  10.036   9.378  -7.293
  225    H    ALA  31           H        ALA  31   6.734  10.194  -8.880
  226    HA   ALA  31           HA       ALA  31   5.023  11.957 -10.098
  227   1HB   ALA  31          1HB       ALA  31   4.706   8.955  -9.689
  228   2HB   ALA  31          2HB       ALA  31   5.679   9.741 -10.955
  229   3HB   ALA  31          3HB       ALA  31   3.909   9.924 -10.952
  230    H    CYS  32           H        CYS  32   4.666  10.639  -6.930
  231    HA   CYS  32           HA       CYS  32   1.795  11.334  -6.774
  232   1HB   CYS  32          1HB       CYS  32   2.940   9.020  -5.988
  233   2HB   CYS  32          2HB       CYS  32   3.292  10.012  -4.552
  234    H    ASP  33           H        ASP  33   1.239  12.919  -5.436
  235    HA   ASP  33           HA       ASP  33   3.313  14.473  -4.018
  236   1HB   ASP  33          1HB       ASP  33   1.649  15.494  -5.626
  237   2HB   ASP  33          2HB       ASP  33   0.372  15.077  -4.463
  238    HD2  ASP  33           HD2      ASP  33   1.093  18.425  -3.702
  239    H    ILE  34           H        ILE  34   1.363  11.837  -3.282
  240    HA   ILE  34           HA       ILE  34   1.104  12.660  -0.475
  241    HB   ILE  34           HB       ILE  34  -1.018  11.723  -0.204
  242   1HG1  ILE  34          1HG1      ILE  34  -0.956  10.742  -3.057
  243   2HG1  ILE  34          2HG1      ILE  34  -0.721   9.748  -1.599
  244   1HG2  ILE  34          1HG2      ILE  34  -1.056  13.997  -1.119
  245   2HG2  ILE  34          2HG2      ILE  34  -1.120  13.345  -2.773
  246   3HG2  ILE  34          3HG2      ILE  34  -2.479  13.081  -1.659
  247   1HD1  ILE  34          1HD1      ILE  34  -3.258  11.229  -2.352
  248   2HD1  ILE  34          2HD1      ILE  34  -3.004   9.480  -2.503
  249   3HD1  ILE  34          3HD1      ILE  34  -3.023  10.233  -0.896
  250    H    ASN  35           H        ASN  35   0.875  10.588   0.878
  251    HA   ASN  35           HA       ASN  35   2.853   8.639  -0.066
  252   1HB   ASN  35          1HB       ASN  35   1.156   8.727   2.439
  253   2HB   ASN  35          2HB       ASN  35   2.550   7.665   2.135
  254   2HD2  ASN  35          2HD2      ASN  35   2.087   9.428   4.349
  255   1HD2  ASN  35          1HD2      ASN  35   3.397  10.588   4.367
  256    H    ALA  36           H        ALA  36   2.450   6.585  -0.648
  257    HA   ALA  36           HA       ALA  36  -0.125   5.355  -0.332
  258   1HB   ALA  36          1HB       ALA  36  -0.533   4.754  -2.682
  259   2HB   ALA  36          2HB       ALA  36   0.842   5.765  -3.171
  260   3HB   ALA  36          3HB       ALA  36  -0.594   6.510  -2.427
  261    H    ILE  37           H        ILE  37  -0.181   3.135  -0.988
  262    HA   ILE  37           HA       ILE  37   2.463   1.829  -0.677
  263    HB   ILE  37           HB       ILE  37  -0.240   0.796   0.194
  264   1HG1  ILE  37          1HG1      ILE  37  -0.144   2.740   1.456
  265   2HG1  ILE  37          2HG1      ILE  37   0.350   1.410   2.529
  266   1HG2  ILE  37          1HG2      ILE  37   1.518  -0.845  -0.139
  267   2HG2  ILE  37          2HG2      ILE  37   2.577   0.034   0.991
  268   3HG2  ILE  37          3HG2      ILE  37   1.081  -0.727   1.581
  269   1HD1  ILE  37          1HD1      ILE  37   2.204   3.442   1.246
  270   2HD1  ILE  37          2HD1      ILE  37   1.702   3.440   2.947
  271   3HD1  ILE  37          3HD1      ILE  37   2.696   2.112   2.320
  272    H    ILE  38           H        ILE  38   3.014   0.949  -2.460
  273    HA   ILE  38           HA       ILE  38   1.167   0.251  -4.611
  274    HB   ILE  38           HB       ILE  38   4.045   0.769  -4.209
  275   1HG1  ILE  38          1HG1      ILE  38   3.414   1.491  -6.764
  276   2HG1  ILE  38          2HG1      ILE  38   1.808   1.539  -5.998
  277   1HG2  ILE  38          1HG2      ILE  38   4.258  -1.446  -5.238
  278   2HG2  ILE  38          2HG2      ILE  38   3.175  -0.936  -6.555
  279   3HG2  ILE  38          3HG2      ILE  38   4.770  -0.187  -6.373
  280   1HD1  ILE  38          1HD1      ILE  38   4.307   2.948  -4.981
  281   2HD1  ILE  38          2HD1      ILE  38   2.946   3.726  -5.822
  282   3HD1  ILE  38          3HD1      ILE  38   2.700   2.997  -4.217
  283    H    PHE  39           H        PHE  39   0.022  -1.549  -4.102
  284    HA   PHE  39           HA       PHE  39   1.389  -3.921  -3.030
  285   1HB   PHE  39          1HB       PHE  39  -1.528  -3.235  -3.490
  286   2HB   PHE  39          2HB       PHE  39  -0.967  -4.816  -2.919
  287    HD1  PHE  39           HD1      PHE  39   0.714  -4.737  -0.911
  288    HD2  PHE  39           HD2      PHE  39  -2.077  -1.569  -1.811
  289    HE1  PHE  39           HE1      PHE  39   0.537  -4.231   1.520
  290    HE2  PHE  39           HE2      PHE  39  -2.254  -1.063   0.622
  291    HZ   PHE  39           HZ       PHE  39  -1.005  -2.425   2.279
  292    H    HIS  40           H        HIS  40   1.596  -5.864  -4.081
  293    HA   HIS  40           HA       HIS  40   0.587  -6.116  -6.871
  294   1HB   HIS  40          1HB       HIS  40   3.207  -7.251  -5.823
  295   2HB   HIS  40          2HB       HIS  40   2.674  -7.085  -7.507
  296    HD1  HIS  40           HD1      HIS  40   2.314  -4.272  -8.083
  297    HD2  HIS  40           HD2      HIS  40   4.814  -5.408  -5.018
  298    HE1  HIS  40           HE1      HIS  40   4.166  -2.516  -7.996
  299    HE2  HIS  40           HE2      HIS  40   5.395  -3.070  -5.813
  300    H    THR  41           H        THR  41  -1.133  -7.082  -5.648
  301    HA   THR  41           HA       THR  41  -0.878  -9.377  -4.012
  302    HB   THR  41           HB       THR  41  -3.206  -9.595  -4.261
  303    HG1  THR  41           HG1      THR  41  -4.086  -8.107  -6.186
  304   1HG2  THR  41          1HG2      THR  41  -2.632  -7.534  -3.109
  305   2HG2  THR  41          2HG2      THR  41  -2.651  -6.651  -4.654
  306   3HG2  THR  41          3HG2      THR  41  -4.152  -7.348  -4.008
  307    H    LYS  42           H        LYS  42  -2.283 -11.465  -4.965
  308    HA   LYS  42           HA       LYS  42  -0.586 -12.368  -7.201
  309   1HB   LYS  42          1HB       LYS  42  -1.223 -13.498  -4.785
  310   2HB   LYS  42          2HB       LYS  42  -2.349 -14.327  -5.887
  311   1HG   LYS  42          1HG       LYS  42  -0.590 -15.154  -7.246
  312   2HG   LYS  42          2HG       LYS  42   0.586 -14.000  -6.575
  313   1HD   LYS  42          1HD       LYS  42   0.734 -15.157  -4.527
  314   2HD   LYS  42          2HD       LYS  42  -0.778 -16.048  -4.821
  315   1HE   LYS  42          1HE       LYS  42   1.673 -16.415  -6.569
  316   2HE   LYS  42          2HE       LYS  42   1.411 -17.365  -5.091
  317   1HZ   LYS  42          1HZ       LYS  42  -0.459 -17.138  -7.341
  318   2HZ   LYS  42          2HZ       LYS  42   0.496 -18.429  -7.024
  319   3HZ   LYS  42          3HZ       LYS  42  -0.695 -18.032  -5.980
  320    H    LYS  43           H        LYS  43  -3.615 -11.002  -6.883
  321    HA   LYS  43           HA       LYS  43  -4.422 -11.928  -9.535
  322   1HB   LYS  43          1HB       LYS  43  -5.389 -13.413  -7.621
  323   2HB   LYS  43          2HB       LYS  43  -6.473 -12.029  -7.338
  324   1HG   LYS  43          1HG       LYS  43  -7.389 -12.171  -9.545
  325   2HG   LYS  43          2HG       LYS  43  -6.103 -13.272 -10.089
  326   1HD   LYS  43          1HD       LYS  43  -6.953 -14.946  -8.381
  327   2HD   LYS  43          2HD       LYS  43  -8.343 -13.866  -8.121
  328   1HE   LYS  43          1HE       LYS  43  -7.656 -14.745 -10.916
  329   2HE   LYS  43          2HE       LYS  43  -8.506 -15.868  -9.833
  330   1HZ   LYS  43          1HZ       LYS  43  -9.410 -13.156 -10.495
  331   2HZ   LYS  43          2HZ       LYS  43  -9.988 -14.545 -11.133
  332   3HZ   LYS  43          3HZ       LYS  43 -10.192 -14.240  -9.542
  333    H    ARG  44           H        ARG  44  -3.352  -9.433  -8.598
  334    HA   ARG  44           HA       ARG  44  -5.224  -7.604  -9.811
  335   1HB   ARG  44          1HB       ARG  44  -5.682  -8.045  -7.143
  336   2HB   ARG  44          2HB       ARG  44  -4.481  -6.734  -7.085
  337   1HG   ARG  44          1HG       ARG  44  -5.903  -5.223  -8.179
  338   2HG   ARG  44          2HG       ARG  44  -6.955  -6.517  -8.803
  339   1HD   ARG  44          1HD       ARG  44  -6.601  -6.150  -5.817
  340   2HD   ARG  44          2HD       ARG  44  -7.738  -5.116  -6.708
  341    HE   ARG  44           HE       ARG  44  -8.028  -7.990  -7.176
  342   1HH1  ARG  44          1HH1      ARG  44 -10.085  -8.875  -6.669
  343   2HH1  ARG  44          2HH1      ARG  44 -11.173  -8.005  -5.617
  344   1HH2  ARG  44          1HH2      ARG  44  -9.052  -5.287  -5.167
  345   2HH2  ARG  44          2HH2      ARG  44 -10.597  -6.002  -4.779
  346    H    LYS  45           H        LYS  45  -4.027  -6.148 -10.763
  347    HA   LYS  45           HA       LYS  45  -1.195  -6.154 -10.795
  348   1HB   LYS  45          1HB       LYS  45  -1.499  -4.280 -12.298
  349   2HB   LYS  45          2HB       LYS  45  -2.718  -5.532 -12.640
  350   1HG   LYS  45          1HG       LYS  45  -4.331  -4.142 -11.221
  351   2HG   LYS  45          2HG       LYS  45  -3.114  -2.844 -11.297
  352   1HD   LYS  45          1HD       LYS  45  -3.208  -3.413 -13.901
  353   2HD   LYS  45          2HD       LYS  45  -4.833  -3.994 -13.463
  354   1HE   LYS  45          1HE       LYS  45  -5.085  -1.699 -14.125
  355   2HE   LYS  45          2HE       LYS  45  -5.213  -1.725 -12.353
  356   1HZ   LYS  45          1HZ       LYS  45  -2.900  -1.129 -12.254
  357   2HZ   LYS  45          2HZ       LYS  45  -2.798  -1.113 -13.895
  358   3HZ   LYS  45          3HZ       LYS  45  -3.729  -0.021 -13.112
  359    H    SER  46           H        SER  46  -0.207  -3.634 -10.683
  360    HA   SER  46           HA       SER  46   0.313  -3.158  -7.996
  361   1HB   SER  46          1HB       SER  46   0.823  -0.745  -9.158
  362   2HB   SER  46          2HB       SER  46   1.933  -2.137  -9.148
  363    HG   SER  46           HG       SER  46   1.627  -1.283 -11.290
  364    H    VAL  47           H        VAL  47  -0.764  -2.417  -6.456
  365    HA   VAL  47           HA       VAL  47  -3.180  -0.730  -6.914
  366    HB   VAL  47           HB       VAL  47  -2.444  -3.051  -5.227
  367   1HG1  VAL  47          1HG1      VAL  47  -2.783  -1.483  -3.411
  368   2HG1  VAL  47          2HG1      VAL  47  -4.375  -1.041  -4.071
  369   3HG1  VAL  47          3HG1      VAL  47  -4.093  -2.677  -3.448
  370   1HG2  VAL  47          1HG2      VAL  47  -3.943  -3.234  -7.145
  371   2HG2  VAL  47          2HG2      VAL  47  -4.789  -3.679  -5.647
  372   3HG2  VAL  47          3HG2      VAL  47  -5.075  -2.088  -6.388
  373    H    CYS  48           H        CYS  48  -3.022   1.355  -6.305
  374    HA   CYS  48           HA       CYS  48  -0.882   2.037  -4.377
  375   1HB   CYS  48          1HB       CYS  48  -2.301   3.658  -6.499
  376   2HB   CYS  48          2HB       CYS  48  -1.243   4.377  -5.258
  377    H    ALA  49           H        ALA  49  -1.632   1.928  -2.418
  378    HA   ALA  49           HA       ALA  49  -4.207   3.278  -1.820
  379   1HB   ALA  49          1HB       ALA  49  -4.045   0.814  -1.582
  380   2HB   ALA  49          2HB       ALA  49  -4.259   1.606   0.002
  381   3HB   ALA  49          3HB       ALA  49  -2.653   1.008  -0.490
  382    H    ASP  50           H        ASP  50  -4.333   4.888  -0.344
  383    HA   ASP  50           HA       ASP  50  -1.836   6.111   0.504
  384   1HB   ASP  50          1HB       ASP  50  -3.955   7.342  -0.127
  385   2HB   ASP  50          2HB       ASP  50  -4.616   6.838   1.443
  386    HD2  ASP  50           HD2      ASP  50  -2.182   8.892   3.086
  387    HA   PRO  51           HA       PRO  51  -1.680   4.061   4.518
  388   1HB   PRO  51          1HB       PRO  51   0.440   5.314   5.657
  389   2HB   PRO  51          2HB       PRO  51   0.581   4.103   4.342
  390   1HG   PRO  51          1HG       PRO  51   0.462   7.110   4.068
  391   2HG   PRO  51          2HG       PRO  51   1.697   6.003   3.386
  392   1HD   PRO  51          1HD       PRO  51  -0.394   6.872   1.883
  393   2HD   PRO  51          2HD       PRO  51   0.148   5.169   1.768
  394    H    LYS  52           H        LYS  52  -3.757   5.673   4.219
  395    HA   LYS  52           HA       LYS  52  -3.877   7.184   6.762
  396   1HB   LYS  52          1HB       LYS  52  -5.408   7.361   4.175
  397   2HB   LYS  52          2HB       LYS  52  -6.121   7.960   5.692
  398   1HG   LYS  52          1HG       LYS  52  -4.518   9.657   5.925
  399   2HG   LYS  52          2HG       LYS  52  -3.337   8.825   4.887
  400   1HD   LYS  52          1HD       LYS  52  -4.105   9.992   3.135
  401   2HD   LYS  52          2HD       LYS  52  -5.667   9.157   3.318
  402   1HE   LYS  52          1HE       LYS  52  -6.262  11.414   3.298
  403   2HE   LYS  52          2HE       LYS  52  -6.213  11.027   5.033
  404   1HZ   LYS  52          1HZ       LYS  52  -4.010  11.944   5.095
  405   2HZ   LYS  52          2HZ       LYS  52  -4.072  12.302   3.497
  406   3HZ   LYS  52          3HZ       LYS  52  -5.084  13.031   4.542
  407    H    GLN  53           H        GLN  53  -4.725   4.194   5.331
  408    HA   GLN  53           HA       GLN  53  -7.069   3.776   7.091
  409   1HB   GLN  53          1HB       GLN  53  -5.992   2.196   4.735
  410   2HB   GLN  53          2HB       GLN  53  -7.410   1.756   5.714
  411   1HG   GLN  53          1HG       GLN  53  -8.693   2.911   4.294
  412   2HG   GLN  53          2HG       GLN  53  -7.865   4.401   4.798
  413   2HE2  GLN  53          2HE2      GLN  53  -6.285   5.287   3.472
  414   1HE2  GLN  53          1HE2      GLN  53  -5.885   4.674   1.876
  415    H    ASN  54           H        ASN  54  -7.121   1.513   8.002
  416    HA   ASN  54           HA       ASN  54  -4.694   0.959   9.464
  417   1HB   ASN  54          1HB       ASN  54  -6.136  -0.718  10.605
  418   2HB   ASN  54          2HB       ASN  54  -6.827   0.919  10.615
  419   2HD2  ASN  54          2HD2      ASN  54  -7.426  -2.330   9.963
  420   1HD2  ASN  54          1HD2      ASN  54  -8.797  -2.189   8.877
  421    H    TRP  55           H        TRP  55  -6.782  -1.007   7.182
  422    HA   TRP  55           HA       TRP  55  -5.283  -3.256   7.050
  423   1HB   TRP  55          1HB       TRP  55  -6.329  -3.732   4.972
  424   2HB   TRP  55          2HB       TRP  55  -7.473  -2.753   5.898
  425    HD1  TRP  55           HD1      TRP  55  -7.933  -0.249   4.986
  426    HE1  TRP  55           HE1      TRP  55  -7.376   0.980   2.834
  427    HE3  TRP  55           HE3      TRP  55  -4.910  -3.731   2.931
  428    HZ2  TRP  55           HZ2      TRP  55  -6.094   0.408   0.387
  429    HZ3  TRP  55           HZ3      TRP  55  -4.298  -3.510   0.527
  430    HH2  TRP  55           HH2      TRP  55  -4.898  -1.467  -0.740
  431    H    VAL  56           H        VAL  56  -4.776  -0.412   4.943
  432    HA   VAL  56           HA       VAL  56  -2.444  -1.252   3.655
  433    HB   VAL  56           HB       VAL  56  -4.117   1.075   3.886
  434   1HG1  VAL  56          1HG1      VAL  56  -1.155   1.663   3.515
  435   2HG1  VAL  56          2HG1      VAL  56  -2.471   2.804   3.187
  436   3HG1  VAL  56          3HG1      VAL  56  -2.163   2.271   4.850
  437   1HG2  VAL  56          1HG2      VAL  56  -3.586  -0.384   1.925
  438   2HG2  VAL  56          2HG2      VAL  56  -3.202   1.320   1.583
  439   3HG2  VAL  56          3HG2      VAL  56  -1.898   0.177   1.987
  440    H    LYS  57           H        LYS  57  -2.700   1.019   6.425
  441    HA   LYS  57           HA       LYS  57  -0.061   1.164   7.069
  442   1HB   LYS  57          1HB       LYS  57  -2.618   1.593   8.479
  443   2HB   LYS  57          2HB       LYS  57  -1.198   1.350   9.525
  444   1HG   LYS  57          1HG       LYS  57  -0.717   3.122   7.212
  445   2HG   LYS  57          2HG       LYS  57  -1.933   3.737   8.356
  446   1HD   LYS  57          1HD       LYS  57   0.473   4.489   8.693
  447   2HD   LYS  57          2HD       LYS  57  -0.394   3.862  10.115
  448   1HE   LYS  57          1HE       LYS  57   0.945   2.016  10.296
  449   2HE   LYS  57          2HE       LYS  57   1.297   1.958   8.555
  450   1HZ   LYS  57          1HZ       LYS  57   2.701   3.837   8.848
  451   2HZ   LYS  57          2HZ       LYS  57   2.380   3.878  10.461
  452   3HZ   LYS  57          3HZ       LYS  57   3.166   2.605   9.814
  453    H    ARG  58           H        ARG  58  -2.237  -1.514   7.844
  454    HA   ARG  58           HA       ARG  58  -0.537  -2.936   9.570
  455   1HB   ARG  58          1HB       ARG  58  -3.104  -3.167   8.639
  456   2HB   ARG  58          2HB       ARG  58  -2.301  -4.455   7.712
  457   1HG   ARG  58          1HG       ARG  58  -2.981  -5.551   9.676
  458   2HG   ARG  58          2HG       ARG  58  -1.276  -5.154  10.002
  459   1HD   ARG  58          1HD       ARG  58  -2.353  -4.457  11.965
  460   2HD   ARG  58          2HD       ARG  58  -2.236  -2.952  11.028
  461    HE   ARG  58           HE       ARG  58  -4.631  -4.148  10.295
  462   1HH1  ARG  58          1HH1      ARG  58  -6.680  -3.738  11.300
  463   2HH1  ARG  58          2HH1      ARG  58  -6.730  -2.998  12.879
  464   1HH2  ARG  58          1HH2      ARG  58  -3.268  -2.795  13.249
  465   2HH2  ARG  58          2HH2      ARG  58  -4.822  -2.470  13.969
  466    H    ALA  59           H        ALA  59  -1.122  -3.443   5.991
  467    HA   ALA  59           HA       ALA  59   0.866  -5.423   5.672
  468   1HB   ALA  59          1HB       ALA  59  -0.225  -3.379   3.720
  469   2HB   ALA  59          2HB       ALA  59   0.664  -4.862   3.299
  470   3HB   ALA  59          3HB       ALA  59  -0.933  -4.971   4.082
  471    H    VAL  60           H        VAL  60   1.017  -1.836   5.368
  472    HA   VAL  60           HA       VAL  60   3.789  -1.698   4.846
  473    HB   VAL  60           HB       VAL  60   1.729   0.262   5.772
  474   1HG1  VAL  60          1HG1      VAL  60   4.684   0.941   5.487
  475   2HG1  VAL  60          2HG1      VAL  60   3.367   2.123   5.624
  476   3HG1  VAL  60          3HG1      VAL  60   3.736   1.052   6.989
  477   1HG2  VAL  60          1HG2      VAL  60   2.018  -0.558   3.445
  478   2HG2  VAL  60          2HG2      VAL  60   2.439   1.168   3.578
  479   3HG2  VAL  60          3HG2      VAL  60   3.727  -0.061   3.486
  480    H    ASN  61           H        ASN  61   2.033  -1.665   7.993
  481    HA   ASN  61           HA       ASN  61   4.030  -1.147   9.731
  482   1HB   ASN  61          1HB       ASN  61   1.591  -1.725  10.157
  483   2HB   ASN  61          2HB       ASN  61   2.064  -3.437  10.075
  484   2HD2  ASN  61          2HD2      ASN  61   2.404  -0.407  11.809
  485   1HD2  ASN  61          1HD2      ASN  61   3.094  -1.066  13.273
  486    H    LEU  62           H        LEU  62   3.262  -4.519   8.654
  487    HA   LEU  62           HA       LEU  62   5.530  -5.714   9.719
  488   1HB   LEU  62          1HB       LEU  62   3.778  -6.457   7.385
  489   2HB   LEU  62          2HB       LEU  62   5.188  -7.443   7.841
  490    HG   LEU  62           HG       LEU  62   4.056  -7.076  10.287
  491   1HD1  LEU  62          1HD1      LEU  62   2.108  -5.856   9.388
  492   2HD1  LEU  62          2HD1      LEU  62   1.729  -7.237   8.331
  493   3HD1  LEU  62          3HD1      LEU  62   1.611  -7.409  10.096
  494   1HD2  LEU  62          1HD2      LEU  62   4.760  -9.212   9.249
  495   2HD2  LEU  62          2HD2      LEU  62   3.156  -9.369  10.005
  496   3HD2  LEU  62          3HD2      LEU  62   3.293  -9.206   8.239
  497    H    LEU  63           H        LEU  63   5.164  -4.244   6.444
  498    HA   LEU  63           HA       LEU  63   7.813  -4.665   5.578
  499   1HB   LEU  63          1HB       LEU  63   6.530  -4.072   3.851
  500   2HB   LEU  63          2HB       LEU  63   5.514  -2.985   4.829
  501    HG   LEU  63           HG       LEU  63   8.281  -2.096   4.159
  502   1HD1  LEU  63          1HD1      LEU  63   7.484  -2.983   2.024
  503   2HD1  LEU  63          2HD1      LEU  63   5.988  -2.031   2.177
  504   3HD1  LEU  63          3HD1      LEU  63   7.553  -1.206   1.987
  505   1HD2  LEU  63          1HD2      LEU  63   6.819  -0.766   5.624
  506   2HD2  LEU  63          2HD2      LEU  63   7.154   0.099   4.106
  507   3HD2  LEU  63          3HD2      LEU  63   5.583  -0.702   4.345
  508    H    SER  64           H        SER  64   6.485  -2.197   7.776
  509    HA   SER  64           HA       SER  64   8.623  -0.380   7.650
  510   1HB   SER  64          1HB       SER  64   6.273  -0.086   8.632
  511   2HB   SER  64          2HB       SER  64   6.889  -0.917  10.081
  512    HG   SER  64           HG       SER  64   7.049   1.391  10.250
  513    H    LEU  65           H        LEU  65   8.010  -3.183   9.859
  514    HA   LEU  65           HA       LEU  65  10.518  -2.973  11.223
  515   1HB   LEU  65          1HB       LEU  65   8.549  -5.247  10.811
  516   2HB   LEU  65          2HB       LEU  65   9.983  -5.361  11.858
  517    HG   LEU  65           HG       LEU  65   8.087  -3.057  12.180
  518   1HD1  LEU  65          1HD1      LEU  65   6.633  -5.013  12.106
  519   2HD1  LEU  65          2HD1      LEU  65   7.621  -5.810  13.353
  520   3HD1  LEU  65          3HD1      LEU  65   6.704  -4.339  13.750
  521   1HD2  LEU  65          1HD2      LEU  65  10.185  -3.022  13.415
  522   2HD2  LEU  65          2HD2      LEU  65   8.801  -3.154  14.523
  523   3HD2  LEU  65          3HD2      LEU  65   9.786  -4.588  14.161
  524    H    ARG  66           H        ARG  66   9.642  -4.266   8.084
  525    HA   ARG  66           HA       ARG  66  12.041  -5.868   7.749
  526   1HB   ARG  66          1HB       ARG  66   9.541  -6.126   6.893
  527   2HB   ARG  66          2HB       ARG  66  10.159  -5.155   5.536
  528   1HG   ARG  66          1HG       ARG  66  11.779  -7.509   6.387
  529   2HG   ARG  66          2HG       ARG  66  10.235  -7.829   5.561
  530   1HD   ARG  66          1HD       ARG  66  11.576  -5.772   4.094
  531   2HD   ARG  66          2HD       ARG  66  12.760  -7.058   4.414
  532    HE   ARG  66           HE       ARG  66  10.212  -8.107   3.631
  533   1HH1  ARG  66          1HH1      ARG  66   9.927  -9.097   1.616
  534   2HH1  ARG  66          2HH1      ARG  66  11.092  -8.823   0.342
  535   1HH2  ARG  66          1HH2      ARG  66  13.136  -6.734   2.234
  536   2HH2  ARG  66          2HH2      ARG  66  12.889  -7.502   0.685
  537    H    VAL  67           H        VAL  67  10.706  -2.935   6.090
  538    HA   VAL  67           HA       VAL  67  13.322  -2.294   4.888
  539    HB   VAL  67           HB       VAL  67  10.587  -1.017   4.499
  540   1HG1  VAL  67          1HG1      VAL  67  12.485   0.395   3.767
  541   2HG1  VAL  67          2HG1      VAL  67  13.083  -0.940   2.754
  542   3HG1  VAL  67          3HG1      VAL  67  11.537  -0.157   2.369
  543   1HG2  VAL  67          1HG2      VAL  67  10.513  -3.375   3.784
  544   2HG2  VAL  67          2HG2      VAL  67  10.419  -2.289   2.381
  545   3HG2  VAL  67          3HG2      VAL  67  11.947  -3.110   2.765
  546    H    LYS  68           H        LYS  68  13.073  -2.134   7.711
  547    HA   LYS  68           HA       LYS  68  14.282   0.368   8.211
  548   1HB   LYS  68          1HB       LYS  68  11.566   0.729   8.188
  549   2HB   LYS  68          2HB       LYS  68  11.843   0.295   9.893
  550   1HG   LYS  68          1HG       LYS  68  13.938   2.029   9.321
  551   2HG   LYS  68          2HG       LYS  68  12.565   2.735   8.434
  552   1HD   LYS  68          1HD       LYS  68  11.416   3.247  10.361
  553   2HD   LYS  68          2HD       LYS  68  12.001   1.800  11.218
  554   1HE   LYS  68          1HE       LYS  68  14.177   2.785  11.570
  555   2HE   LYS  68          2HE       LYS  68  13.821   4.123  10.457
  556   1HZ   LYS  68          1HZ       LYS  68  12.451   3.598  12.979
  557   2HZ   LYS  68          2HZ       LYS  68  13.593   4.737  12.732
  558   3HZ   LYS  68          3HZ       LYS  68  12.158   4.852  11.961
  559    H    LYS  69           H        LYS  69  15.710  -1.295   8.802
  560    HA   LYS  69           HA       LYS  69  15.549  -3.259  10.700
  561   1HB   LYS  69          1HB       LYS  69  17.577  -1.517   9.500
  562   2HB   LYS  69          2HB       LYS  69  17.998  -1.964  11.170
  563   1HG   LYS  69          1HG       LYS  69  18.040  -4.265  10.680
  564   2HG   LYS  69          2HG       LYS  69  17.051  -4.069   9.214
  565   1HD   LYS  69          1HD       LYS  69  18.847  -3.273   7.948
  566   2HD   LYS  69          2HD       LYS  69  19.764  -2.765   9.386
  567   1HE   LYS  69          1HE       LYS  69  20.822  -4.743   9.470
  568   2HE   LYS  69          2HE       LYS  69  19.273  -5.613   9.500
  569   1HZ   LYS  69          1HZ       LYS  69  20.570  -4.627   7.061
  570   2HZ   LYS  69          2HZ       LYS  69  20.672  -6.151   7.628
  571   3HZ   LYS  69          3HZ       LYS  69  19.233  -5.581   7.162
  572    H    MET  70           H        MET  70  15.749  -3.454  12.920
  573    HA   MET  70           HA       MET  70  14.619  -1.295  14.435
  574   1HB   MET  70          1HB       MET  70  14.013  -3.625  14.824
  575   2HB   MET  70          2HB       MET  70  15.685  -3.997  15.305
  576   1HG   MET  70          1HG       MET  70  15.515  -2.792  17.304
  577   2HG   MET  70          2HG       MET  70  14.133  -1.842  16.733
  578   1HE   MET  70          1HE       MET  70  14.735  -3.678  19.533
  579   2HE   MET  70          2HE       MET  70  13.902  -5.251  19.524
  580   3HE   MET  70          3HE       MET  70  15.357  -5.010  18.530

  No H/Q in entry =         580
  Start of MODEL   16
    1    H1   ALA   1           H1       ALA   1 -12.642  15.782   0.903
    2    H2   ALA   1           H2       ALA   1 -12.962  17.157   1.737
    3    H3   ALA   1           H3       ALA   1 -12.905  17.183   0.101
    4    HA   ALA   1           HA       ALA   1 -10.917  18.131   0.976
    5   1HB   ALA   1          1HB       ALA   1  -9.419  16.692   2.330
    6   2HB   ALA   1          2HB       ALA   1 -10.635  15.394   2.298
    7   3HB   ALA   1          3HB       ALA   1 -10.987  16.923   3.140
    8    H    SER   2           H        SER   2 -10.115  18.303  -0.989
    9    HA   SER   2           HA       SER   2  -9.959  16.445  -3.038
   10   1HB   SER   2          1HB       SER   2  -9.215  19.114  -2.629
   11   2HB   SER   2          2HB       SER   2  -7.677  18.291  -2.984
   12    HG   SER   2           HG       SER   2  -8.838  19.006  -4.926
   13    H    ASN   3           H        ASN   3  -7.832  15.643  -4.024
   14    HA   ASN   3           HA       ASN   3  -5.588  14.908  -2.473
   15   1HB   ASN   3          1HB       ASN   3  -7.194  13.609  -1.129
   16   2HB   ASN   3          2HB       ASN   3  -7.841  12.853  -2.603
   17   2HD2  ASN   3          2HD2      ASN   3  -4.927  13.168  -0.577
   18   1HD2  ASN   3          1HD2      ASN   3  -4.220  11.634  -1.041
   19    H    TYR   4           H        TYR   4  -4.112  14.273  -3.912
   20    HA   TYR   4           HA       TYR   4  -4.496  14.124  -6.677
   21   1HB   TYR   4          1HB       TYR   4  -2.393  14.241  -5.028
   22   2HB   TYR   4          2HB       TYR   4  -2.371  12.495  -5.325
   23    HD1  TYR   4           HD1      TYR   4  -2.650  15.749  -7.189
   24    HD2  TYR   4           HD2      TYR   4  -1.135  11.685  -7.126
   25    HE1  TYR   4           HE1      TYR   4  -1.311  16.213  -9.249
   26    HE2  TYR   4           HE2      TYR   4   0.188  12.162  -9.197
   27    HH   TYR   4           HH       TYR   4   0.758  13.638 -10.705
   28    H    ASP   5           H        ASP   5  -3.573  11.946  -7.823
   29    HA   ASP   5           HA       ASP   5  -4.666   9.469  -6.818
   30   1HB   ASP   5          1HB       ASP   5  -6.736  10.534  -7.616
   31   2HB   ASP   5          2HB       ASP   5  -5.976  10.881  -9.184
   32    HD2  ASP   5           HD2      ASP   5  -7.822   7.922  -9.754
   33    H    CYS   6           H        CYS   6  -2.139   9.773  -7.175
   34    HA   CYS   6           HA       CYS   6  -0.930   9.782  -9.607
   35   1HB   CYS   6          1HB       CYS   6   0.648   8.016  -8.511
   36   2HB   CYS   6          2HB       CYS   6   0.568   9.705  -7.947
   37    H    CYS   7           H        CYS   7  -1.340   6.548  -8.051
   38    HA   CYS   7           HA       CYS   7  -1.314   5.010 -10.347
   39   1HB   CYS   7          1HB       CYS   7  -1.826   3.341  -8.969
   40   2HB   CYS   7          2HB       CYS   7  -1.565   4.575  -7.710
   41    H    LEU   8           H        LEU   8  -3.215   3.867 -11.403
   42    HA   LEU   8           HA       LEU   8  -4.779   5.468 -12.870
   43   1HB   LEU   8          1HB       LEU   8  -5.567   2.731 -11.806
   44   2HB   LEU   8          2HB       LEU   8  -6.338   3.553 -13.185
   45    HG   LEU   8           HG       LEU   8  -3.744   3.691 -13.956
   46   1HD1  LEU   8          1HD1      LEU   8  -4.010   1.065 -12.425
   47   2HD1  LEU   8          2HD1      LEU   8  -2.664   1.503 -13.502
   48   3HD1  LEU   8          3HD1      LEU   8  -2.927   2.412 -11.997
   49   1HD2  LEU   8          1HD2      LEU   8  -5.668   2.818 -15.255
   50   2HD2  LEU   8          2HD2      LEU   8  -4.262   1.734 -15.392
   51   3HD2  LEU   8          3HD2      LEU   8  -5.615   1.306 -14.317
   52    H    SER   9           H        SER   9  -5.874   4.037  -9.767
   53    HA   SER   9           HA       SER   9  -7.374   6.358  -9.086
   54   1HB   SER   9          1HB       SER   9  -8.827   4.370 -10.534
   55   2HB   SER   9          2HB       SER   9  -9.313   4.244  -8.826
   56    HG   SER   9           HG       SER   9 -10.451   5.931 -10.174
   57    H    TYR  10           H        TYR  10  -7.814   6.363  -6.872
   58    HA   TYR  10           HA       TYR  10  -6.326   5.111  -4.973
   59   1HB   TYR  10          1HB       TYR  10  -8.156   6.939  -4.807
   60   2HB   TYR  10          2HB       TYR  10  -9.309   5.603  -4.647
   61    HD1  TYR  10           HD1      TYR  10  -6.966   7.765  -2.967
   62    HD2  TYR  10           HD2      TYR  10  -9.081   3.997  -2.645
   63    HE1  TYR  10           HE1      TYR  10  -6.510   7.696  -0.496
   64    HE2  TYR  10           HE2      TYR  10  -8.505   3.869  -0.210
   65    HH   TYR  10           HH       TYR  10  -7.590   4.861   1.464
   66    H    ILE  11           H        ILE  11  -6.717   3.294  -3.475
   67    HA   ILE  11           HA       ILE  11  -7.434   0.884  -4.633
   68    HB   ILE  11           HB       ILE  11  -6.389   1.758  -2.253
   69   1HG1  ILE  11          1HG1      ILE  11  -5.360   0.148  -3.482
   70   2HG1  ILE  11          2HG1      ILE  11  -5.834  -0.660  -1.968
   71   1HG2  ILE  11          1HG2      ILE  11  -8.415   1.637  -0.995
   72   2HG2  ILE  11          2HG2      ILE  11  -8.628  -0.068  -1.460
   73   3HG2  ILE  11          3HG2      ILE  11  -7.274   0.410  -0.426
   74   1HD1  ILE  11          1HD1      ILE  11  -7.229  -0.939  -4.648
   75   2HD1  ILE  11          2HD1      ILE  11  -6.162  -2.151  -3.915
   76   3HD1  ILE  11          3HD1      ILE  11  -7.701  -1.749  -3.134
   77    H    GLN  12           H        GLN  12  -9.201   0.753  -5.719
   78    HA   GLN  12           HA       GLN  12 -11.724   1.528  -4.688
   79   1HB   GLN  12          1HB       GLN  12 -12.669   0.437  -6.639
   80   2HB   GLN  12          2HB       GLN  12 -11.232   1.388  -7.087
   81   1HG   GLN  12          1HG       GLN  12  -9.904  -0.544  -7.381
   82   2HG   GLN  12          2HG       GLN  12 -11.045  -1.571  -6.485
   83   2HE2  GLN  12          2HE2      GLN  12  -9.979  -0.654  -9.511
   84   1HE2  GLN  12          1HE2      GLN  12 -11.329  -1.222 -10.473
   85    H    THR  13           H        THR  13  -9.777  -0.987  -3.778
   86    HA   THR  13           HA       THR  13 -11.731  -2.336  -2.238
   87    HB   THR  13           HB       THR  13 -10.952  -3.511  -4.814
   88    HG1  THR  13           HG1      THR  13 -13.131  -4.326  -4.415
   89   1HG2  THR  13          1HG2      THR  13 -11.290  -5.323  -2.399
   90   2HG2  THR  13          2HG2      THR  13 -11.293  -5.857  -4.090
   91   3HG2  THR  13          3HG2      THR  13  -9.818  -5.168  -3.388
   92    HA   PRO  14           HA       PRO  14  -7.793  -2.326  -0.152
   93   1HB   PRO  14          1HB       PRO  14  -9.111  -2.213   2.360
   94   2HB   PRO  14          2HB       PRO  14  -8.398  -0.855   1.429
   95   1HG   PRO  14          1HG       PRO  14 -11.203  -1.478   1.890
   96   2HG   PRO  14          2HG       PRO  14 -10.477   0.034   1.253
   97   1HD   PRO  14          1HD       PRO  14 -11.840  -2.056  -0.194
   98   2HD   PRO  14          2HD       PRO  14 -11.000  -0.631  -0.874
   99    H    LEU  15           H        LEU  15  -6.978  -4.410  -0.313
  100    HA   LEU  15           HA       LEU  15  -8.567  -6.529   0.990
  101   1HB   LEU  15          1HB       LEU  15  -7.362  -8.074  -0.425
  102   2HB   LEU  15          2HB       LEU  15  -8.179  -6.811  -1.378
  103    HG   LEU  15           HG       LEU  15  -5.846  -5.652  -1.411
  104   1HD1  LEU  15          1HD1      LEU  15  -5.075  -8.550  -0.857
  105   2HD1  LEU  15          2HD1      LEU  15  -3.964  -7.267  -1.388
  106   3HD1  LEU  15          3HD1      LEU  15  -4.733  -7.168   0.212
  107   1HD2  LEU  15          1HD2      LEU  15  -7.049  -6.717  -3.332
  108   2HD2  LEU  15          2HD2      LEU  15  -5.298  -7.033  -3.415
  109   3HD2  LEU  15          3HD2      LEU  15  -6.405  -8.304  -2.844
  110    HA   PRO  16           HA       PRO  16  -5.526  -6.820   4.173
  111   1HB   PRO  16          1HB       PRO  16  -5.587  -9.470   4.911
  112   2HB   PRO  16          2HB       PRO  16  -6.911  -8.309   5.251
  113   1HG   PRO  16          1HG       PRO  16  -6.749 -10.377   3.088
  114   2HG   PRO  16          2HG       PRO  16  -8.160  -9.927   4.101
  115   1HD   PRO  16          1HD       PRO  16  -7.721  -9.029   1.488
  116   2HD   PRO  16          2HD       PRO  16  -8.667  -8.119   2.704
  117    H    SER  17           H        SER  17  -3.357  -7.789   4.795
  118    HA   SER  17           HA       SER  17  -1.614  -8.012   2.640
  119   1HB   SER  17          1HB       SER  17   0.061  -8.780   4.307
  120   2HB   SER  17          2HB       SER  17  -0.797  -7.295   4.781
  121    HG   SER  17           HG       SER  17  -0.596  -8.985   6.456
  122    H    ARG  18           H        ARG  18  -3.698 -10.365   3.875
  123    HA   ARG  18           HA       ARG  18  -2.329 -12.799   3.331
  124   1HB   ARG  18          1HB       ARG  18  -5.253 -12.006   3.446
  125   2HB   ARG  18          2HB       ARG  18  -4.690 -13.681   3.236
  126   1HG   ARG  18          1HG       ARG  18  -3.335 -12.454   5.484
  127   2HG   ARG  18          2HG       ARG  18  -5.099 -12.298   5.667
  128   1HD   ARG  18          1HD       ARG  18  -5.019 -14.843   4.809
  129   2HD   ARG  18          2HD       ARG  18  -3.398 -14.766   5.531
  130    HE   ARG  18           HE       ARG  18  -5.069 -13.586   7.384
  131   1HH1  ARG  18          1HH1      ARG  18  -6.048 -14.648   9.138
  132   2HH1  ARG  18          2HH1      ARG  18  -6.321 -16.374   9.073
  133   1HH2  ARG  18          1HH2      ARG  18  -4.937 -16.775   5.889
  134   2HH2  ARG  18          2HH2      ARG  18  -5.698 -17.573   7.245
  135    H    ALA  19           H        ALA  19  -3.592 -10.330   1.236
  136    HA   ALA  19           HA       ALA  19  -3.396 -12.217  -1.030
  137   1HB   ALA  19          1HB       ALA  19  -5.142 -10.897  -2.161
  138   2HB   ALA  19          2HB       ALA  19  -5.751 -11.616  -0.649
  139   3HB   ALA  19          3HB       ALA  19  -5.330  -9.887  -0.704
  140    H    ILE  20           H        ILE  20  -1.388 -10.319   0.439
  141    HA   ILE  20           HA       ILE  20  -0.694  -8.682  -1.932
  142    HB   ILE  20           HB       ILE  20  -0.440  -8.220   1.033
  143   1HG1  ILE  20          1HG1      ILE  20  -1.022  -6.059  -0.892
  144   2HG1  ILE  20          2HG1      ILE  20  -2.205  -7.390  -0.872
  145   1HG2  ILE  20          1HG2      ILE  20   1.833  -7.877   0.151
  146   2HG2  ILE  20          2HG2      ILE  20   1.188  -6.790  -1.103
  147   3HG2  ILE  20          3HG2      ILE  20   1.094  -6.327   0.610
  148   1HD1  ILE  20          1HD1      ILE  20  -1.358  -5.724   1.528
  149   2HD1  ILE  20          2HD1      ILE  20  -2.894  -5.560   0.654
  150   3HD1  ILE  20          3HD1      ILE  20  -2.542  -7.053   1.548
  151    H    VAL  21           H        VAL  21   0.825  -9.624  -3.075
  152    HA   VAL  21           HA       VAL  21   2.646 -11.530  -1.852
  153    HB   VAL  21           HB       VAL  21   1.440 -11.296  -4.309
  154   1HG1  VAL  21          1HG1      VAL  21   3.148  -9.843  -5.280
  155   2HG1  VAL  21          2HG1      VAL  21   4.413 -10.998  -4.797
  156   3HG1  VAL  21          3HG1      VAL  21   3.213 -11.451  -6.019
  157   1HG2  VAL  21          1HG2      VAL  21   2.073 -13.285  -2.996
  158   2HG2  VAL  21          2HG2      VAL  21   2.641 -13.431  -4.676
  159   3HG2  VAL  21          3HG2      VAL  21   3.786 -13.003  -3.383
  160    H    GLY  22           H        GLY  22   2.916  -8.360  -3.498
  161   1HA   GLY  22          1HA       GLY  22   5.490  -7.832  -3.743
  162   2HA   GLY  22          2HA       GLY  22   5.357  -7.751  -1.971
  163    H    PHE  23           H        PHE  23   5.489  -5.586  -1.564
  164    HA   PHE  23           HA       PHE  23   3.940  -3.733  -3.193
  165   1HB   PHE  23          1HB       PHE  23   2.946  -2.724  -1.216
  166   2HB   PHE  23          2HB       PHE  23   2.416  -4.399  -1.444
  167    HD1  PHE  23           HD1      PHE  23   3.670  -6.244  -0.062
  168    HD2  PHE  23           HD2      PHE  23   3.721  -1.990   0.794
  169    HE1  PHE  23           HE1      PHE  23   4.453  -6.745   2.263
  170    HE2  PHE  23           HE2      PHE  23   4.420  -2.506   3.151
  171    HZ   PHE  23           HZ       PHE  23   4.850  -4.858   3.816
  172    H    THR  24           H        THR  24   4.324  -1.481  -2.564
  173    HA   THR  24           HA       THR  24   6.928  -1.008  -1.242
  174    HB   THR  24           HB       THR  24   6.332   0.293  -3.891
  175    HG1  THR  24           HG1      THR  24   7.533  -1.600  -4.857
  176   1HG2  THR  24          1HG2      THR  24   8.874  -0.691  -2.535
  177   2HG2  THR  24          2HG2      THR  24   8.799   0.208  -4.067
  178   3HG2  THR  24          3HG2      THR  24   8.290   0.991  -2.554
  179    H    ARG  25           H        ARG  25   7.333   1.450  -1.258
  180    HA   ARG  25           HA       ARG  25   4.936   2.710  -0.080
  181   1HB   ARG  25          1HB       ARG  25   7.932   3.191   0.195
  182   2HB   ARG  25          2HB       ARG  25   6.692   4.248   0.912
  183   1HG   ARG  25          1HG       ARG  25   6.034   1.537   1.584
  184   2HG   ARG  25          2HG       ARG  25   7.759   1.783   1.944
  185   1HD   ARG  25          1HD       ARG  25   6.294   2.325   3.876
  186   2HD   ARG  25          2HD       ARG  25   7.239   3.723   3.320
  187    HE   ARG  25           HE       ARG  25   4.707   3.671   2.035
  188   1HH1  ARG  25          1HH1      ARG  25   3.115   5.203   2.597
  189   2HH1  ARG  25          2HH1      ARG  25   3.195   6.015   4.144
  190   1HH2  ARG  25          1HH2      ARG  25   6.113   4.393   5.180
  191   2HH2  ARG  25          2HH2      ARG  25   4.883   5.560   5.597
  192    H    GLN  26           H        GLN  26   3.981   4.431  -1.033
  193    HA   GLN  26           HA       GLN  26   5.456   5.724  -3.263
  194   1HB   GLN  26          1HB       GLN  26   3.249   4.432  -3.677
  195   2HB   GLN  26          2HB       GLN  26   2.474   5.815  -2.866
  196   1HG   GLN  26          1HG       GLN  26   3.298   7.340  -4.562
  197   2HG   GLN  26          2HG       GLN  26   4.261   6.050  -5.315
  198   2HE2  GLN  26          2HE2      GLN  26   0.921   6.354  -4.076
  199   1HE2  GLN  26          1HE2      GLN  26   0.126   5.727  -5.506
  200    H    MET  27           H        MET  27   6.479   7.218  -2.079
  201    HA   MET  27           HA       MET  27   5.369   8.887  -0.083
  202   1HB   MET  27          1HB       MET  27   7.601   9.716  -1.945
  203   2HB   MET  27          2HB       MET  27   7.350  10.155  -0.238
  204   1HG   MET  27          1HG       MET  27   8.949   8.607   0.166
  205   2HG   MET  27          2HG       MET  27   7.640   7.433  -0.056
  206   1HE   MET  27          1HE       MET  27  10.523   6.411  -0.455
  207   2HE   MET  27          2HE       MET  27   9.086   5.435  -0.848
  208   3HE   MET  27          3HE       MET  27  10.426   5.556  -2.013
  209    H    ALA  28           H        ALA  28   4.852  11.158  -0.213
  210    HA   ALA  28           HA       ALA  28   3.410  11.887  -2.669
  211   1HB   ALA  28          1HB       ALA  28   3.494  13.121   0.125
  212   2HB   ALA  28          2HB       ALA  28   2.240  12.010  -0.477
  213   3HB   ALA  28          3HB       ALA  28   2.417  13.627  -1.199
  214    H    ASP  29           H        ASP  29   4.830  12.747  -4.101
  215    HA   ASP  29           HA       ASP  29   5.864  15.276  -3.860
  216   1HB   ASP  29          1HB       ASP  29   7.627  13.405  -2.558
  217   2HB   ASP  29          2HB       ASP  29   8.417  14.025  -4.023
  218    HD2  ASP  29           HD2      ASP  29   9.144  16.941  -2.450
  219    H    GLU  30           H        GLU  30   7.065  12.128  -5.089
  220    HA   GLU  30           HA       GLU  30   7.990  13.080  -7.577
  221   1HB   GLU  30          1HB       GLU  30   8.367  10.880  -6.118
  222   2HB   GLU  30          2HB       GLU  30   7.104  10.235  -7.196
  223   1HG   GLU  30          1HG       GLU  30   8.443  10.350  -9.058
  224   2HG   GLU  30          2HG       GLU  30   9.268  11.823  -8.503
  225    H    ALA  31           H        ALA  31   6.578  10.875  -9.222
  226    HA   ALA  31           HA       ALA  31   4.630  12.310 -10.555
  227   1HB   ALA  31          1HB       ALA  31   3.916  10.105 -11.421
  228   2HB   ALA  31          2HB       ALA  31   5.690  10.223 -11.349
  229   3HB   ALA  31          3HB       ALA  31   4.809   9.301 -10.108
  230    H    CYS  32           H        CYS  32   4.373  10.807  -7.441
  231    HA   CYS  32           HA       CYS  32   1.438  11.133  -7.385
  232   1HB   CYS  32          1HB       CYS  32   2.523   8.878  -6.712
  233   2HB   CYS  32          2HB       CYS  32   3.141   9.751  -5.287
  234    H    ASP  33           H        ASP  33   0.594  12.628  -6.065
  235    HA   ASP  33           HA       ASP  33   2.448  14.365  -4.536
  236   1HB   ASP  33          1HB       ASP  33   0.993  15.363  -6.300
  237   2HB   ASP  33          2HB       ASP  33  -0.429  14.828  -5.378
  238    HD2  ASP  33           HD2      ASP  33   1.559  18.027  -4.214
  239    H    ILE  34           H        ILE  34   0.529  11.691  -4.025
  240    HA   ILE  34           HA       ILE  34  -0.069  12.447  -1.248
  241    HB   ILE  34           HB       ILE  34  -2.081  11.007  -1.331
  242   1HG1  ILE  34          1HG1      ILE  34  -1.796  11.115  -4.324
  243   2HG1  ILE  34          2HG1      ILE  34  -1.288   9.721  -3.342
  244   1HG2  ILE  34          1HG2      ILE  34  -2.109  13.461  -1.454
  245   2HG2  ILE  34          2HG2      ILE  34  -1.955  13.386  -3.225
  246   3HG2  ILE  34          3HG2      ILE  34  -3.420  12.751  -2.432
  247   1HD1  ILE  34          1HD1      ILE  34  -4.112  10.789  -3.587
  248   2HD1  ILE  34          2HD1      ILE  34  -3.496   9.326  -4.377
  249   3HD1  ILE  34          3HD1      ILE  34  -3.603   9.392  -2.607
  250    H    ASN  35           H        ASN  35  -0.431  10.390   0.082
  251    HA   ASN  35           HA       ASN  35   1.818   8.586  -0.541
  252   1HB   ASN  35          1HB       ASN  35   0.373   9.419   1.968
  253   2HB   ASN  35          2HB       ASN  35   1.245   7.871   1.913
  254   2HD2  ASN  35          2HD2      ASN  35   2.902   8.352   3.273
  255   1HD2  ASN  35          1HD2      ASN  35   4.096   9.602   2.974
  256    H    ALA  36           H        ALA  36   1.419   6.597  -1.266
  257    HA   ALA  36           HA       ALA  36  -1.049   5.266  -0.460
  258   1HB   ALA  36          1HB       ALA  36  -1.688   4.585  -2.737
  259   2HB   ALA  36          2HB       ALA  36  -0.390   5.601  -3.403
  260   3HB   ALA  36          3HB       ALA  36  -1.754   6.351  -2.540
  261    H    ILE  37           H        ILE  37  -0.933   2.980  -0.514
  262    HA   ILE  37           HA       ILE  37   1.814   2.057  -0.701
  263    HB   ILE  37           HB       ILE  37  -0.648   0.569   0.209
  264   1HG1  ILE  37          1HG1      ILE  37  -0.459   2.437   1.619
  265   2HG1  ILE  37          2HG1      ILE  37   0.262   1.066   2.497
  266   1HG2  ILE  37          1HG2      ILE  37   1.207  -0.903  -0.443
  267   2HG2  ILE  37          2HG2      ILE  37   2.309  -0.007   0.630
  268   3HG2  ILE  37          3HG2      ILE  37   0.961  -0.941   1.318
  269   1HD1  ILE  37          1HD1      ILE  37   1.793   3.283   1.091
  270   2HD1  ILE  37          2HD1      ILE  37   1.577   3.138   2.846
  271   3HD1  ILE  37          3HD1      ILE  37   2.514   1.913   1.971
  272    H    ILE  38           H        ILE  38   2.630   1.283  -2.363
  273    HA   ILE  38           HA       ILE  38   1.047   0.546  -4.696
  274    HB   ILE  38           HB       ILE  38   4.035   0.812  -4.224
  275   1HG1  ILE  38          1HG1      ILE  38   2.191   2.488  -5.964
  276   2HG1  ILE  38          2HG1      ILE  38   2.603   2.923  -4.289
  277   1HG2  ILE  38          1HG2      ILE  38   3.523  -0.862  -5.990
  278   2HG2  ILE  38          2HG2      ILE  38   2.474   0.323  -6.804
  279   3HG2  ILE  38          3HG2      ILE  38   4.226   0.611  -6.696
  280   1HD1  ILE  38          1HD1      ILE  38   4.594   2.528  -6.566
  281   2HD1  ILE  38          2HD1      ILE  38   4.080   4.095  -5.904
  282   3HD1  ILE  38          3HD1      ILE  38   5.006   2.966  -4.891
  283    H    PHE  39           H        PHE  39   0.014  -1.228  -3.638
  284    HA   PHE  39           HA       PHE  39   1.497  -3.620  -2.891
  285   1HB   PHE  39          1HB       PHE  39  -1.455  -3.108  -3.325
  286   2HB   PHE  39          2HB       PHE  39  -0.777  -4.687  -2.891
  287    HD1  PHE  39           HD1      PHE  39   0.867  -4.659  -0.897
  288    HD2  PHE  39           HD2      PHE  39  -2.237  -1.731  -1.492
  289    HE1  PHE  39           HE1      PHE  39   0.806  -4.272   1.556
  290    HE2  PHE  39           HE2      PHE  39  -2.365  -1.393   0.982
  291    HZ   PHE  39           HZ       PHE  39  -0.900  -2.703   2.497
  292    H    HIS  40           H        HIS  40   1.307  -5.637  -3.994
  293    HA   HIS  40           HA       HIS  40   0.525  -5.679  -6.848
  294   1HB   HIS  40          1HB       HIS  40   3.221  -6.669  -5.860
  295   2HB   HIS  40          2HB       HIS  40   2.667  -6.486  -7.534
  296    HD1  HIS  40           HD1      HIS  40   2.259  -3.780  -8.152
  297    HD2  HIS  40           HD2      HIS  40   4.634  -4.708  -4.923
  298    HE1  HIS  40           HE1      HIS  40   3.896  -1.836  -7.889
  299    HE2  HIS  40           HE2      HIS  40   4.997  -2.289  -5.625
  300    H    THR  41           H        THR  41  -1.123  -6.820  -5.550
  301    HA   THR  41           HA       THR  41  -0.727  -9.224  -4.110
  302    HB   THR  41           HB       THR  41  -3.113  -9.508  -4.593
  303    HG1  THR  41           HG1      THR  41  -3.993  -7.856  -6.176
  304   1HG2  THR  41          1HG2      THR  41  -2.480  -6.541  -4.299
  305   2HG2  THR  41          2HG2      THR  41  -4.040  -7.308  -3.923
  306   3HG2  THR  41          3HG2      THR  41  -2.598  -7.717  -2.967
  307    H    LYS  42           H        LYS  42  -1.833 -11.344  -5.107
  308    HA   LYS  42           HA       LYS  42  -0.150 -11.964  -7.444
  309   1HB   LYS  42          1HB       LYS  42  -0.652 -13.324  -5.059
  310   2HB   LYS  42          2HB       LYS  42  -1.571 -14.231  -6.285
  311   1HG   LYS  42          1HG       LYS  42   0.385 -14.511  -7.655
  312   2HG   LYS  42          2HG       LYS  42   1.319 -13.371  -6.658
  313   1HD   LYS  42          1HD       LYS  42   1.113 -14.932  -4.729
  314   2HD   LYS  42          2HD       LYS  42   0.256 -16.084  -5.782
  315   1HE   LYS  42          1HE       LYS  42   2.210 -16.362  -7.183
  316   2HE   LYS  42          2HE       LYS  42   3.059 -15.044  -6.347
  317   1HZ   LYS  42          1HZ       LYS  42   2.165 -17.531  -5.082
  318   2HZ   LYS  42          2HZ       LYS  42   3.688 -17.236  -5.574
  319   3HZ   LYS  42          3HZ       LYS  42   3.042 -16.351  -4.372
  320    H    LYS  43           H        LYS  43  -3.247 -10.928  -6.915
  321    HA   LYS  43           HA       LYS  43  -4.140 -11.908  -9.529
  322   1HB   LYS  43          1HB       LYS  43  -4.974 -13.282  -7.401
  323   2HB   LYS  43          2HB       LYS  43  -6.138 -11.939  -7.302
  324   1HG   LYS  43          1HG       LYS  43  -5.730 -13.421  -9.894
  325   2HG   LYS  43          2HG       LYS  43  -6.756 -14.113  -8.613
  326   1HD   LYS  43          1HD       LYS  43  -8.406 -13.043  -9.685
  327   2HD   LYS  43          2HD       LYS  43  -7.805 -11.616  -8.810
  328   1HE   LYS  43          1HE       LYS  43  -6.447 -10.974 -10.787
  329   2HE   LYS  43          2HE       LYS  43  -7.042 -12.402 -11.661
  330   1HZ   LYS  43          1HZ       LYS  43  -9.240 -11.543 -11.408
  331   2HZ   LYS  43          2HZ       LYS  43  -8.691 -10.215 -10.607
  332   3HZ   LYS  43          3HZ       LYS  43  -8.304 -10.456 -12.174
  333    H    ARG  44           H        ARG  44  -3.060  -9.362  -8.679
  334    HA   ARG  44           HA       ARG  44  -5.007  -7.668  -9.904
  335   1HB   ARG  44          1HB       ARG  44  -5.375  -7.939  -7.143
  336   2HB   ARG  44          2HB       ARG  44  -4.360  -6.485  -7.298
  337   1HG   ARG  44          1HG       ARG  44  -6.053  -5.602  -8.944
  338   2HG   ARG  44          2HG       ARG  44  -7.096  -6.972  -8.495
  339   1HD   ARG  44          1HD       ARG  44  -7.316  -6.228  -6.260
  340   2HD   ARG  44          2HD       ARG  44  -5.867  -5.205  -6.358
  341    HE   ARG  44           HE       ARG  44  -7.067  -3.601  -7.548
  342   1HH1  ARG  44          1HH1      ARG  44  -8.944  -2.603  -8.306
  343   2HH1  ARG  44          2HH1      ARG  44 -10.444  -3.497  -8.386
  344   1HH2  ARG  44          1HH2      ARG  44  -9.105  -6.450  -7.106
  345   2HH2  ARG  44          2HH2      ARG  44 -10.539  -5.660  -7.712
  346    H    LYS  45           H        LYS  45  -3.928  -6.189 -10.890
  347    HA   LYS  45           HA       LYS  45  -1.088  -6.064 -10.901
  348   1HB   LYS  45          1HB       LYS  45  -3.144  -4.105 -11.947
  349   2HB   LYS  45          2HB       LYS  45  -1.415  -4.131 -12.366
  350   1HG   LYS  45          1HG       LYS  45  -2.253  -5.229 -14.189
  351   2HG   LYS  45          2HG       LYS  45  -2.017  -6.624 -13.109
  352   1HD   LYS  45          1HD       LYS  45  -4.273  -6.931 -12.787
  353   2HD   LYS  45          2HD       LYS  45  -4.631  -5.191 -12.885
  354   1HE   LYS  45          1HE       LYS  45  -4.087  -5.367 -15.387
  355   2HE   LYS  45          2HE       LYS  45  -4.121  -7.130 -15.169
  356   1HZ   LYS  45          1HZ       LYS  45  -6.307  -5.304 -14.462
  357   2HZ   LYS  45          2HZ       LYS  45  -6.230  -6.202 -15.815
  358   3HZ   LYS  45          3HZ       LYS  45  -6.329  -6.940 -14.369
  359    H    SER  46           H        SER  46  -0.203  -3.510 -10.791
  360    HA   SER  46           HA       SER  46   0.374  -2.941  -8.202
  361   1HB   SER  46          1HB       SER  46   0.082  -0.433  -9.515
  362   2HB   SER  46          2HB       SER  46   1.570  -1.374  -9.247
  363    HG   SER  46           HG       SER  46   1.140  -0.857 -11.501
  364    H    VAL  47           H        VAL  47  -0.709  -2.396  -6.500
  365    HA   VAL  47           HA       VAL  47  -3.404  -1.149  -6.769
  366    HB   VAL  47           HB       VAL  47  -2.195  -3.264  -5.089
  367   1HG1  VAL  47          1HG1      VAL  47  -2.803  -1.716  -3.319
  368   2HG1  VAL  47          2HG1      VAL  47  -4.453  -1.599  -3.976
  369   3HG1  VAL  47          3HG1      VAL  47  -3.873  -3.129  -3.298
  370   1HG2  VAL  47          1HG2      VAL  47  -3.695  -3.773  -6.955
  371   2HG2  VAL  47          2HG2      VAL  47  -4.412  -4.301  -5.417
  372   3HG2  VAL  47          3HG2      VAL  47  -4.983  -2.810  -6.197
  373    H    CYS  48           H        CYS  48  -3.720   0.833  -5.818
  374    HA   CYS  48           HA       CYS  48  -1.485   1.790  -4.103
  375   1HB   CYS  48          1HB       CYS  48  -1.502   3.876  -4.980
  376   2HB   CYS  48          2HB       CYS  48  -1.810   2.878  -6.422
  377    H    ALA  49           H        ALA  49  -2.075   1.961  -2.058
  378    HA   ALA  49           HA       ALA  49  -4.845   2.895  -1.489
  379   1HB   ALA  49          1HB       ALA  49  -4.577   0.454  -1.157
  380   2HB   ALA  49          2HB       ALA  49  -4.826   1.294   0.393
  381   3HB   ALA  49          3HB       ALA  49  -3.195   0.756  -0.077
  382    H    ASP  50           H        ASP  50  -4.873   4.751  -0.290
  383    HA   ASP  50           HA       ASP  50  -2.555   5.966   0.702
  384   1HB   ASP  50          1HB       ASP  50  -5.247   6.606   0.524
  385   2HB   ASP  50          2HB       ASP  50  -4.934   6.585   2.272
  386    HD2  ASP  50           HD2      ASP  50  -3.420   9.621   2.145
  387    HA   PRO  51           HA       PRO  51  -1.798   3.585   4.364
  388   1HB   PRO  51          1HB       PRO  51   0.347   4.960   5.355
  389   2HB   PRO  51          2HB       PRO  51   0.414   3.901   3.909
  390   1HG   PRO  51          1HG       PRO  51   0.174   6.893   4.019
  391   2HG   PRO  51          2HG       PRO  51   1.193   5.896   2.930
  392   1HD   PRO  51          1HD       PRO  51  -1.260   6.980   2.229
  393   2HD   PRO  51          2HD       PRO  51  -0.604   5.475   1.516
  394    H    LYS  52           H        LYS  52  -4.029   4.875   4.561
  395    HA   LYS  52           HA       LYS  52  -3.886   6.401   7.111
  396   1HB   LYS  52          1HB       LYS  52  -6.162   6.243   5.106
  397   2HB   LYS  52          2HB       LYS  52  -6.065   7.301   6.534
  398   1HG   LYS  52          1HG       LYS  52  -4.323   7.416   4.060
  399   2HG   LYS  52          2HG       LYS  52  -5.609   8.560   4.517
  400   1HD   LYS  52          1HD       LYS  52  -3.790   8.531   6.682
  401   2HD   LYS  52          2HD       LYS  52  -2.805   8.598   5.201
  402   1HE   LYS  52          1HE       LYS  52  -4.492  10.380   4.370
  403   2HE   LYS  52          2HE       LYS  52  -5.056  10.462   6.053
  404   1HZ   LYS  52          1HZ       LYS  52  -2.782  10.957   6.682
  405   2HZ   LYS  52          2HZ       LYS  52  -2.345  10.941   5.096
  406   3HZ   LYS  52          3HZ       LYS  52  -3.394  12.061   5.646
  407    H    GLN  53           H        GLN  53  -5.251   3.599   5.435
  408    HA   GLN  53           HA       GLN  53  -7.013   2.894   7.637
  409   1HB   GLN  53          1HB       GLN  53  -6.240   1.232   5.239
  410   2HB   GLN  53          2HB       GLN  53  -7.733   1.168   6.206
  411   1HG   GLN  53          1HG       GLN  53  -7.902   3.694   5.284
  412   2HG   GLN  53          2HG       GLN  53  -6.973   2.958   3.960
  413   2HE2  GLN  53          2HE2      GLN  53  -8.598   3.178   2.465
  414   1HE2  GLN  53          1HE2      GLN  53 -10.060   2.215   2.501
  415    H    ASN  54           H        ASN  54  -6.852   0.839   8.692
  416    HA   ASN  54           HA       ASN  54  -4.247   0.328   9.743
  417   1HB   ASN  54          1HB       ASN  54  -5.422  -1.388  11.094
  418   2HB   ASN  54          2HB       ASN  54  -6.198   0.208  11.188
  419   2HD2  ASN  54          2HD2      ASN  54  -6.824  -3.019  10.905
  420   1HD2  ASN  54          1HD2      ASN  54  -8.299  -3.010   9.956
  421    H    TRP  55           H        TRP  55  -6.539  -1.651   7.730
  422    HA   TRP  55           HA       TRP  55  -5.071  -3.895   7.381
  423   1HB   TRP  55          1HB       TRP  55  -6.296  -4.310   5.415
  424   2HB   TRP  55          2HB       TRP  55  -7.345  -3.303   6.424
  425    HD1  TRP  55           HD1      TRP  55  -8.040  -0.961   5.444
  426    HE1  TRP  55           HE1      TRP  55  -7.601   0.318   3.294
  427    HE3  TRP  55           HE3      TRP  55  -4.717  -4.155   3.411
  428    HZ2  TRP  55           HZ2      TRP  55  -6.225  -0.133   0.867
  429    HZ3  TRP  55           HZ3      TRP  55  -4.058  -3.847   1.030
  430    HH2  TRP  55           HH2      TRP  55  -4.840  -1.887  -0.255
  431    H    VAL  56           H        VAL  56  -4.647  -0.881   5.548
  432    HA   VAL  56           HA       VAL  56  -2.434  -1.670   3.975
  433    HB   VAL  56           HB       VAL  56  -3.956   0.772   4.564
  434   1HG1  VAL  56          1HG1      VAL  56  -1.053   0.995   3.651
  435   2HG1  VAL  56          2HG1      VAL  56  -2.232   2.320   3.632
  436   3HG1  VAL  56          3HG1      VAL  56  -1.694   1.642   5.180
  437   1HG2  VAL  56          1HG2      VAL  56  -3.987  -0.566   2.444
  438   2HG2  VAL  56          2HG2      VAL  56  -3.453   1.102   2.142
  439   3HG2  VAL  56          3HG2      VAL  56  -2.257  -0.211   2.221
  440    H    LYS  57           H        LYS  57  -2.627   0.298   7.012
  441    HA   LYS  57           HA       LYS  57   0.107   0.632   7.366
  442   1HB   LYS  57          1HB       LYS  57  -0.375   1.559   9.346
  443   2HB   LYS  57          2HB       LYS  57  -2.040   1.493   8.721
  444   1HG   LYS  57          1HG       LYS  57  -2.516  -0.486  10.014
  445   2HG   LYS  57          2HG       LYS  57  -0.813  -0.631  10.510
  446   1HD   LYS  57          1HD       LYS  57  -0.973   1.290  11.927
  447   2HD   LYS  57          2HD       LYS  57  -2.562   1.733  11.257
  448   1HE   LYS  57          1HE       LYS  57  -3.559  -0.327  12.147
  449   2HE   LYS  57          2HE       LYS  57  -1.971  -0.894  12.705
  450   1HZ   LYS  57          1HZ       LYS  57  -3.240   1.583  13.597
  451   2HZ   LYS  57          2HZ       LYS  57  -3.291   0.176  14.416
  452   3HZ   LYS  57          3HZ       LYS  57  -1.858   0.912  14.175
  453    H    ARG  58           H        ARG  58  -1.920  -2.212   8.071
  454    HA   ARG  58           HA       ARG  58  -0.130  -3.704   9.609
  455   1HB   ARG  58          1HB       ARG  58  -2.696  -4.002   8.520
  456   2HB   ARG  58          2HB       ARG  58  -1.744  -5.333   7.817
  457   1HG   ARG  58          1HG       ARG  58  -1.646  -6.408   9.805
  458   2HG   ARG  58          2HG       ARG  58  -1.076  -4.937  10.631
  459   1HD   ARG  58          1HD       ARG  58  -3.120  -5.119  11.681
  460   2HD   ARG  58          2HD       ARG  58  -3.660  -4.233  10.239
  461    HE   ARG  58           HE       ARG  58  -4.712  -6.134   9.460
  462   1HH1  ARG  58          1HH1      ARG  58  -5.604  -8.227   9.690
  463   2HH1  ARG  58          2HH1      ARG  58  -4.999  -9.305  10.925
  464   1HH2  ARG  58          1HH2      ARG  58  -2.650  -7.055  12.177
  465   2HH2  ARG  58          2HH2      ARG  58  -3.344  -8.652  12.319
  466    H    ALA  59           H        ALA  59  -0.805  -3.977   6.051
  467    HA   ALA  59           HA       ALA  59   1.313  -5.775   5.520
  468   1HB   ALA  59          1HB       ALA  59  -0.051  -3.706   3.773
  469   2HB   ALA  59          2HB       ALA  59   0.915  -5.090   3.203
  470   3HB   ALA  59          3HB       ALA  59  -0.616  -5.367   4.073
  471    H    VAL  60           H        VAL  60   1.176  -2.193   5.512
  472    HA   VAL  60           HA       VAL  60   3.879  -1.772   4.731
  473    HB   VAL  60           HB       VAL  60   1.988  -0.005   6.299
  474   1HG1  VAL  60          1HG1      VAL  60   4.304   0.817   6.532
  475   2HG1  VAL  60          2HG1      VAL  60   4.494   0.779   4.762
  476   3HG1  VAL  60          3HG1      VAL  60   3.352   1.912   5.510
  477   1HG2  VAL  60          1HG2      VAL  60   1.166  -0.706   4.075
  478   2HG2  VAL  60          2HG2      VAL  60   1.572   1.026   4.083
  479   3HG2  VAL  60          3HG2      VAL  60   2.684  -0.142   3.336
  480    H    ASN  61           H        ASN  61   2.322  -2.217   7.951
  481    HA   ASN  61           HA       ASN  61   4.356  -1.563   9.645
  482   1HB   ASN  61          1HB       ASN  61   2.020  -2.379  10.189
  483   2HB   ASN  61          2HB       ASN  61   2.607  -4.035   9.916
  484   2HD2  ASN  61          2HD2      ASN  61   2.055  -1.660  12.151
  485   1HD2  ASN  61          1HD2      ASN  61   3.084  -2.215  13.448
  486    H    LEU  62           H        LEU  62   3.757  -4.913   8.456
  487    HA   LEU  62           HA       LEU  62   6.112  -6.069   9.322
  488   1HB   LEU  62          1HB       LEU  62   4.194  -6.600   7.091
  489   2HB   LEU  62          2HB       LEU  62   5.674  -7.580   7.231
  490    HG   LEU  62           HG       LEU  62   3.514  -8.450   8.256
  491   1HD1  LEU  62          1HD1      LEU  62   5.688  -9.465   8.591
  492   2HD1  LEU  62          2HD1      LEU  62   6.004  -8.378   9.965
  493   3HD1  LEU  62          3HD1      LEU  62   4.709  -9.590  10.067
  494   1HD2  LEU  62          1HD2      LEU  62   2.710  -6.512   9.450
  495   2HD2  LEU  62          2HD2      LEU  62   2.943  -7.869  10.567
  496   3HD2  LEU  62          3HD2      LEU  62   4.134  -6.557  10.518
  497    H    LEU  63           H        LEU  63   5.549  -4.250   6.298
  498    HA   LEU  63           HA       LEU  63   8.183  -4.505   5.247
  499   1HB   LEU  63          1HB       LEU  63   6.793  -3.774   3.640
  500   2HB   LEU  63          2HB       LEU  63   5.799  -2.821   4.769
  501    HG   LEU  63           HG       LEU  63   8.493  -1.775   4.117
  502   1HD1  LEU  63          1HD1      LEU  63   7.732  -2.503   1.913
  503   2HD1  LEU  63          2HD1      LEU  63   6.199  -1.629   2.146
  504   3HD1  LEU  63          3HD1      LEU  63   7.728  -0.730   2.028
  505   1HD2  LEU  63          1HD2      LEU  63   6.988  -0.601   5.657
  506   2HD2  LEU  63          2HD2      LEU  63   7.290   0.375   4.202
  507   3HD2  LEU  63          3HD2      LEU  63   5.752  -0.499   4.381
  508    H    SER  64           H        SER  64   6.720  -2.212   7.564
  509    HA   SER  64           HA       SER  64   8.748  -0.294   7.649
  510   1HB   SER  64          1HB       SER  64   6.471  -0.174   8.738
  511   2HB   SER  64          2HB       SER  64   7.096  -1.249  10.013
  512    HG   SER  64           HG       SER  64   7.311   0.956  10.627
  513    H    LEU  65           H        LEU  65   8.465  -3.478   9.392
  514    HA   LEU  65           HA       LEU  65  11.020  -3.112  10.687
  515   1HB   LEU  65          1HB       LEU  65   9.357  -5.606  10.239
  516   2HB   LEU  65          2HB       LEU  65  10.762  -5.466  11.324
  517    HG   LEU  65           HG       LEU  65   8.412  -3.597  11.577
  518   1HD1  LEU  65          1HD1      LEU  65   7.484  -5.861  11.574
  519   2HD1  LEU  65          2HD1      LEU  65   8.637  -6.348  12.839
  520   3HD1  LEU  65          3HD1      LEU  65   7.383  -5.137  13.196
  521   1HD2  LEU  65          1HD2      LEU  65  10.441  -3.014  12.805
  522   2HD2  LEU  65          2HD2      LEU  65   9.126  -3.439  13.923
  523   3HD2  LEU  65          3HD2      LEU  65  10.429  -4.606  13.602
  524    H    ARG  66           H        ARG  66  10.006  -4.220   7.535
  525    HA   ARG  66           HA       ARG  66  12.418  -5.698   6.914
  526   1HB   ARG  66          1HB       ARG  66  10.020  -6.100   6.027
  527   2HB   ARG  66          2HB       ARG  66  10.355  -4.746   4.921
  528   1HG   ARG  66          1HG       ARG  66  12.663  -6.234   4.737
  529   2HG   ARG  66          2HG       ARG  66  11.423  -7.495   4.942
  530   1HD   ARG  66          1HD       ARG  66  11.041  -5.292   2.920
  531   2HD   ARG  66          2HD       ARG  66  12.070  -6.691   2.542
  532    HE   ARG  66           HE       ARG  66   9.227  -6.591   2.568
  533   1HH1  ARG  66          1HH1      ARG  66   8.019  -8.465   2.094
  534   2HH1  ARG  66          2HH1      ARG  66   8.773 -10.037   2.201
  535   1HH2  ARG  66          1HH2      ARG  66  11.891  -8.825   3.194
  536   2HH2  ARG  66          2HH2      ARG  66  10.942 -10.240   2.817
  537    H    VAL  67           H        VAL  67  10.954  -2.655   5.565
  538    HA   VAL  67           HA       VAL  67  13.579  -1.850   4.518
  539    HB   VAL  67           HB       VAL  67  11.308  -1.934   3.261
  540   1HG1  VAL  67          1HG1      VAL  67   9.943  -0.527   4.744
  541   2HG1  VAL  67          2HG1      VAL  67  11.048   0.843   4.473
  542   3HG1  VAL  67          3HG1      VAL  67  10.068   0.212   3.137
  543   1HG2  VAL  67          1HG2      VAL  67  13.453  -1.147   2.358
  544   2HG2  VAL  67          2HG2      VAL  67  12.116  -0.133   1.770
  545   3HG2  VAL  67          3HG2      VAL  67  13.171   0.460   3.072
  546    H    LYS  68           H        LYS  68  12.938  -1.856   7.435
  547    HA   LYS  68           HA       LYS  68  14.270   0.474   8.279
  548   1HB   LYS  68          1HB       LYS  68  11.496   0.906   7.747
  549   2HB   LYS  68          2HB       LYS  68  11.724   0.917   9.512
  550   1HG   LYS  68          1HG       LYS  68  13.260   2.719   9.403
  551   2HG   LYS  68          2HG       LYS  68  13.450   2.551   7.641
  552   1HD   LYS  68          1HD       LYS  68  11.318   3.431   7.195
  553   2HD   LYS  68          2HD       LYS  68  10.710   3.041   8.821
  554   1HE   LYS  68          1HE       LYS  68  12.348   4.761   9.728
  555   2HE   LYS  68          2HE       LYS  68  12.655   5.245   8.046
  556   1HZ   LYS  68          1HZ       LYS  68  10.005   5.145   9.288
  557   2HZ   LYS  68          2HZ       LYS  68  10.903   6.500   9.143
  558   3HZ   LYS  68          3HZ       LYS  68  10.373   5.744   7.804
  559    H    LYS  69           H        LYS  69  15.217  -1.504   9.094
  560    HA   LYS  69           HA       LYS  69  13.846  -2.719  11.405
  561   1HB   LYS  69          1HB       LYS  69  15.303  -3.941   9.512
  562   2HB   LYS  69          2HB       LYS  69  16.631  -3.481  10.604
  563   1HG   LYS  69          1HG       LYS  69  15.354  -4.511  12.497
  564   2HG   LYS  69          2HG       LYS  69  14.144  -5.078  11.320
  565   1HD   LYS  69          1HD       LYS  69  15.398  -6.968  11.309
  566   2HD   LYS  69          2HD       LYS  69  16.439  -6.047  10.198
  567   1HE   LYS  69          1HE       LYS  69  18.144  -6.197  11.669
  568   2HE   LYS  69          2HE       LYS  69  17.171  -5.349  12.892
  569   1HZ   LYS  69          1HZ       LYS  69  16.170  -7.459  13.442
  570   2HZ   LYS  69          2HZ       LYS  69  17.091  -8.219  12.318
  571   3HZ   LYS  69          3HZ       LYS  69  17.786  -7.526  13.621
  572    H    MET  70           H        MET  70  14.684  -2.620  13.453
  573    HA   MET  70           HA       MET  70  16.740  -0.532  13.946
  574   1HB   MET  70          1HB       MET  70  15.540   0.142  15.925
  575   2HB   MET  70          2HB       MET  70  14.458   0.203  14.514
  576   1HG   MET  70          1HG       MET  70  12.976  -1.118  15.553
  577   2HG   MET  70          2HG       MET  70  14.203  -2.377  15.776
  578   1HE   MET  70          1HE       MET  70  14.734  -3.218  18.032
  579   2HE   MET  70          2HE       MET  70  13.895  -2.589  19.471
  580   3HE   MET  70          3HE       MET  70  12.959  -3.084  18.041

  No H/Q in entry =         580
  Start of MODEL   17
    1    H1   ALA   1           H1       ALA   1 -11.986  10.652  -8.473
    2    H2   ALA   1           H2       ALA   1 -10.852  10.081  -7.432
    3    H3   ALA   1           H3       ALA   1 -12.310   9.362  -7.523
    4    HA   ALA   1           HA       ALA   1 -13.403  11.289  -6.698
    5   1HB   ALA   1          1HB       ALA   1 -11.125  10.237  -4.978
    6   2HB   ALA   1          2HB       ALA   1 -12.716   9.471  -5.205
    7   3HB   ALA   1          3HB       ALA   1 -12.598  11.051  -4.389
    8    H    SER   2           H        SER   2 -11.159  12.532  -4.647
    9    HA   SER   2           HA       SER   2 -11.021  15.118  -5.794
   10   1HB   SER   2          1HB       SER   2 -10.815  14.336  -3.355
   11   2HB   SER   2          2HB       SER   2  -9.130  13.908  -3.742
   12    HG   SER   2           HG       SER   2  -9.512  16.147  -2.853
   13    H    ASN   3           H        ASN   3  -8.329  15.892  -5.513
   14    HA   ASN   3           HA       ASN   3  -7.173  14.915  -8.016
   15   1HB   ASN   3          1HB       ASN   3  -5.483  16.697  -7.574
   16   2HB   ASN   3          2HB       ASN   3  -7.157  17.290  -7.609
   17   2HD2  ASN   3          2HD2      ASN   3  -4.403  16.510  -5.562
   18   1HD2  ASN   3          1HD2      ASN   3  -4.984  17.274  -4.098
   19    H    TYR   4           H        TYR   4  -7.309  13.317  -5.341
   20    HA   TYR   4           HA       TYR   4  -4.460  12.716  -4.904
   21   1HB   TYR   4          1HB       TYR   4  -7.025  12.411  -3.367
   22   2HB   TYR   4          2HB       TYR   4  -5.664  11.334  -3.008
   23    HD1  TYR   4           HD1      TYR   4  -5.790  12.163  -0.718
   24    HD2  TYR   4           HD2      TYR   4  -4.820  14.822  -3.993
   25    HE1  TYR   4           HE1      TYR   4  -4.572  13.657   0.865
   26    HE2  TYR   4           HE2      TYR   4  -3.569  16.314  -2.417
   27    HH   TYR   4           HH       TYR   4  -2.823  16.574  -0.349
   28    H    ASP   5           H        ASP   5  -5.408  11.920  -7.370
   29    HA   ASP   5           HA       ASP   5  -5.521   8.971  -7.087
   30   1HB   ASP   5          1HB       ASP   5  -7.214  10.858  -8.659
   31   2HB   ASP   5          2HB       ASP   5  -6.722   9.356  -9.469
   32    HD2  ASP   5           HD2      ASP   5  -9.203   7.668  -7.881
   33    H    CYS   6           H        CYS   6  -3.092   9.738  -7.064
   34    HA   CYS   6           HA       CYS   6  -1.896  10.517  -9.533
   35   1HB   CYS   6          1HB       CYS   6  -0.515  10.976  -7.823
   36   2HB   CYS   6          2HB       CYS   6  -1.022   9.552  -6.880
   37    H    CYS   7           H        CYS   7  -1.501   7.344  -7.849
   38    HA   CYS   7           HA       CYS   7  -0.582   5.771  -9.902
   39   1HB   CYS   7          1HB       CYS   7  -1.925   5.542  -7.338
   40   2HB   CYS   7          2HB       CYS   7  -2.523   4.297  -8.463
   41    H    LEU   8           H        LEU   8  -1.748   4.195 -11.296
   42    HA   LEU   8           HA       LEU   8  -3.410   5.188 -13.127
   43   1HB   LEU   8          1HB       LEU   8  -3.113   2.395 -12.057
   44   2HB   LEU   8          2HB       LEU   8  -4.326   2.729 -13.318
   45    HG   LEU   8           HG       LEU   8  -1.885   4.072 -14.034
   46   1HD1  LEU   8          1HD1      LEU   8  -0.740   2.467 -12.564
   47   2HD1  LEU   8          2HD1      LEU   8  -1.538   1.117 -13.407
   48   3HD1  LEU   8          3HD1      LEU   8  -0.371   2.142 -14.275
   49   1HD2  LEU   8          1HD2      LEU   8  -3.676   3.322 -15.561
   50   2HD2  LEU   8          2HD2      LEU   8  -2.101   2.641 -16.040
   51   3HD2  LEU   8          3HD2      LEU   8  -3.288   1.625 -15.189
   52    H    SER   9           H        SER   9  -4.458   4.082  -9.989
   53    HA   SER   9           HA       SER   9  -6.691   5.641  -9.812
   54   1HB   SER   9          1HB       SER   9  -8.457   3.776  -9.637
   55   2HB   SER   9          2HB       SER   9  -7.997   4.297 -11.275
   56    HG   SER   9           HG       SER   9  -7.910   2.077 -11.313
   57    H    TYR  10           H        TYR  10  -6.726   5.999  -7.674
   58    HA   TYR  10           HA       TYR  10  -5.393   4.803  -5.618
   59   1HB   TYR  10          1HB       TYR  10  -6.781   6.867  -5.471
   60   2HB   TYR  10          2HB       TYR  10  -8.249   5.880  -5.586
   61    HD1  TYR  10           HD1      TYR  10  -5.113   6.182  -3.523
   62    HD2  TYR  10           HD2      TYR  10  -9.347   5.266  -3.600
   63    HE1  TYR  10           HE1      TYR  10  -5.104   5.907  -1.035
   64    HE2  TYR  10           HE2      TYR  10  -9.336   5.025  -1.093
   65    HH   TYR  10           HH       TYR  10  -8.106   5.116   0.769
   66    H    ILE  11           H        ILE  11  -6.013   3.227  -3.958
   67    HA   ILE  11           HA       ILE  11  -7.066   0.853  -4.886
   68    HB   ILE  11           HB       ILE  11  -5.594   1.127  -2.948
   69   1HG1  ILE  11          1HG1      ILE  11  -6.395  -0.738  -1.708
   70   2HG1  ILE  11          2HG1      ILE  11  -8.083  -0.398  -2.160
   71   1HG2  ILE  11          1HG2      ILE  11  -6.721   2.961  -1.759
   72   2HG2  ILE  11          2HG2      ILE  11  -8.103   1.892  -1.414
   73   3HG2  ILE  11          3HG2      ILE  11  -6.517   1.558  -0.690
   74   1HD1  ILE  11          1HD1      ILE  11  -5.885  -1.310  -4.049
   75   2HD1  ILE  11          2HD1      ILE  11  -7.196  -2.330  -3.420
   76   3HD1  ILE  11          3HD1      ILE  11  -7.573  -0.971  -4.498
   77    H    GLN  12           H        GLN  12  -8.868   1.261  -6.045
   78    HA   GLN  12           HA       GLN  12 -11.228   2.303  -5.161
   79   1HB   GLN  12          1HB       GLN  12 -12.344   1.097  -6.930
   80   2HB   GLN  12          2HB       GLN  12 -10.745   1.641  -7.491
   81   1HG   GLN  12          1HG       GLN  12  -9.838  -0.578  -7.301
   82   2HG   GLN  12          2HG       GLN  12 -11.285  -1.163  -6.453
   83   2HE2  GLN  12          2HE2      GLN  12  -9.983  -0.030  -9.520
   84   1HE2  GLN  12          1HE2      GLN  12 -11.237  -0.702 -10.541
   85    H    THR  13           H        THR  13  -9.768  -0.607  -4.160
   86    HA   THR  13           HA       THR  13 -11.855  -1.222  -2.291
   87    HB   THR  13           HB       THR  13 -11.525  -2.812  -4.739
   88    HG1  THR  13           HG1      THR  13 -13.788  -3.086  -4.092
   89   1HG2  THR  13          1HG2      THR  13 -12.027  -4.265  -2.118
   90   2HG2  THR  13          2HG2      THR  13 -12.280  -4.947  -3.737
   91   3HG2  THR  13          3HG2      THR  13 -10.641  -4.523  -3.205
   92    HA   PRO  14           HA       PRO  14  -8.035  -1.970  -0.182
   93   1HB   PRO  14          1HB       PRO  14  -9.213  -1.935   2.331
   94   2HB   PRO  14          2HB       PRO  14  -8.620  -0.509   1.417
   95   1HG   PRO  14          1HG       PRO  14 -11.418  -1.433   1.831
   96   2HG   PRO  14          2HG       PRO  14 -10.794   0.242   1.671
   97   1HD   PRO  14          1HD       PRO  14 -12.046  -1.232  -0.360
   98   2HD   PRO  14          2HD       PRO  14 -10.920   0.130  -0.644
   99    H    LEU  15           H        LEU  15  -7.325  -3.997  -0.532
  100    HA   LEU  15           HA       LEU  15  -9.068  -6.211   0.287
  101   1HB   LEU  15          1HB       LEU  15  -7.398  -7.552  -1.087
  102   2HB   LEU  15          2HB       LEU  15  -8.457  -6.415  -1.956
  103    HG   LEU  15           HG       LEU  15  -5.903  -5.214  -1.120
  104   1HD1  LEU  15          1HD1      LEU  15  -5.224  -7.564  -1.466
  105   2HD1  LEU  15          2HD1      LEU  15  -6.014  -7.557  -3.060
  106   3HD1  LEU  15          3HD1      LEU  15  -4.601  -6.509  -2.762
  107   1HD2  LEU  15          1HD2      LEU  15  -7.301  -5.562  -3.813
  108   2HD2  LEU  15          2HD2      LEU  15  -7.477  -4.162  -2.725
  109   3HD2  LEU  15          3HD2      LEU  15  -5.908  -4.501  -3.495
  110    HA   PRO  16           HA       PRO  16  -6.677  -7.106   3.837
  111   1HB   PRO  16          1HB       PRO  16  -6.679  -9.839   4.090
  112   2HB   PRO  16          2HB       PRO  16  -8.147  -8.830   4.300
  113   1HG   PRO  16          1HG       PRO  16  -7.289 -10.378   1.855
  114   2HG   PRO  16          2HG       PRO  16  -8.914 -10.320   2.612
  115   1HD   PRO  16          1HD       PRO  16  -8.221  -8.810   0.415
  116   2HD   PRO  16          2HD       PRO  16  -9.364  -8.215   1.657
  117    H    SER  17           H        SER  17  -4.569  -7.871   4.680
  118    HA   SER  17           HA       SER  17  -2.503  -7.820   2.741
  119   1HB   SER  17          1HB       SER  17  -0.954  -8.125   4.569
  120   2HB   SER  17          2HB       SER  17  -2.215  -6.962   5.049
  121    HG   SER  17           HG       SER  17  -1.593  -8.771   6.601
  122    H    ARG  18           H        ARG  18  -4.530 -10.322   3.538
  123    HA   ARG  18           HA       ARG  18  -2.722 -12.582   3.340
  124   1HB   ARG  18          1HB       ARG  18  -5.319 -11.988   4.296
  125   2HB   ARG  18          2HB       ARG  18  -5.549 -13.108   2.930
  126   1HG   ARG  18          1HG       ARG  18  -4.016 -14.709   3.895
  127   2HG   ARG  18          2HG       ARG  18  -3.531 -13.556   5.164
  128   1HD   ARG  18          1HD       ARG  18  -6.418 -14.432   4.878
  129   2HD   ARG  18          2HD       ARG  18  -5.245 -15.433   5.763
  130    HE   ARG  18           HE       ARG  18  -6.481 -13.001   6.652
  131   1HH1  ARG  18          1HH1      ARG  18  -5.967 -12.156   8.701
  132   2HH1  ARG  18          2HH1      ARG  18  -4.533 -12.701   9.540
  133   1HH2  ARG  18          1HH2      ARG  18  -3.505 -14.881   7.022
  134   2HH2  ARG  18          2HH2      ARG  18  -3.153 -14.226   8.602
  135    H    ALA  19           H        ALA  19  -3.553 -10.370   1.103
  136    HA   ALA  19           HA       ALA  19  -3.521 -12.332  -1.113
  137   1HB   ALA  19          1HB       ALA  19  -4.991 -10.784  -2.366
  138   2HB   ALA  19          2HB       ALA  19  -5.785 -11.358  -0.878
  139   3HB   ALA  19          3HB       ALA  19  -5.090  -9.720  -0.941
  140    H    ILE  20           H        ILE  20  -1.548 -10.298   0.498
  141    HA   ILE  20           HA       ILE  20  -0.633  -8.727  -1.819
  142    HB   ILE  20           HB       ILE  20  -0.402  -8.497   1.181
  143   1HG1  ILE  20          1HG1      ILE  20  -1.209  -6.239   0.786
  144   2HG1  ILE  20          2HG1      ILE  20  -1.180  -6.520  -0.972
  145   1HG2  ILE  20          1HG2      ILE  20   1.850  -8.070   0.234
  146   2HG2  ILE  20          2HG2      ILE  20   1.142  -6.898  -0.904
  147   3HG2  ILE  20          3HG2      ILE  20   1.124  -6.566   0.841
  148   1HD1  ILE  20          1HD1      ILE  20  -3.095  -7.771   0.998
  149   2HD1  ILE  20          2HD1      ILE  20  -3.493  -6.456  -0.119
  150   3HD1  ILE  20          3HD1      ILE  20  -3.068  -8.050  -0.760
  151    H    VAL  21           H        VAL  21   0.737  -9.783  -3.013
  152    HA   VAL  21           HA       VAL  21   2.546 -11.750  -1.876
  153    HB   VAL  21           HB       VAL  21   1.256 -11.368  -4.307
  154   1HG1  VAL  21          1HG1      VAL  21   3.115 -10.112  -5.273
  155   2HG1  VAL  21          2HG1      VAL  21   4.239 -11.418  -4.826
  156   3HG1  VAL  21          3HG1      VAL  21   2.981 -11.704  -6.041
  157   1HG2  VAL  21          1HG2      VAL  21   1.614 -13.430  -3.038
  158   2HG2  VAL  21          2HG2      VAL  21   2.145 -13.628  -4.723
  159   3HG2  VAL  21          3HG2      VAL  21   3.349 -13.385  -3.436
  160    H    GLY  22           H        GLY  22   2.842  -8.524  -3.412
  161   1HA   GLY  22          1HA       GLY  22   5.456  -8.151  -3.768
  162   2HA   GLY  22          2HA       GLY  22   5.347  -8.021  -1.998
  163    H    PHE  23           H        PHE  23   5.342  -5.930  -1.463
  164    HA   PHE  23           HA       PHE  23   3.972  -3.983  -3.162
  165   1HB   PHE  23          1HB       PHE  23   2.903  -3.016  -1.182
  166   2HB   PHE  23          2HB       PHE  23   2.367  -4.680  -1.476
  167    HD1  PHE  23           HD1      PHE  23   3.970  -6.500  -0.207
  168    HD2  PHE  23           HD2      PHE  23   3.241  -2.418   1.010
  169    HE1  PHE  23           HE1      PHE  23   4.640  -7.107   2.116
  170    HE2  PHE  23           HE2      PHE  23   3.803  -3.036   3.353
  171    HZ   PHE  23           HZ       PHE  23   4.544  -5.359   3.878
  172    H    THR  24           H        THR  24   4.305  -1.743  -2.324
  173    HA   THR  24           HA       THR  24   6.936  -1.306  -1.053
  174    HB   THR  24           HB       THR  24   6.308   0.020  -3.684
  175    HG1  THR  24           HG1      THR  24   7.642  -1.835  -4.616
  176   1HG2  THR  24          1HG2      THR  24   8.251   0.775  -2.354
  177   2HG2  THR  24          2HG2      THR  24   8.890  -0.886  -2.349
  178   3HG2  THR  24          3HG2      THR  24   8.779   0.020  -3.875
  179    H    ARG  25           H        ARG  25   7.341   1.099  -0.903
  180    HA   ARG  25           HA       ARG  25   4.928   2.349   0.223
  181   1HB   ARG  25          1HB       ARG  25   7.896   2.963   0.542
  182   2HB   ARG  25          2HB       ARG  25   6.584   3.914   1.278
  183   1HG   ARG  25          1HG       ARG  25   5.807   1.883   2.480
  184   2HG   ARG  25          2HG       ARG  25   7.152   0.960   1.771
  185   1HD   ARG  25          1HD       ARG  25   8.355   1.588   3.577
  186   2HD   ARG  25          2HD       ARG  25   8.403   3.206   2.846
  187    HE   ARG  25           HE       ARG  25   5.989   3.091   4.185
  188   1HH1  ARG  25          1HH1      ARG  25   5.666   3.874   6.296
  189   2HH1  ARG  25          2HH1      ARG  25   7.015   3.986   7.401
  190   1HH2  ARG  25          1HH2      ARG  25   9.366   2.755   5.143
  191   2HH2  ARG  25          2HH2      ARG  25   9.089   3.360   6.756
  192    H    GLN  26           H        GLN  26   4.266   4.388  -0.320
  193    HA   GLN  26           HA       GLN  26   5.535   5.654  -2.681
  194   1HB   GLN  26          1HB       GLN  26   3.496   4.741  -3.427
  195   2HB   GLN  26          2HB       GLN  26   2.647   5.216  -1.936
  196   1HG   GLN  26          1HG       GLN  26   2.897   7.599  -2.590
  197   2HG   GLN  26          2HG       GLN  26   3.662   7.080  -4.107
  198   2HE2  GLN  26          2HE2      GLN  26   0.844   8.248  -3.005
  199   1HE2  GLN  26          1HE2      GLN  26  -0.267   7.479  -4.124
  200    H    MET  27           H        MET  27   6.480   7.402  -2.107
  201    HA   MET  27           HA       MET  27   5.699   8.992   0.188
  202   1HB   MET  27          1HB       MET  27   7.530  10.514  -0.599
  203   2HB   MET  27          2HB       MET  27   8.028   8.858  -0.181
  204   1HG   MET  27          1HG       MET  27   7.411   9.425  -3.045
  205   2HG   MET  27          2HG       MET  27   8.892  10.130  -2.375
  206   1HE   MET  27          1HE       MET  27  10.258   8.743  -4.197
  207   2HE   MET  27          2HE       MET  27  10.140   6.978  -4.399
  208   3HE   MET  27          3HE       MET  27   8.747   8.013  -4.794
  209    H    ALA  28           H        ALA  28   5.635  11.465  -0.187
  210    HA   ALA  28           HA       ALA  28   3.738  12.069  -2.391
  211   1HB   ALA  28          1HB       ALA  28   4.074  13.340   0.353
  212   2HB   ALA  28          2HB       ALA  28   2.777  12.219  -0.126
  213   3HB   ALA  28          3HB       ALA  28   2.889  13.825  -0.884
  214    H    ASP  29           H        ASP  29   5.105  12.747  -3.968
  215    HA   ASP  29           HA       ASP  29   6.172  15.242  -4.074
  216   1HB   ASP  29          1HB       ASP  29   8.089  13.479  -2.768
  217   2HB   ASP  29          2HB       ASP  29   8.730  14.104  -4.303
  218    HD2  ASP  29           HD2      ASP  29   8.857  16.431  -1.283
  219    H    GLU  30           H        GLU  30   7.186  11.935  -5.016
  220    HA   GLU  30           HA       GLU  30   8.113  12.568  -7.612
  221   1HB   GLU  30          1HB       GLU  30   8.298  10.462  -5.953
  222   2HB   GLU  30          2HB       GLU  30   6.993   9.863  -7.003
  223   1HG   GLU  30          1HG       GLU  30   8.801  10.981  -8.808
  224   2HG   GLU  30          2HG       GLU  30   9.859  10.244  -7.585
  225    H    ALA  31           H        ALA  31   6.482  10.376  -9.065
  226    HA   ALA  31           HA       ALA  31   4.561  11.873 -10.371
  227   1HB   ALA  31          1HB       ALA  31   3.753   9.684 -11.172
  228   2HB   ALA  31          2HB       ALA  31   5.532   9.756 -11.173
  229   3HB   ALA  31          3HB       ALA  31   4.677   8.871  -9.887
  230    H    CYS  32           H        CYS  32   4.402  10.551  -7.186
  231    HA   CYS  32           HA       CYS  32   1.501  10.942  -7.033
  232   1HB   CYS  32          1HB       CYS  32   3.413   9.098  -5.656
  233   2HB   CYS  32          2HB       CYS  32   1.989   9.687  -4.765
  234    H    ASP  33           H        ASP  33   0.682  12.384  -5.767
  235    HA   ASP  33           HA       ASP  33   2.541  14.181  -4.322
  236   1HB   ASP  33          1HB       ASP  33   0.915  14.994  -6.128
  237   2HB   ASP  33          2HB       ASP  33  -0.393  14.622  -4.984
  238    HD2  ASP  33           HD2      ASP  33   1.971  17.733  -4.257
  239    H    ILE  34           H        ILE  34   0.857  11.437  -3.604
  240    HA   ILE  34           HA       ILE  34   0.224  12.311  -0.870
  241    HB   ILE  34           HB       ILE  34  -1.835  11.005  -0.881
  242   1HG1  ILE  34          1HG1      ILE  34  -1.363  10.566  -3.838
  243   2HG1  ILE  34          2HG1      ILE  34  -1.211   9.329  -2.567
  244   1HG2  ILE  34          1HG2      ILE  34  -1.849  13.394  -1.435
  245   2HG2  ILE  34          2HG2      ILE  34  -1.656  13.004  -3.160
  246   3HG2  ILE  34          3HG2      ILE  34  -3.142  12.525  -2.300
  247   1HD1  ILE  34          1HD1      ILE  34  -3.766  10.777  -3.345
  248   2HD1  ILE  34          2HD1      ILE  34  -3.359   9.104  -3.779
  249   3HD1  ILE  34          3HD1      ILE  34  -3.615   9.538  -2.076
  250    H    ASN  35           H        ASN  35   0.218  10.529   0.636
  251    HA   ASN  35           HA       ASN  35   2.209   8.513  -0.069
  252   1HB   ASN  35          1HB       ASN  35   0.814   9.350   2.471
  253   2HB   ASN  35          2HB       ASN  35   1.736   7.834   2.376
  254   2HD2  ASN  35          2HD2      ASN  35   2.992   8.871   4.074
  255   1HD2  ASN  35          1HD2      ASN  35   4.302   9.946   3.637
  256    H    ALA  36           H        ALA  36   1.760   6.567  -0.763
  257    HA   ALA  36           HA       ALA  36  -0.684   5.270   0.099
  258   1HB   ALA  36          1HB       ALA  36  -1.342   4.447  -2.119
  259   2HB   ALA  36          2HB       ALA  36  -0.080   5.453  -2.862
  260   3HB   ALA  36          3HB       ALA  36  -1.444   6.219  -2.013
  261    H    ILE  37           H        ILE  37  -0.616   2.915  -0.914
  262    HA   ILE  37           HA       ILE  37   2.141   1.870  -0.513
  263    HB   ILE  37           HB       ILE  37  -0.419   0.524   0.335
  264   1HG1  ILE  37          1HG1      ILE  37  -0.473   2.490   1.624
  265   2HG1  ILE  37          2HG1      ILE  37   0.018   1.126   2.657
  266   1HG2  ILE  37          1HG2      ILE  37   1.538  -0.890  -0.024
  267   2HG2  ILE  37          2HG2      ILE  37   2.477   0.092   1.125
  268   3HG2  ILE  37          3HG2      ILE  37   1.089  -0.863   1.696
  269   1HD1  ILE  37          1HD1      ILE  37   1.842   3.303   1.597
  270   2HD1  ILE  37          2HD1      ILE  37   1.242   3.188   3.261
  271   3HD1  ILE  37          3HD1      ILE  37   2.332   1.941   2.633
  272    H    ILE  38           H        ILE  38   2.719   1.214  -2.379
  273    HA   ILE  38           HA       ILE  38   0.976   0.368  -4.526
  274    HB   ILE  38           HB       ILE  38   3.841   0.999  -4.046
  275   1HG1  ILE  38          1HG1      ILE  38   2.603   1.721  -6.591
  276   2HG1  ILE  38          2HG1      ILE  38   1.580   2.185  -5.210
  277   1HG2  ILE  38          1HG2      ILE  38   4.062  -1.118  -5.290
  278   2HG2  ILE  38          2HG2      ILE  38   2.939  -0.504  -6.527
  279   3HG2  ILE  38          3HG2      ILE  38   4.527   0.257  -6.310
  280   1HD1  ILE  38          1HD1      ILE  38   4.522   2.897  -5.561
  281   2HD1  ILE  38          2HD1      ILE  38   3.152   4.005  -5.803
  282   3HD1  ILE  38          3HD1      ILE  38   3.497   3.361  -4.182
  283    H    PHE  39           H        PHE  39  -0.100  -1.480  -3.979
  284    HA   PHE  39           HA       PHE  39   1.380  -3.835  -3.013
  285   1HB   PHE  39          1HB       PHE  39  -1.567  -3.227  -3.401
  286   2HB   PHE  39          2HB       PHE  39  -0.957  -4.826  -2.945
  287    HD1  PHE  39           HD1      PHE  39   0.647  -4.930  -0.968
  288    HD2  PHE  39           HD2      PHE  39  -2.011  -1.608  -1.620
  289    HE1  PHE  39           HE1      PHE  39   0.560  -4.539   1.487
  290    HE2  PHE  39           HE2      PHE  39  -2.112  -1.220   0.848
  291    HZ   PHE  39           HZ       PHE  39  -0.840  -2.705   2.391
  292    H    HIS  40           H        HIS  40   1.626  -5.741  -4.145
  293    HA   HIS  40           HA       HIS  40   0.587  -5.887  -6.924
  294   1HB   HIS  40          1HB       HIS  40   3.254  -6.986  -5.990
  295   2HB   HIS  40          2HB       HIS  40   2.681  -6.729  -7.649
  296    HD1  HIS  40           HD1      HIS  40   2.256  -3.958  -8.087
  297    HD2  HIS  40           HD2      HIS  40   4.831  -5.132  -5.110
  298    HE1  HIS  40           HE1      HIS  40   4.015  -2.105  -7.893
  299    HE2  HIS  40           HE2      HIS  40   5.310  -2.722  -5.771
  300    H    THR  41           H        THR  41  -1.090  -7.009  -5.712
  301    HA   THR  41           HA       THR  41  -0.690  -9.391  -4.215
  302    HB   THR  41           HB       THR  41  -3.110  -9.635  -4.637
  303    HG1  THR  41           HG1      THR  41  -3.971  -7.855  -6.138
  304   1HG2  THR  41          1HG2      THR  41  -2.307  -6.731  -4.253
  305   2HG2  THR  41          2HG2      THR  41  -3.884  -7.443  -3.831
  306   3HG2  THR  41          3HG2      THR  41  -2.416  -7.965  -2.973
  307    H    LYS  42           H        LYS  42  -1.971 -11.463  -5.190
  308    HA   LYS  42           HA       LYS  42  -0.339 -12.180  -7.522
  309   1HB   LYS  42          1HB       LYS  42  -0.804 -14.466  -6.999
  310   2HB   LYS  42          2HB       LYS  42  -0.276 -13.614  -5.528
  311   1HG   LYS  42          1HG       LYS  42  -2.427 -13.663  -4.583
  312   2HG   LYS  42          2HG       LYS  42  -3.210 -13.989  -6.148
  313   1HD   LYS  42          1HD       LYS  42  -1.864 -16.195  -6.168
  314   2HD   LYS  42          2HD       LYS  42  -1.536 -15.873  -4.449
  315   1HE   LYS  42          1HE       LYS  42  -3.618 -16.541  -3.853
  316   2HE   LYS  42          2HE       LYS  42  -4.368 -15.498  -5.081
  317   1HZ   LYS  42          1HZ       LYS  42  -3.839 -17.164  -6.716
  318   2HZ   LYS  42          2HZ       LYS  42  -3.148 -18.120  -5.569
  319   3HZ   LYS  42          3HZ       LYS  42  -4.747 -17.807  -5.526
  320    H    LYS  43           H        LYS  43  -3.437 -11.012  -6.975
  321    HA   LYS  43           HA       LYS  43  -4.325 -11.852  -9.636
  322   1HB   LYS  43          1HB       LYS  43  -5.116 -13.438  -7.726
  323   2HB   LYS  43          2HB       LYS  43  -6.220 -12.106  -7.307
  324   1HG   LYS  43          1HG       LYS  43  -7.025 -12.113  -9.695
  325   2HG   LYS  43          2HG       LYS  43  -6.031 -13.562  -9.977
  326   1HD   LYS  43          1HD       LYS  43  -7.317 -14.867  -8.469
  327   2HD   LYS  43          2HD       LYS  43  -8.090 -13.429  -7.760
  328   1HE   LYS  43          1HE       LYS  43  -8.824 -13.118 -10.369
  329   2HE   LYS  43          2HE       LYS  43  -8.736 -14.891 -10.283
  330   1HZ   LYS  43          1HZ       LYS  43 -10.162 -13.174  -8.388
  331   2HZ   LYS  43          2HZ       LYS  43 -10.869 -14.034  -9.590
  332   3HZ   LYS  43          3HZ       LYS  43 -10.127 -14.818  -8.361
  333    H    ARG  44           H        ARG  44  -3.288  -9.360  -8.704
  334    HA   ARG  44           HA       ARG  44  -5.258  -7.596  -9.781
  335   1HB   ARG  44          1HB       ARG  44  -5.220  -7.875  -6.912
  336   2HB   ARG  44          2HB       ARG  44  -4.540  -6.292  -7.356
  337   1HG   ARG  44          1HG       ARG  44  -6.579  -5.779  -8.634
  338   2HG   ARG  44          2HG       ARG  44  -7.262  -7.356  -8.170
  339   1HD   ARG  44          1HD       ARG  44  -7.034  -6.738  -5.765
  340   2HD   ARG  44          2HD       ARG  44  -6.379  -5.156  -6.240
  341    HE   ARG  44           HE       ARG  44  -9.130  -6.014  -6.307
  342   1HH1  ARG  44          1HH1      ARG  44 -10.734  -4.646  -7.085
  343   2HH1  ARG  44          2HH1      ARG  44 -10.310  -3.202  -7.977
  344   1HH2  ARG  44          1HH2      ARG  44  -6.873  -3.731  -7.786
  345   2HH2  ARG  44          2HH2      ARG  44  -8.143  -2.685  -8.371
  346    H    LYS  45           H        LYS  45  -4.185  -6.010 -10.738
  347    HA   LYS  45           HA       LYS  45  -1.347  -5.926 -10.818
  348   1HB   LYS  45          1HB       LYS  45  -1.615  -3.970 -12.185
  349   2HB   LYS  45          2HB       LYS  45  -2.796  -5.215 -12.653
  350   1HG   LYS  45          1HG       LYS  45  -4.562  -3.880 -12.177
  351   2HG   LYS  45          2HG       LYS  45  -3.817  -3.258 -10.685
  352   1HD   LYS  45          1HD       LYS  45  -2.766  -1.510 -11.773
  353   2HD   LYS  45          2HD       LYS  45  -2.553  -2.438 -13.276
  354   1HE   LYS  45          1HE       LYS  45  -4.932  -2.167 -13.814
  355   2HE   LYS  45          2HE       LYS  45  -5.203  -1.315 -12.279
  356   1HZ   LYS  45          1HZ       LYS  45  -3.363  -0.412 -14.365
  357   2HZ   LYS  45          2HZ       LYS  45  -4.875   0.143 -14.164
  358   3HZ   LYS  45          3HZ       LYS  45  -3.770   0.387 -12.987
  359    H    SER  46           H        SER  46  -0.439  -3.397 -10.619
  360    HA   SER  46           HA       SER  46   0.118  -2.971  -7.928
  361   1HB   SER  46          1HB       SER  46   0.406  -0.482  -9.016
  362   2HB   SER  46          2HB       SER  46   1.614  -1.784  -9.123
  363    HG   SER  46           HG       SER  46   1.106  -0.825 -11.198
  364    H    VAL  47           H        VAL  47  -0.896  -2.281  -6.314
  365    HA   VAL  47           HA       VAL  47  -3.443  -0.760  -6.662
  366    HB   VAL  47           HB       VAL  47  -2.556  -3.072  -5.074
  367   1HG1  VAL  47          1HG1      VAL  47  -2.808  -1.570  -3.202
  368   2HG1  VAL  47          2HG1      VAL  47  -4.449  -1.143  -3.743
  369   3HG1  VAL  47          3HG1      VAL  47  -4.094  -2.791  -3.192
  370   1HG2  VAL  47          1HG2      VAL  47  -4.144  -3.241  -6.908
  371   2HG2  VAL  47          2HG2      VAL  47  -4.898  -3.750  -5.381
  372   3HG2  VAL  47          3HG2      VAL  47  -5.265  -2.148  -6.060
  373    H    CYS  48           H        CYS  48  -3.457   1.277  -5.907
  374    HA   CYS  48           HA       CYS  48  -1.245   2.071  -4.103
  375   1HB   CYS  48          1HB       CYS  48  -2.569   3.280  -6.412
  376   2HB   CYS  48          2HB       CYS  48  -2.440   4.381  -5.017
  377    H    ALA  49           H        ALA  49  -1.984   1.696  -2.085
  378    HA   ALA  49           HA       ALA  49  -4.603   2.880  -1.408
  379   1HB   ALA  49          1HB       ALA  49  -4.243   0.466  -1.207
  380   2HB   ALA  49          2HB       ALA  49  -4.508   1.217   0.388
  381   3HB   ALA  49          3HB       ALA  49  -2.863   0.757  -0.121
  382    H    ASP  50           H        ASP  50  -4.925   4.455   0.187
  383    HA   ASP  50           HA       ASP  50  -2.565   5.851   1.021
  384   1HB   ASP  50          1HB       ASP  50  -5.380   6.315   0.942
  385   2HB   ASP  50          2HB       ASP  50  -4.817   6.585   2.607
  386    HD2  ASP  50           HD2      ASP  50  -3.688   9.643   1.666
  387    HA   PRO  51           HA       PRO  51  -1.908   3.550   4.790
  388   1HB   PRO  51          1HB       PRO  51   0.072   5.039   5.939
  389   2HB   PRO  51          2HB       PRO  51   0.306   3.989   4.501
  390   1HG   PRO  51          1HG       PRO  51  -0.112   6.965   4.589
  391   2HG   PRO  51          2HG       PRO  51   1.062   6.035   3.601
  392   1HD   PRO  51          1HD       PRO  51  -1.365   6.969   2.662
  393   2HD   PRO  51          2HD       PRO  51  -0.576   5.487   2.039
  394    H    LYS  52           H        LYS  52  -4.267   4.757   4.815
  395    HA   LYS  52           HA       LYS  52  -4.374   6.154   7.439
  396   1HB   LYS  52          1HB       LYS  52  -6.383   6.350   5.188
  397   2HB   LYS  52          2HB       LYS  52  -6.261   7.362   6.647
  398   1HG   LYS  52          1HG       LYS  52  -4.374   7.335   4.276
  399   2HG   LYS  52          2HG       LYS  52  -5.535   8.612   4.712
  400   1HD   LYS  52          1HD       LYS  52  -3.746   8.119   6.923
  401   2HD   LYS  52          2HD       LYS  52  -2.810   8.407   5.437
  402   1HE   LYS  52          1HE       LYS  52  -3.075  10.568   6.200
  403   2HE   LYS  52          2HE       LYS  52  -4.496  10.419   5.142
  404   1HZ   LYS  52          1HZ       LYS  52  -5.759   9.804   7.130
  405   2HZ   LYS  52          2HZ       LYS  52  -4.420  10.085   8.038
  406   3HZ   LYS  52          3HZ       LYS  52  -5.123  11.299   7.211
  407    H    GLN  53           H        GLN  53  -4.877   3.232   5.991
  408    HA   GLN  53           HA       GLN  53  -7.278   2.544   7.590
  409   1HB   GLN  53          1HB       GLN  53  -6.039   1.195   5.168
  410   2HB   GLN  53          2HB       GLN  53  -7.514   0.678   6.021
  411   1HG   GLN  53          1HG       GLN  53  -8.462   1.788   4.246
  412   2HG   GLN  53          2HG       GLN  53  -8.318   3.139   5.391
  413   2HE2  GLN  53          2HE2      GLN  53  -7.091   1.726   2.418
  414   1HE2  GLN  53          1HE2      GLN  53  -6.126   3.103   1.915
  415    H    ASN  54           H        ASN  54  -7.190   0.133   8.229
  416    HA   ASN  54           HA       ASN  54  -4.779  -0.305   9.783
  417   1HB   ASN  54          1HB       ASN  54  -6.090  -2.140  10.770
  418   2HB   ASN  54          2HB       ASN  54  -6.980  -0.603  10.805
  419   2HD2  ASN  54          2HD2      ASN  54  -7.114  -3.870   9.954
  420   1HD2  ASN  54          1HD2      ASN  54  -8.434  -3.841   8.800
  421    H    TRP  55           H        TRP  55  -6.625  -2.139   7.229
  422    HA   TRP  55           HA       TRP  55  -4.965  -4.302   6.971
  423   1HB   TRP  55          1HB       TRP  55  -5.941  -4.649   4.813
  424   2HB   TRP  55          2HB       TRP  55  -7.180  -3.937   5.858
  425    HD1  TRP  55           HD1      TRP  55  -7.943  -1.436   5.302
  426    HE1  TRP  55           HE1      TRP  55  -7.659   0.085   3.308
  427    HE3  TRP  55           HE3      TRP  55  -4.498  -4.163   2.819
  428    HZ2  TRP  55           HZ2      TRP  55  -6.337  -0.005   0.793
  429    HZ3  TRP  55           HZ3      TRP  55  -4.081  -3.664   0.419
  430    HH2  TRP  55           HH2      TRP  55  -5.022  -1.596  -0.603
  431    H    VAL  56           H        VAL  56  -4.705  -1.243   5.147
  432    HA   VAL  56           HA       VAL  56  -2.320  -1.734   3.786
  433    HB   VAL  56           HB       VAL  56  -4.079   0.519   4.397
  434   1HG1  VAL  56          1HG1      VAL  56  -1.164   1.126   3.770
  435   2HG1  VAL  56          2HG1      VAL  56  -2.491   2.300   3.702
  436   3HG1  VAL  56          3HG1      VAL  56  -2.015   1.600   5.260
  437   1HG2  VAL  56          1HG2      VAL  56  -3.796  -0.738   2.256
  438   2HG2  VAL  56          2HG2      VAL  56  -3.426   0.991   2.043
  439   3HG2  VAL  56          3HG2      VAL  56  -2.103  -0.193   2.181
  440    H    LYS  57           H        LYS  57  -2.751   0.249   6.763
  441    HA   LYS  57           HA       LYS  57  -0.146   0.537   7.426
  442   1HB   LYS  57          1HB       LYS  57  -2.724   0.600   8.872
  443   2HB   LYS  57          2HB       LYS  57  -1.275   0.409   9.887
  444   1HG   LYS  57          1HG       LYS  57  -0.989   2.407   7.738
  445   2HG   LYS  57          2HG       LYS  57  -2.256   2.801   8.924
  446   1HD   LYS  57          1HD       LYS  57   0.089   3.745   9.332
  447   2HD   LYS  57          2HD       LYS  57  -0.728   2.943  10.696
  448   1HE   LYS  57          1HE       LYS  57   0.745   1.172  10.720
  449   2HE   LYS  57          2HE       LYS  57   1.116   1.310   8.987
  450   1HZ   LYS  57          1HZ       LYS  57   2.352   3.258   9.477
  451   2HZ   LYS  57          2HZ       LYS  57   2.028   3.100  11.091
  452   3HZ   LYS  57          3HZ       LYS  57   2.919   1.963  10.311
  453    H    ARG  58           H        ARG  58  -2.108  -2.342   8.006
  454    HA   ARG  58           HA       ARG  58  -0.310  -3.785   9.604
  455   1HB   ARG  58          1HB       ARG  58  -2.812  -4.210   8.875
  456   2HB   ARG  58          2HB       ARG  58  -2.059  -5.102   7.532
  457   1HG   ARG  58          1HG       ARG  58  -2.314  -6.788   9.147
  458   2HG   ARG  58          2HG       ARG  58  -0.651  -6.240   9.467
  459   1HD   ARG  58          1HD       ARG  58  -1.967  -4.425  10.959
  460   2HD   ARG  58          2HD       ARG  58  -3.172  -5.729  11.018
  461    HE   ARG  58           HE       ARG  58  -0.412  -6.502  11.579
  462   1HH1  ARG  58          1HH1      ARG  58   0.077  -7.263  13.656
  463   2HH1  ARG  58          2HH1      ARG  58  -1.103  -7.124  14.940
  464   1HH2  ARG  58          1HH2      ARG  58  -3.529  -5.593  12.964
  465   2HH2  ARG  58          2HH2      ARG  58  -3.123  -6.189  14.554
  466    H    ALA  59           H        ALA  59  -0.845  -3.930   5.994
  467    HA   ALA  59           HA       ALA  59   1.287  -5.751   5.524
  468   1HB   ALA  59          1HB       ALA  59  -0.011  -3.658   3.755
  469   2HB   ALA  59          2HB       ALA  59   0.992  -5.025   3.207
  470   3HB   ALA  59          3HB       ALA  59  -0.575  -5.329   3.999
  471    H    VAL  60           H        VAL  60   1.152  -2.149   5.596
  472    HA   VAL  60           HA       VAL  60   3.936  -1.815   5.060
  473    HB   VAL  60           HB       VAL  60   1.766   0.005   6.066
  474   1HG1  VAL  60          1HG1      VAL  60   4.655   0.830   5.563
  475   2HG1  VAL  60          2HG1      VAL  60   3.300   1.946   5.819
  476   3HG1  VAL  60          3HG1      VAL  60   3.822   0.877   7.135
  477   1HG2  VAL  60          1HG2      VAL  60   1.891  -0.746   3.705
  478   2HG2  VAL  60          2HG2      VAL  60   2.241   0.995   3.843
  479   3HG2  VAL  60          3HG2      VAL  60   3.572  -0.166   3.613
  480    H    ASN  61           H        ASN  61   2.179  -2.592   7.991
  481    HA   ASN  61           HA       ASN  61   4.010  -1.723   9.909
  482   1HB   ASN  61          1HB       ASN  61   1.628  -2.643  10.143
  483   2HB   ASN  61          2HB       ASN  61   2.352  -4.262  10.038
  484   2HD2  ASN  61          2HD2      ASN  61   1.561  -1.639  12.000
  485   1HD2  ASN  61          1HD2      ASN  61   2.371  -2.143  13.463
  486    H    LEU  62           H        LEU  62   3.608  -5.051   8.585
  487    HA   LEU  62           HA       LEU  62   6.026  -6.059   9.642
  488   1HB   LEU  62          1HB       LEU  62   4.227  -6.944   7.401
  489   2HB   LEU  62          2HB       LEU  62   5.782  -7.760   7.693
  490    HG   LEU  62           HG       LEU  62   4.870  -7.714  10.220
  491   1HD1  LEU  62          1HD1      LEU  62   2.758  -6.562   9.658
  492   2HD1  LEU  62          2HD1      LEU  62   2.342  -7.871   8.526
  493   3HD1  LEU  62          3HD1      LEU  62   2.442  -8.202  10.270
  494   1HD2  LEU  62          1HD2      LEU  62   5.581  -9.693   8.920
  495   2HD2  LEU  62          2HD2      LEU  62   4.089 -10.030   9.830
  496   3HD2  LEU  62          3HD2      LEU  62   4.010  -9.708   8.081
  497    H    LEU  63           H        LEU  63   5.326  -4.525   6.450
  498    HA   LEU  63           HA       LEU  63   7.911  -4.710   5.369
  499   1HB   LEU  63          1HB       LEU  63   6.342  -4.083   3.845
  500   2HB   LEU  63          2HB       LEU  63   5.516  -2.982   4.975
  501    HG   LEU  63           HG       LEU  63   8.220  -2.195   3.980
  502   1HD1  LEU  63          1HD1      LEU  63   7.112  -2.925   1.916
  503   2HD1  LEU  63          2HD1      LEU  63   5.701  -1.915   2.314
  504   3HD1  LEU  63          3HD1      LEU  63   7.268  -1.156   1.960
  505   1HD2  LEU  63          1HD2      LEU  63   6.983  -0.849   5.647
  506   2HD2  LEU  63          2HD2      LEU  63   7.177   0.049   4.124
  507   3HD2  LEU  63          3HD2      LEU  63   5.614  -0.704   4.519
  508    H    SER  64           H        SER  64   6.498  -2.268   7.587
  509    HA   SER  64           HA       SER  64   8.477  -0.365   7.528
  510   1HB   SER  64          1HB       SER  64   6.279  -0.143   8.661
  511   2HB   SER  64          2HB       SER  64   6.865  -1.212   9.957
  512    HG   SER  64           HG       SER  64   7.103   1.013  10.496
  513    H    LEU  65           H        LEU  65   8.233  -3.215   9.753
  514    HA   LEU  65           HA       LEU  65  10.783  -2.826  10.953
  515   1HB   LEU  65          1HB       LEU  65   8.987  -5.240  10.627
  516   2HB   LEU  65          2HB       LEU  65  10.512  -5.276  11.544
  517    HG   LEU  65           HG       LEU  65   8.470  -3.136  12.096
  518   1HD1  LEU  65          1HD1      LEU  65   7.207  -5.227  12.139
  519   2HD1  LEU  65          2HD1      LEU  65   8.394  -5.932  13.261
  520   3HD1  LEU  65          3HD1      LEU  65   7.387  -4.560  13.778
  521   1HD2  LEU  65          1HD2      LEU  65  10.682  -2.928  13.126
  522   2HD2  LEU  65          2HD2      LEU  65   9.433  -3.198  14.363
  523   3HD2  LEU  65          3HD2      LEU  65  10.498  -4.534  13.870
  524    H    ARG  66           H        ARG  66   9.846  -4.166   7.844
  525    HA   ARG  66           HA       ARG  66  12.361  -5.562   7.347
  526   1HB   ARG  66          1HB       ARG  66  10.123  -6.234   6.457
  527   2HB   ARG  66          2HB       ARG  66  10.136  -4.765   5.453
  528   1HG   ARG  66          1HG       ARG  66  12.348  -6.805   5.282
  529   2HG   ARG  66          2HG       ARG  66  10.828  -7.004   4.381
  530   1HD   ARG  66          1HD       ARG  66  11.730  -4.330   3.935
  531   2HD   ARG  66          2HD       ARG  66  13.128  -5.403   3.710
  532    HE   ARG  66           HE       ARG  66  10.714  -5.266   2.119
  533   1HH1  ARG  66          1HH1      ARG  66  10.588  -6.533   0.232
  534   2HH1  ARG  66          2HH1      ARG  66  11.763  -7.796  -0.055
  535   1HH2  ARG  66          1HH2      ARG  66  13.531  -7.237   2.901
  536   2HH2  ARG  66          2HH2      ARG  66  13.418  -8.193   1.445
  537    H    VAL  67           H        VAL  67  10.802  -2.581   5.953
  538    HA   VAL  67           HA       VAL  67  13.368  -1.752   4.819
  539    HB   VAL  67           HB       VAL  67  11.044  -1.834   3.690
  540   1HG1  VAL  67          1HG1      VAL  67   9.752  -0.483   5.252
  541   2HG1  VAL  67          2HG1      VAL  67  10.811   0.913   4.937
  542   3HG1  VAL  67          3HG1      VAL  67   9.773   0.274   3.649
  543   1HG2  VAL  67          1HG2      VAL  67  13.123  -1.043   2.677
  544   2HG2  VAL  67          2HG2      VAL  67  11.751  -0.037   2.161
  545   3HG2  VAL  67          3HG2      VAL  67  12.877   0.565   3.399
  546    H    LYS  68           H        LYS  68  12.961  -1.804   7.730
  547    HA   LYS  68           HA       LYS  68  14.181   0.699   8.418
  548   1HB   LYS  68          1HB       LYS  68  11.524   0.994   8.188
  549   2HB   LYS  68          2HB       LYS  68  11.579   0.331   9.838
  550   1HG   LYS  68          1HG       LYS  68  13.451   2.560   9.157
  551   2HG   LYS  68          2HG       LYS  68  11.724   2.946   9.355
  552   1HD   LYS  68          1HD       LYS  68  11.739   1.941  11.600
  553   2HD   LYS  68          2HD       LYS  68  13.450   1.495  11.401
  554   1HE   LYS  68          1HE       LYS  68  14.143   3.773  11.338
  555   2HE   LYS  68          2HE       LYS  68  12.481   4.352  11.091
  556   1HZ   LYS  68          1HZ       LYS  68  13.453   2.972  13.480
  557   2HZ   LYS  68          2HZ       LYS  68  13.219   4.586  13.349
  558   3HZ   LYS  68          3HZ       LYS  68  11.943   3.576  13.251
  559    H    LYS  69           H        LYS  69  15.589  -1.045   8.823
  560    HA   LYS  69           HA       LYS  69  15.130  -2.661  11.218
  561   1HB   LYS  69          1HB       LYS  69  17.046  -2.635   8.940
  562   2HB   LYS  69          2HB       LYS  69  17.694  -3.160  10.513
  563   1HG   LYS  69          1HG       LYS  69  15.024  -4.273   9.847
  564   2HG   LYS  69          2HG       LYS  69  16.331  -4.791   8.754
  565   1HD   LYS  69          1HD       LYS  69  17.593  -5.738  10.546
  566   2HD   LYS  69          2HD       LYS  69  16.600  -4.923  11.779
  567   1HE   LYS  69          1HE       LYS  69  14.947  -6.496  11.672
  568   2HE   LYS  69          2HE       LYS  69  15.092  -6.674   9.910
  569   1HZ   LYS  69          1HZ       LYS  69  16.977  -7.794  11.855
  570   2HZ   LYS  69          2HZ       LYS  69  15.780  -8.618  11.130
  571   3HZ   LYS  69          3HZ       LYS  69  16.990  -8.018  10.235
  572    H    MET  70           H        MET  70  17.513  -2.692  12.423
  573    HA   MET  70           HA       MET  70  18.362  -0.007  13.123
  574   1HB   MET  70          1HB       MET  70  17.929  -0.406  15.569
  575   2HB   MET  70          2HB       MET  70  16.504  -0.073  14.555
  576   1HG   MET  70          1HG       MET  70  17.200  -2.927  15.037
  577   2HG   MET  70          2HG       MET  70  16.569  -2.004  16.410
  578   1HE   MET  70          1HE       MET  70  14.269  -2.324  16.993
  579   2HE   MET  70          2HE       MET  70  13.133  -3.232  15.964
  580   3HE   MET  70          3HE       MET  70  14.707  -3.945  16.401

  No H/Q in entry =         580
  Start of MODEL   18
    1    H1   ALA   1           H1       ALA   1  -9.350  16.357   2.723
    2    H2   ALA   1           H2       ALA   1 -10.739  17.182   2.517
    3    H3   ALA   1           H3       ALA   1 -10.323  16.029   1.445
    4    HA   ALA   1           HA       ALA   1  -9.930  18.161   0.501
    5   1HB   ALA   1          1HB       ALA   1  -9.744  19.339   2.661
    6   2HB   ALA   1          2HB       ALA   1  -8.354  19.707   1.614
    7   3HB   ALA   1          3HB       ALA   1  -8.173  18.555   2.959
    8    H    SER   2           H        SER   2  -9.228  16.603  -0.998
    9    HA   SER   2           HA       SER   2  -6.563  16.619  -1.771
   10   1HB   SER   2          1HB       SER   2  -6.814  14.870   0.379
   11   2HB   SER   2          2HB       SER   2  -6.980  13.803  -1.037
   12    HG   SER   2           HG       SER   2  -4.728  14.329  -0.190
   13    H    ASN   3           H        ASN   3  -6.163  15.180  -3.574
   14    HA   ASN   3           HA       ASN   3  -8.444  13.809  -4.796
   15   1HB   ASN   3          1HB       ASN   3  -8.062  15.091  -6.944
   16   2HB   ASN   3          2HB       ASN   3  -8.871  15.969  -5.629
   17   2HD2  ASN   3          2HD2      ASN   3  -5.962  15.674  -7.559
   18   1HD2  ASN   3          1HD2      ASN   3  -5.158  17.122  -6.982
   19    H    TYR   4           H        TYR   4  -7.277  11.921  -4.481
   20    HA   TYR   4           HA       TYR   4  -4.619  11.490  -5.246
   21   1HB   TYR   4          1HB       TYR   4  -6.870   9.464  -5.218
   22   2HB   TYR   4          2HB       TYR   4  -5.144   9.171  -4.945
   23    HD1  TYR   4           HD1      TYR   4  -7.275   8.165  -3.174
   24    HD2  TYR   4           HD2      TYR   4  -5.141  11.923  -3.063
   25    HE1  TYR   4           HE1      TYR   4  -7.777   8.382  -0.740
   26    HE2  TYR   4           HE2      TYR   4  -5.645  12.142  -0.619
   27    HH   TYR   4           HH       TYR   4  -6.616  11.268   1.100
   28    H    ASP   5           H        ASP   5  -3.653  11.055  -7.152
   29    HA   ASP   5           HA       ASP   5  -5.015   9.929  -9.419
   30   1HB   ASP   5          1HB       ASP   5  -5.796  12.394  -9.299
   31   2HB   ASP   5          2HB       ASP   5  -4.138  12.805  -9.790
   32    HD2  ASP   5           HD2      ASP   5  -6.003  12.577 -12.811
   33    H    CYS   6           H        CYS   6  -2.937   8.877  -8.258
   34    HA   CYS   6           HA       CYS   6  -0.480   9.790  -9.667
   35   1HB   CYS   6          1HB       CYS   6  -0.630   7.799  -7.403
   36   2HB   CYS   6          2HB       CYS   6   0.738   8.823  -7.906
   37    H    CYS   7           H        CYS   7  -1.336   6.662  -8.162
   38    HA   CYS   7           HA       CYS   7  -0.280   5.002 -10.206
   39   1HB   CYS   7          1HB       CYS   7  -2.337   4.611  -8.024
   40   2HB   CYS   7          2HB       CYS   7  -1.818   3.299  -9.112
   41    H    LEU   8           H        LEU   8  -1.611   3.560 -11.549
   42    HA   LEU   8           HA       LEU   8  -3.076   4.748 -13.475
   43   1HB   LEU   8          1HB       LEU   8  -2.309   2.175 -12.872
   44   2HB   LEU   8          2HB       LEU   8  -4.084   2.050 -12.821
   45    HG   LEU   8           HG       LEU   8  -3.504   3.673 -15.066
   46   1HD1  LEU   8          1HD1      LEU   8  -1.160   2.906 -14.936
   47   2HD1  LEU   8          2HD1      LEU   8  -1.710   1.213 -14.969
   48   3HD1  LEU   8          3HD1      LEU   8  -1.964   2.260 -16.386
   49   1HD2  LEU   8          1HD2      LEU   8  -5.351   2.051 -14.852
   50   2HD2  LEU   8          2HD2      LEU   8  -4.419   1.762 -16.340
   51   3HD2  LEU   8          3HD2      LEU   8  -4.186   0.708 -14.926
   52    H    SER   9           H        SER   9  -4.269   3.765 -10.343
   53    HA   SER   9           HA       SER   9  -6.339   5.495 -10.153
   54   1HB   SER   9          1HB       SER   9  -7.277   2.865 -11.267
   55   2HB   SER   9          2HB       SER   9  -8.244   3.628  -9.982
   56    HG   SER   9           HG       SER   9  -8.572   4.254 -12.406
   57    H    TYR  10           H        TYR  10  -6.523   5.749  -8.003
   58    HA   TYR  10           HA       TYR  10  -5.374   4.355  -5.968
   59   1HB   TYR  10          1HB       TYR  10  -6.634   6.545  -5.902
   60   2HB   TYR  10          2HB       TYR  10  -8.145   5.620  -5.910
   61    HD1  TYR  10           HD1      TYR  10  -9.126   4.972  -3.880
   62    HD2  TYR  10           HD2      TYR  10  -4.912   5.957  -4.034
   63    HE1  TYR  10           HE1      TYR  10  -9.004   4.805  -1.376
   64    HE2  TYR  10           HE2      TYR  10  -4.794   5.815  -1.535
   65    HH   TYR  10           HH       TYR  10  -6.014   5.505   0.393
   66    H    ILE  11           H        ILE  11  -6.236   2.883  -4.295
   67    HA   ILE  11           HA       ILE  11  -7.435   0.585  -5.429
   68    HB   ILE  11           HB       ILE  11  -5.747   0.582  -3.627
   69   1HG1  ILE  11          1HG1      ILE  11  -6.662  -1.277  -2.388
   70   2HG1  ILE  11          2HG1      ILE  11  -8.318  -0.806  -2.841
   71   1HG2  ILE  11          1HG2      ILE  11  -6.596   2.385  -2.204
   72   2HG2  ILE  11          2HG2      ILE  11  -8.029   1.407  -1.810
   73   3HG2  ILE  11          3HG2      ILE  11  -6.419   0.886  -1.273
   74   1HD1  ILE  11          1HD1      ILE  11  -6.156  -1.770  -4.747
   75   2HD1  ILE  11          2HD1      ILE  11  -7.539  -2.732  -4.185
   76   3HD1  ILE  11          3HD1      ILE  11  -7.813  -1.300  -5.199
   77    H    GLN  12           H        GLN  12  -9.313   1.258  -6.359
   78    HA   GLN  12           HA       GLN  12 -11.420   2.534  -5.093
   79   1HB   GLN  12          1HB       GLN  12 -11.349   0.517  -7.338
   80   2HB   GLN  12          2HB       GLN  12 -12.875   1.237  -6.770
   81   1HG   GLN  12          1HG       GLN  12 -11.080   3.394  -7.042
   82   2HG   GLN  12          2HG       GLN  12 -10.812   2.376  -8.473
   83   2HE2  GLN  12          2HE2      GLN  12 -11.986   5.023  -8.378
   84   1HE2  GLN  12          1HE2      GLN  12 -13.613   4.896  -9.012
   85    H    THR  13           H        THR  13 -10.171  -0.553  -4.447
   86    HA   THR  13           HA       THR  13 -12.144  -1.090  -2.452
   87    HB   THR  13           HB       THR  13 -12.152  -2.583  -4.967
   88    HG1  THR  13           HG1      THR  13 -14.379  -2.724  -4.149
   89   1HG2  THR  13          1HG2      THR  13 -12.563  -4.121  -2.386
   90   2HG2  THR  13          2HG2      THR  13 -12.999  -4.698  -4.005
   91   3HG2  THR  13          3HG2      THR  13 -11.295  -4.427  -3.597
   92    HA   PRO  14           HA       PRO  14  -8.209  -2.248  -0.751
   93   1HB   PRO  14          1HB       PRO  14  -9.139  -2.117   1.875
   94   2HB   PRO  14          2HB       PRO  14  -8.456  -0.758   0.924
   95   1HG   PRO  14          1HG       PRO  14 -11.266  -1.301   1.648
   96   2HG   PRO  14          2HG       PRO  14 -10.460   0.269   1.325
   97   1HD   PRO  14          1HD       PRO  14 -12.137  -1.173  -0.453
   98   2HD   PRO  14          2HD       PRO  14 -11.002   0.131  -0.918
   99    H    LEU  15           H        LEU  15  -7.382  -4.148   0.124
  100    HA   LEU  15           HA       LEU  15  -9.374  -6.221   0.725
  101   1HB   LEU  15          1HB       LEU  15  -7.584  -7.695  -0.643
  102   2HB   LEU  15          2HB       LEU  15  -9.087  -7.015  -1.314
  103    HG   LEU  15           HG       LEU  15  -7.194  -4.962  -1.623
  104   1HD1  LEU  15          1HD1      LEU  15  -6.068  -7.701  -2.310
  105   2HD1  LEU  15          2HD1      LEU  15  -5.352  -6.131  -2.754
  106   3HD1  LEU  15          3HD1      LEU  15  -5.458  -6.611  -1.042
  107   1HD2  LEU  15          1HD2      LEU  15  -8.127  -7.117  -3.572
  108   2HD2  LEU  15          2HD2      LEU  15  -9.003  -5.617  -3.184
  109   3HD2  LEU  15          3HD2      LEU  15  -7.429  -5.539  -4.016
  110    HA   PRO  16           HA       PRO  16  -6.852  -7.205   4.124
  111   1HB   PRO  16          1HB       PRO  16  -6.780  -9.946   4.351
  112   2HB   PRO  16          2HB       PRO  16  -8.221  -8.938   4.706
  113   1HG   PRO  16          1HG       PRO  16  -7.609 -10.518   2.231
  114   2HG   PRO  16          2HG       PRO  16  -9.169 -10.371   3.105
  115   1HD   PRO  16          1HD       PRO  16  -8.550  -8.962   0.814
  116   2HD   PRO  16          2HD       PRO  16  -9.627  -8.315   2.089
  117    H    SER  17           H        SER  17  -4.687  -7.521   4.754
  118    HA   SER  17           HA       SER  17  -2.734  -7.659   2.740
  119   1HB   SER  17          1HB       SER  17  -1.085  -7.651   4.474
  120   2HB   SER  17          2HB       SER  17  -2.410  -6.569   4.967
  121    HG   SER  17           HG       SER  17  -1.599  -8.131   6.641
  122    H    ARG  18           H        ARG  18  -4.537 -10.166   4.121
  123    HA   ARG  18           HA       ARG  18  -2.662 -12.329   3.970
  124   1HB   ARG  18          1HB       ARG  18  -5.663 -12.099   4.142
  125   2HB   ARG  18          2HB       ARG  18  -4.875 -13.669   3.858
  126   1HG   ARG  18          1HG       ARG  18  -3.453 -13.201   5.910
  127   2HG   ARG  18          2HG       ARG  18  -4.517 -11.812   6.234
  128   1HD   ARG  18          1HD       ARG  18  -6.480 -13.438   6.127
  129   2HD   ARG  18          2HD       ARG  18  -5.287 -14.754   6.109
  130    HE   ARG  18           HE       ARG  18  -6.041 -13.074   8.341
  131   1HH1  ARG  18          1HH1      ARG  18  -5.169 -13.434  10.387
  132   2HH1  ARG  18          2HH1      ARG  18  -3.760 -14.453  10.571
  133   1HH2  ARG  18          1HH2      ARG  18  -3.443 -15.161   7.174
  134   2HH2  ARG  18          2HH2      ARG  18  -2.795 -15.420   8.772
  135    H    ALA  19           H        ALA  19  -3.997 -10.420   1.550
  136    HA   ALA  19           HA       ALA  19  -3.735 -12.553  -0.489
  137   1HB   ALA  19          1HB       ALA  19  -5.302 -11.192  -1.840
  138   2HB   ALA  19          2HB       ALA  19  -6.031 -11.659  -0.284
  139   3HB   ALA  19          3HB       ALA  19  -5.414 -10.006  -0.517
  140    H    ILE  20           H        ILE  20  -2.030 -10.056   0.894
  141    HA   ILE  20           HA       ILE  20  -1.021  -8.896  -1.617
  142    HB   ILE  20           HB       ILE  20  -0.926  -8.153   1.304
  143   1HG1  ILE  20          1HG1      ILE  20  -1.702  -5.970   0.405
  144   2HG1  ILE  20          2HG1      ILE  20  -1.778  -6.716  -1.209
  145   1HG2  ILE  20          1HG2      ILE  20   1.365  -7.842   0.453
  146   2HG2  ILE  20          2HG2      ILE  20   0.733  -6.877  -0.903
  147   3HG2  ILE  20          3HG2      ILE  20   0.591  -6.273   0.760
  148   1HD1  ILE  20          1HD1      ILE  20  -3.544  -8.224  -0.428
  149   2HD1  ILE  20          2HD1      ILE  20  -3.466  -7.481   1.186
  150   3HD1  ILE  20          3HD1      ILE  20  -4.028  -6.535  -0.202
  151    H    VAL  21           H        VAL  21   0.606  -9.752  -2.533
  152    HA   VAL  21           HA       VAL  21   2.366 -11.588  -1.060
  153    HB   VAL  21           HB       VAL  21   1.164 -11.729  -3.479
  154   1HG1  VAL  21          1HG1      VAL  21   2.612 -10.131  -4.628
  155   2HG1  VAL  21          2HG1      VAL  21   4.044 -11.072  -4.144
  156   3HG1  VAL  21          3HG1      VAL  21   2.861 -11.765  -5.269
  157   1HG2  VAL  21          1HG2      VAL  21   2.102 -13.525  -2.082
  158   2HG2  VAL  21          2HG2      VAL  21   2.602 -13.721  -3.777
  159   3HG2  VAL  21          3HG2      VAL  21   3.747 -13.066  -2.582
  160    H    GLY  22           H        GLY  22   2.454  -8.492  -2.778
  161   1HA   GLY  22          1HA       GLY  22   4.948  -7.836  -3.304
  162   2HA   GLY  22          2HA       GLY  22   4.990  -7.765  -1.527
  163    H    PHE  23           H        PHE  23   5.481  -5.489  -2.015
  164    HA   PHE  23           HA       PHE  23   3.665  -3.654  -3.090
  165   1HB   PHE  23          1HB       PHE  23   2.800  -2.604  -1.056
  166   2HB   PHE  23          2HB       PHE  23   2.155  -4.235  -1.301
  167    HD1  PHE  23           HD1      PHE  23   3.680  -6.172  -0.073
  168    HD2  PHE  23           HD2      PHE  23   3.387  -1.980   0.978
  169    HE1  PHE  23           HE1      PHE  23   4.604  -6.706   2.199
  170    HE2  PHE  23           HE2      PHE  23   4.217  -2.537   3.281
  171    HZ   PHE  23           HZ       PHE  23   4.855  -4.857   3.826
  172    H    THR  24           H        THR  24   4.177  -1.444  -2.564
  173    HA   THR  24           HA       THR  24   6.787  -0.985  -1.245
  174    HB   THR  24           HB       THR  24   6.302   0.327  -3.888
  175    HG1  THR  24           HG1      THR  24   7.328  -1.680  -4.882
  176   1HG2  THR  24          1HG2      THR  24   8.322   0.747  -2.524
  177   2HG2  THR  24          2HG2      THR  24   8.710  -0.989  -2.562
  178   3HG2  THR  24          3HG2      THR  24   8.745  -0.036  -4.063
  179    H    ARG  25           H        ARG  25   7.231   1.328  -0.995
  180    HA   ARG  25           HA       ARG  25   4.803   2.686  -0.057
  181   1HB   ARG  25          1HB       ARG  25   7.748   3.380   0.296
  182   2HB   ARG  25          2HB       ARG  25   6.376   4.176   1.103
  183   1HG   ARG  25          1HG       ARG  25   6.004   1.424   1.580
  184   2HG   ARG  25          2HG       ARG  25   7.750   1.693   1.793
  185   1HD   ARG  25          1HD       ARG  25   5.983   3.717   3.050
  186   2HD   ARG  25          2HD       ARG  25   5.889   2.085   3.744
  187    HE   ARG  25           HE       ARG  25   8.610   2.666   3.445
  188   1HH1  ARG  25          1HH1      ARG  25   9.897   3.362   5.203
  189   2HH1  ARG  25          2HH1      ARG  25   9.144   4.108   6.593
  190   1HH2  ARG  25          1HH2      ARG  25   5.896   3.911   5.320
  191   2HH2  ARG  25          2HH2      ARG  25   6.899   4.417   6.658
  192    H    GLN  26           H        GLN  26   4.064   4.630  -0.819
  193    HA   GLN  26           HA       GLN  26   5.580   5.837  -3.066
  194   1HB   GLN  26          1HB       GLN  26   3.516   4.473  -3.731
  195   2HB   GLN  26          2HB       GLN  26   2.561   5.730  -2.907
  196   1HG   GLN  26          1HG       GLN  26   3.847   7.429  -4.367
  197   2HG   GLN  26          2HG       GLN  26   4.382   6.032  -5.325
  198   2HE2  GLN  26          2HE2      GLN  26   1.362   7.092  -3.758
  199   1HE2  GLN  26          1HE2      GLN  26   0.330   6.881  -5.154
  200    H    MET  27           H        MET  27   6.428   7.501  -2.004
  201    HA   MET  27           HA       MET  27   5.097   9.097  -0.041
  202   1HB   MET  27          1HB       MET  27   7.034  10.618  -0.444
  203   2HB   MET  27          2HB       MET  27   7.473   8.942  -0.040
  204   1HG   MET  27          1HG       MET  27   8.686   8.786  -1.910
  205   2HG   MET  27          2HG       MET  27   7.258   9.156  -2.892
  206   1HE   MET  27          1HE       MET  27   9.074  10.015  -4.584
  207   2HE   MET  27          2HE       MET  27   7.455  10.753  -4.572
  208   3HE   MET  27          3HE       MET  27   8.901  11.781  -4.764
  209    H    ALA  28           H        ALA  28   5.083  11.595  -0.447
  210    HA   ALA  28           HA       ALA  28   3.362  12.116  -2.792
  211   1HB   ALA  28          1HB       ALA  28   3.644  13.503  -0.084
  212   2HB   ALA  28          2HB       ALA  28   2.332  12.392  -0.545
  213   3HB   ALA  28          3HB       ALA  28   2.502  13.958  -1.373
  214    H    ASP  29           H        ASP  29   4.520  13.071  -4.394
  215    HA   ASP  29           HA       ASP  29   5.670  15.481  -4.311
  216   1HB   ASP  29          1HB       ASP  29   7.645  13.577  -3.292
  217   2HB   ASP  29          2HB       ASP  29   8.198  14.385  -4.775
  218    HD2  ASP  29           HD2      ASP  29   8.750  16.348  -1.633
  219    H    GLU  30           H        GLU  30   6.779  12.296  -5.532
  220    HA   GLU  30           HA       GLU  30   7.524  13.135  -8.121
  221   1HB   GLU  30          1HB       GLU  30   7.915  10.937  -6.645
  222   2HB   GLU  30          2HB       GLU  30   6.586  10.339  -7.666
  223   1HG   GLU  30          1HG       GLU  30   8.291  11.685  -9.443
  224   2HG   GLU  30          2HG       GLU  30   9.392  10.829  -8.343
  225    H    ALA  31           H        ALA  31   5.938  10.886  -9.534
  226    HA   ALA  31           HA       ALA  31   3.909  12.292 -10.777
  227   1HB   ALA  31          1HB       ALA  31   3.130  10.065 -11.497
  228   2HB   ALA  31          2HB       ALA  31   4.904  10.186 -11.576
  229   3HB   ALA  31          3HB       ALA  31   4.131   9.307 -10.234
  230    H    CYS  32           H        CYS  32   3.934  10.917  -7.592
  231    HA   CYS  32           HA       CYS  32   1.022  11.188  -7.286
  232   1HB   CYS  32          1HB       CYS  32   2.447   9.111  -6.540
  233   2HB   CYS  32          2HB       CYS  32   2.940  10.171  -5.196
  234    H    ASP  33           H        ASP  33   0.164  12.622  -5.924
  235    HA   ASP  33           HA       ASP  33   1.972  14.661  -4.776
  236   1HB   ASP  33          1HB       ASP  33   0.139  15.298  -6.416
  237   2HB   ASP  33          2HB       ASP  33  -1.035  14.801  -5.179
  238    HD2  ASP  33           HD2      ASP  33   1.160  18.044  -4.403
  239    H    ILE  34           H        ILE  34   0.306  11.871  -3.858
  240    HA   ILE  34           HA       ILE  34   0.106  12.787  -1.111
  241    HB   ILE  34           HB       ILE  34  -1.914  11.908  -0.632
  242   1HG1  ILE  34          1HG1      ILE  34  -1.719   9.759  -1.714
  243   2HG1  ILE  34          2HG1      ILE  34  -3.340  10.491  -1.801
  244   1HG2  ILE  34          1HG2      ILE  34  -2.123  14.020  -1.796
  245   2HG2  ILE  34          2HG2      ILE  34  -2.349  13.169  -3.344
  246   3HG2  ILE  34          3HG2      ILE  34  -3.568  13.024  -2.063
  247   1HD1  ILE  34          1HD1      ILE  34  -1.335  10.330  -4.066
  248   2HD1  ILE  34          2HD1      ILE  34  -2.778   9.314  -3.899
  249   3HD1  ILE  34          3HD1      ILE  34  -2.956  11.060  -4.154
  250    H    ASN  35           H        ASN  35  -0.113  10.732   0.367
  251    HA   ASN  35           HA       ASN  35   2.002   8.902  -0.444
  252   1HB   ASN  35          1HB       ASN  35   0.314   9.002   2.081
  253   2HB   ASN  35          2HB       ASN  35   1.866   8.165   1.856
  254   2HD2  ASN  35          2HD2      ASN  35   3.618   9.162   2.559
  255   1HD2  ASN  35          1HD2      ASN  35   3.773  10.879   2.865
  256    H    ALA  36           H        ALA  36   1.631   6.896  -1.230
  257    HA   ALA  36           HA       ALA  36  -0.926   5.626  -0.628
  258   1HB   ALA  36          1HB       ALA  36  -1.277   4.816  -2.920
  259   2HB   ALA  36          2HB       ALA  36   0.119   5.768  -3.470
  260   3HB   ALA  36          3HB       ALA  36  -1.325   6.591  -2.832
  261    H    ILE  37           H        ILE  37  -0.759   3.230  -1.643
  262    HA   ILE  37           HA       ILE  37   1.879   2.119  -0.812
  263    HB   ILE  37           HB       ILE  37  -0.856   0.992  -0.153
  264   1HG1  ILE  37          1HG1      ILE  37  -0.308   3.040   1.118
  265   2HG1  ILE  37          2HG1      ILE  37  -0.650   1.577   2.072
  266   1HG2  ILE  37          1HG2      ILE  37   0.831  -0.737  -0.499
  267   2HG2  ILE  37          2HG2      ILE  37   1.889   0.036   0.706
  268   3HG2  ILE  37          3HG2      ILE  37   0.340  -0.675   1.208
  269   1HD1  ILE  37          1HD1      ILE  37   2.062   2.822   1.637
  270   2HD1  ILE  37          2HD1      ILE  37   1.111   2.935   3.125
  271   3HD1  ILE  37          3HD1      ILE  37   1.718   1.359   2.591
  272    H    ILE  38           H        ILE  38   2.577   1.612  -2.725
  273    HA   ILE  38           HA       ILE  38   1.031   0.549  -4.910
  274    HB   ILE  38           HB       ILE  38   3.953   1.008  -4.320
  275   1HG1  ILE  38          1HG1      ILE  38   2.366   2.089  -6.639
  276   2HG1  ILE  38          2HG1      ILE  38   2.105   2.774  -5.017
  277   1HG2  ILE  38          1HG2      ILE  38   3.870  -0.999  -5.746
  278   2HG2  ILE  38          2HG2      ILE  38   2.815  -0.139  -6.892
  279   3HG2  ILE  38          3HG2      ILE  38   4.492   0.394  -6.654
  280   1HD1  ILE  38          1HD1      ILE  38   4.791   2.559  -6.447
  281   2HD1  ILE  38          2HD1      ILE  38   3.835   4.047  -6.254
  282   3HD1  ILE  38          3HD1      ILE  38   4.529   3.244  -4.826
  283    H    PHE  39           H        PHE  39  -0.082  -1.089  -3.756
  284    HA   PHE  39           HA       PHE  39   1.205  -3.410  -2.644
  285   1HB   PHE  39          1HB       PHE  39  -1.614  -2.702  -3.400
  286   2HB   PHE  39          2HB       PHE  39  -1.175  -4.389  -3.080
  287    HD1  PHE  39           HD1      PHE  39   0.336  -4.740  -0.966
  288    HD2  PHE  39           HD2      PHE  39  -2.320  -1.386  -1.519
  289    HE1  PHE  39           HE1      PHE  39   0.114  -4.522   1.495
  290    HE2  PHE  39           HE2      PHE  39  -2.610  -1.217   0.957
  291    HZ   PHE  39           HZ       PHE  39  -1.406  -2.799   2.453
  292    H    HIS  40           H        HIS  40   1.028  -5.561  -3.515
  293    HA   HIS  40           HA       HIS  40   0.702  -5.865  -6.431
  294   1HB   HIS  40          1HB       HIS  40   3.179  -6.686  -4.865
  295   2HB   HIS  40          2HB       HIS  40   2.865  -7.003  -6.582
  296    HD1  HIS  40           HD1      HIS  40   2.140  -4.210  -7.582
  297    HD2  HIS  40           HD2      HIS  40   4.946  -4.868  -4.663
  298    HE1  HIS  40           HE1      HIS  40   3.800  -2.286  -7.765
  299    HE2  HIS  40           HE2      HIS  40   5.248  -2.546  -5.671
  300    H    THR  41           H        THR  41  -1.227  -6.765  -5.173
  301    HA   THR  41           HA       THR  41  -1.130  -9.074  -3.553
  302    HB   THR  41           HB       THR  41  -3.487  -9.348  -4.527
  303    HG1  THR  41           HG1      THR  41  -4.074  -7.476  -5.912
  304   1HG2  THR  41          1HG2      THR  41  -2.629  -6.574  -3.574
  305   2HG2  THR  41          2HG2      THR  41  -4.290  -7.215  -3.531
  306   3HG2  THR  41          3HG2      THR  41  -3.026  -7.945  -2.511
  307    H    LYS  42           H        LYS  42  -1.970 -11.240  -4.260
  308    HA   LYS  42           HA       LYS  42  -0.217 -12.144  -6.423
  309   1HB   LYS  42          1HB       LYS  42  -0.594 -14.345  -5.580
  310   2HB   LYS  42          2HB       LYS  42  -0.277 -13.252  -4.211
  311   1HG   LYS  42          1HG       LYS  42  -2.083 -14.236  -3.280
  312   2HG   LYS  42          2HG       LYS  42  -3.023 -13.181  -4.363
  313   1HD   LYS  42          1HD       LYS  42  -2.894 -15.008  -6.115
  314   2HD   LYS  42          2HD       LYS  42  -2.161 -16.059  -4.880
  315   1HE   LYS  42          1HE       LYS  42  -4.342 -15.169  -3.506
  316   2HE   LYS  42          2HE       LYS  42  -4.984 -15.126  -5.163
  317   1HZ   LYS  42          1HZ       LYS  42  -4.244 -17.396  -5.415
  318   2HZ   LYS  42          2HZ       LYS  42  -3.687 -17.396  -3.870
  319   3HZ   LYS  42          3HZ       LYS  42  -5.288 -17.248  -4.166
  320    H    LYS  43           H        LYS  43  -3.400 -11.082  -6.193
  321    HA   LYS  43           HA       LYS  43  -4.095 -12.336  -8.749
  322   1HB   LYS  43          1HB       LYS  43  -5.128 -13.465  -6.583
  323   2HB   LYS  43          2HB       LYS  43  -6.241 -12.077  -6.659
  324   1HG   LYS  43          1HG       LYS  43  -7.392 -13.594  -7.973
  325   2HG   LYS  43          2HG       LYS  43  -6.406 -12.791  -9.219
  326   1HD   LYS  43          1HD       LYS  43  -4.665 -14.696  -8.449
  327   2HD   LYS  43          2HD       LYS  43  -6.188 -15.534  -8.067
  328   1HE   LYS  43          1HE       LYS  43  -5.938 -14.239 -10.753
  329   2HE   LYS  43          2HE       LYS  43  -5.008 -15.723 -10.458
  330   1HZ   LYS  43          1HZ       LYS  43  -7.909 -15.448 -10.158
  331   2HZ   LYS  43          2HZ       LYS  43  -7.118 -16.167 -11.385
  332   3HZ   LYS  43          3HZ       LYS  43  -7.031 -16.810  -9.887
  333    H    ARG  44           H        ARG  44  -3.055  -9.714  -8.232
  334    HA   ARG  44           HA       ARG  44  -4.870  -8.162  -9.707
  335   1HB   ARG  44          1HB       ARG  44  -5.203  -7.943  -6.834
  336   2HB   ARG  44          2HB       ARG  44  -4.573  -6.419  -7.506
  337   1HG   ARG  44          1HG       ARG  44  -6.479  -6.454  -9.145
  338   2HG   ARG  44          2HG       ARG  44  -7.143  -7.842  -8.248
  339   1HD   ARG  44          1HD       ARG  44  -7.890  -6.483  -6.580
  340   2HD   ARG  44          2HD       ARG  44  -6.290  -5.729  -6.414
  341    HE   ARG  44           HE       ARG  44  -7.140  -4.620  -8.708
  342   1HH1  ARG  44          1HH1      ARG  44  -8.428  -2.793  -9.021
  343   2HH1  ARG  44          2HH1      ARG  44  -9.576  -2.306  -7.795
  344   1HH2  ARG  44          1HH2      ARG  44  -8.813  -4.934  -5.617
  345   2HH2  ARG  44          2HH2      ARG  44  -9.796  -3.512  -5.871
  346    H    LYS  45           H        LYS  45  -3.745  -6.641 -10.727
  347    HA   LYS  45           HA       LYS  45  -0.925  -6.491 -10.544
  348   1HB   LYS  45          1HB       LYS  45  -2.959  -5.567 -12.272
  349   2HB   LYS  45          2HB       LYS  45  -2.085  -4.113 -11.730
  350   1HG   LYS  45          1HG       LYS  45   0.000  -5.805 -12.106
  351   2HG   LYS  45          2HG       LYS  45  -1.133  -6.446 -13.320
  352   1HD   LYS  45          1HD       LYS  45  -0.882  -3.512 -13.366
  353   2HD   LYS  45          2HD       LYS  45   0.640  -4.369 -13.708
  354   1HE   LYS  45          1HE       LYS  45  -0.923  -5.795 -15.327
  355   2HE   LYS  45          2HE       LYS  45  -1.925  -4.329 -15.274
  356   1HZ   LYS  45          1HZ       LYS  45   0.019  -3.074 -15.910
  357   2HZ   LYS  45          2HZ       LYS  45   0.928  -4.432 -15.940
  358   3HZ   LYS  45          3HZ       LYS  45  -0.289  -4.231 -17.005
  359    H    SER  46           H        SER  46   0.020  -4.003 -10.456
  360    HA   SER  46           HA       SER  46   0.342  -3.367  -7.812
  361   1HB   SER  46          1HB       SER  46   1.341  -1.360  -8.448
  362   2HB   SER  46          2HB       SER  46   1.616  -2.451  -9.828
  363    HG   SER  46           HG       SER  46   0.865  -0.246 -10.386
  364    H    VAL  47           H        VAL  47  -0.730  -2.377  -6.278
  365    HA   VAL  47           HA       VAL  47  -3.316  -1.038  -6.981
  366    HB   VAL  47           HB       VAL  47  -2.537  -3.090  -5.010
  367   1HG1  VAL  47          1HG1      VAL  47  -3.070  -1.337  -3.448
  368   2HG1  VAL  47          2HG1      VAL  47  -4.645  -1.086  -4.240
  369   3HG1  VAL  47          3HG1      VAL  47  -4.306  -2.610  -3.399
  370   1HG2  VAL  47          1HG2      VAL  47  -3.844  -3.627  -6.976
  371   2HG2  VAL  47          2HG2      VAL  47  -4.776  -3.947  -5.496
  372   3HG2  VAL  47          3HG2      VAL  47  -5.117  -2.494  -6.462
  373    H    CYS  48           H        CYS  48  -3.742   0.948  -5.994
  374    HA   CYS  48           HA       CYS  48  -1.441   2.042  -4.455
  375   1HB   CYS  48          1HB       CYS  48  -2.652   2.989  -6.785
  376   2HB   CYS  48          2HB       CYS  48  -3.333   3.998  -5.483
  377    H    ALA  49           H        ALA  49  -2.026   1.703  -2.330
  378    HA   ALA  49           HA       ALA  49  -4.757   2.608  -1.590
  379   1HB   ALA  49          1HB       ALA  49  -4.245   0.220  -1.355
  380   2HB   ALA  49          2HB       ALA  49  -4.495   0.988   0.233
  381   3HB   ALA  49          3HB       ALA  49  -2.845   0.613  -0.329
  382    H    ASP  50           H        ASP  50  -4.990   4.338  -0.216
  383    HA   ASP  50           HA       ASP  50  -2.663   5.867   0.501
  384   1HB   ASP  50          1HB       ASP  50  -5.087   6.649   0.244
  385   2HB   ASP  50          2HB       ASP  50  -5.334   6.041   1.895
  386    HD2  ASP  50           HD2      ASP  50  -4.597   9.126   2.964
  387    HA   PRO  51           HA       PRO  51  -1.477   3.640   4.171
  388   1HB   PRO  51          1HB       PRO  51   0.474   5.296   5.131
  389   2HB   PRO  51          2HB       PRO  51   0.654   4.215   3.711
  390   1HG   PRO  51          1HG       PRO  51   0.121   7.157   3.765
  391   2HG   PRO  51          2HG       PRO  51   1.158   6.225   2.635
  392   1HD   PRO  51          1HD       PRO  51  -1.444   7.112   2.099
  393   2HD   PRO  51          2HD       PRO  51  -0.661   5.722   1.287
  394    H    LYS  52           H        LYS  52  -3.894   4.732   4.467
  395    HA   LYS  52           HA       LYS  52  -3.836   5.841   7.200
  396   1HB   LYS  52          1HB       LYS  52  -5.655   6.885   5.011
  397   2HB   LYS  52          2HB       LYS  52  -5.504   7.488   6.680
  398   1HG   LYS  52          1HG       LYS  52  -3.418   7.682   4.491
  399   2HG   LYS  52          2HG       LYS  52  -4.442   9.002   5.106
  400   1HD   LYS  52          1HD       LYS  52  -2.967   7.744   7.266
  401   2HD   LYS  52          2HD       LYS  52  -1.871   8.297   5.978
  402   1HE   LYS  52          1HE       LYS  52  -2.550  10.539   6.196
  403   2HE   LYS  52          2HE       LYS  52  -4.089  10.101   6.969
  404   1HZ   LYS  52          1HZ       LYS  52  -1.425   9.658   8.115
  405   2HZ   LYS  52          2HZ       LYS  52  -2.470  10.830   8.563
  406   3HZ   LYS  52          3HZ       LYS  52  -2.847   9.262   8.821
  407    H    GLN  53           H        GLN  53  -4.281   3.160   6.038
  408    HA   GLN  53           HA       GLN  53  -7.018   2.706   7.030
  409   1HB   GLN  53          1HB       GLN  53  -5.763   1.656   4.500
  410   2HB   GLN  53          2HB       GLN  53  -6.954   0.667   5.380
  411   1HG   GLN  53          1HG       GLN  53  -8.407   2.825   5.407
  412   2HG   GLN  53          2HG       GLN  53  -7.308   3.410   4.138
  413   2HE2  GLN  53          2HE2      GLN  53  -8.442   3.292   2.293
  414   1HE2  GLN  53          1HE2      GLN  53  -9.288   1.874   1.706
  415    H    ASN  54           H        ASN  54  -7.202   0.120   7.321
  416    HA   ASN  54           HA       ASN  54  -5.213  -0.541   9.324
  417   1HB   ASN  54          1HB       ASN  54  -7.949  -1.142   8.788
  418   2HB   ASN  54          2HB       ASN  54  -7.064  -2.683   8.776
  419   2HD2  ASN  54          2HD2      ASN  54  -8.485  -3.004  10.645
  420   1HD2  ASN  54          1HD2      ASN  54  -7.904  -2.503  12.216
  421    H    TRP  55           H        TRP  55  -6.590  -2.627   6.696
  422    HA   TRP  55           HA       TRP  55  -4.622  -4.477   6.494
  423   1HB   TRP  55          1HB       TRP  55  -5.430  -4.939   4.300
  424   2HB   TRP  55          2HB       TRP  55  -6.804  -4.361   5.252
  425    HD1  TRP  55           HD1      TRP  55  -7.493  -1.705   4.797
  426    HE1  TRP  55           HE1      TRP  55  -7.484  -0.372   2.667
  427    HE3  TRP  55           HE3      TRP  55  -4.334  -4.645   2.140
  428    HZ2  TRP  55           HZ2      TRP  55  -6.309  -0.557   0.080
  429    HZ3  TRP  55           HZ3      TRP  55  -4.179  -4.281  -0.318
  430    HH2  TRP  55           HH2      TRP  55  -5.170  -2.255  -1.348
  431    H    VAL  56           H        VAL  56  -4.650  -1.299   4.863
  432    HA   VAL  56           HA       VAL  56  -2.194  -1.406   3.506
  433    HB   VAL  56           HB       VAL  56  -3.944   0.743   4.677
  434   1HG1  VAL  56          1HG1      VAL  56  -1.653   1.633   4.843
  435   2HG1  VAL  56          2HG1      VAL  56  -1.372   1.222   3.134
  436   3HG1  VAL  56          3HG1      VAL  56  -2.564   2.467   3.566
  437   1HG2  VAL  56          1HG2      VAL  56  -4.612  -0.402   2.600
  438   2HG2  VAL  56          2HG2      VAL  56  -4.233   1.307   2.290
  439   3HG2  VAL  56          3HG2      VAL  56  -3.058   0.044   1.857
  440    H    LYS  57           H        LYS  57  -2.947  -0.170   6.822
  441    HA   LYS  57           HA       LYS  57  -0.306   0.511   7.508
  442   1HB   LYS  57          1HB       LYS  57  -2.911   0.163   8.870
  443   2HB   LYS  57          2HB       LYS  57  -1.480  -0.112   9.890
  444   1HG   LYS  57          1HG       LYS  57  -0.947   2.182   8.265
  445   2HG   LYS  57          2HG       LYS  57  -2.576   2.388   8.955
  446   1HD   LYS  57          1HD       LYS  57  -0.773   3.349  10.375
  447   2HD   LYS  57          2HD       LYS  57  -1.722   2.088  11.196
  448   1HE   LYS  57          1HE       LYS  57   0.117   0.867  11.570
  449   2HE   LYS  57          2HE       LYS  57   0.553   0.906   9.848
  450   1HZ   LYS  57          1HZ       LYS  57   1.519   3.053  10.231
  451   2HZ   LYS  57          2HZ       LYS  57   1.147   2.952  11.839
  452   3HZ   LYS  57          3HZ       LYS  57   2.209   1.895  11.172
  453    H    ARG  58           H        ARG  58  -2.215  -2.491   8.253
  454    HA   ARG  58           HA       ARG  58  -0.278  -3.973   9.557
  455   1HB   ARG  58          1HB       ARG  58  -2.494  -4.757   7.646
  456   2HB   ARG  58          2HB       ARG  58  -1.484  -5.967   8.474
  457   1HG   ARG  58          1HG       ARG  58  -2.824  -3.802  10.077
  458   2HG   ARG  58          2HG       ARG  58  -3.770  -5.206   9.527
  459   1HD   ARG  58          1HD       ARG  58  -1.142  -5.807  10.789
  460   2HD   ARG  58          2HD       ARG  58  -2.396  -5.152  11.865
  461    HE   ARG  58           HE       ARG  58  -3.664  -7.090  10.366
  462   1HH1  ARG  58          1HH1      ARG  58  -4.061  -9.191  11.092
  463   2HH1  ARG  58          2HH1      ARG  58  -3.021  -9.907  12.303
  464   1HH2  ARG  58          1HH2      ARG  58  -0.937  -7.118  12.597
  465   2HH2  ARG  58          2HH2      ARG  58  -1.264  -8.741  13.150
  466    H    ALA  59           H        ALA  59  -0.946  -4.103   5.970
  467    HA   ALA  59           HA       ALA  59   1.227  -5.745   5.333
  468   1HB   ALA  59          1HB       ALA  59  -0.080  -3.500   3.758
  469   2HB   ALA  59          2HB       ALA  59   0.902  -4.823   3.079
  470   3HB   ALA  59          3HB       ALA  59  -0.658  -5.180   3.862
  471    H    VAL  60           H        VAL  60   1.084  -2.152   5.646
  472    HA   VAL  60           HA       VAL  60   3.826  -1.727   5.023
  473    HB   VAL  60           HB       VAL  60   1.597  -0.143   6.126
  474   1HG1  VAL  60          1HG1      VAL  60   4.447   0.878   6.404
  475   2HG1  VAL  60          2HG1      VAL  60   2.983   1.863   6.589
  476   3HG1  VAL  60          3HG1      VAL  60   3.317   0.559   7.743
  477   1HG2  VAL  60          1HG2      VAL  60   2.173  -0.392   3.738
  478   2HG2  VAL  60          2HG2      VAL  60   2.376   1.296   4.267
  479   3HG2  VAL  60          3HG2      VAL  60   3.802   0.251   4.060
  480    H    ASN  61           H        ASN  61   2.170  -2.557   8.041
  481    HA   ASN  61           HA       ASN  61   4.138  -1.997   9.898
  482   1HB   ASN  61          1HB       ASN  61   1.761  -2.810  10.286
  483   2HB   ASN  61          2HB       ASN  61   2.333  -4.448   9.910
  484   2HD2  ASN  61          2HD2      ASN  61   3.870  -5.453  11.328
  485   1HD2  ASN  61          1HD2      ASN  61   4.086  -4.893  12.975
  486    H    LEU  62           H        LEU  62   3.567  -5.215   8.286
  487    HA   LEU  62           HA       LEU  62   5.948  -6.408   9.165
  488   1HB   LEU  62          1HB       LEU  62   4.231  -6.905   6.742
  489   2HB   LEU  62          2HB       LEU  62   5.724  -7.830   7.035
  490    HG   LEU  62           HG       LEU  62   4.584  -8.005   9.490
  491   1HD1  LEU  62          1HD1      LEU  62   2.265  -7.977   7.507
  492   2HD1  LEU  62          2HD1      LEU  62   2.164  -8.481   9.210
  493   3HD1  LEU  62          3HD1      LEU  62   2.536  -6.790   8.804
  494   1HD2  LEU  62          1HD2      LEU  62   5.434  -9.848   8.069
  495   2HD2  LEU  62          2HD2      LEU  62   3.852 -10.261   8.772
  496   3HD2  LEU  62          3HD2      LEU  62   3.963  -9.755   7.069
  497    H    LEU  63           H        LEU  63   5.375  -4.328   6.311
  498    HA   LEU  63           HA       LEU  63   8.025  -4.476   5.260
  499   1HB   LEU  63          1HB       LEU  63   6.621  -3.651   3.723
  500   2HB   LEU  63          2HB       LEU  63   5.622  -2.798   4.924
  501    HG   LEU  63           HG       LEU  63   8.296  -1.666   4.233
  502   1HD1  LEU  63          1HD1      LEU  63   7.329  -2.216   2.044
  503   2HD1  LEU  63          2HD1      LEU  63   5.824  -1.382   2.494
  504   3HD1  LEU  63          3HD1      LEU  63   7.333  -0.459   2.312
  505   1HD2  LEU  63          1HD2      LEU  63   6.905  -0.652   5.995
  506   2HD2  LEU  63          2HD2      LEU  63   7.084   0.453   4.612
  507   3HD2  LEU  63          3HD2      LEU  63   5.571  -0.456   4.834
  508    H    SER  64           H        SER  64   6.546  -2.480   7.823
  509    HA   SER  64           HA       SER  64   8.546  -0.525   8.013
  510   1HB   SER  64          1HB       SER  64   7.422   0.251   9.819
  511   2HB   SER  64          2HB       SER  64   6.170  -0.902   9.297
  512    HG   SER  64           HG       SER  64   6.700  -1.120  11.586
  513    H    LEU  65           H        LEU  65   8.267  -3.821   9.417
  514    HA   LEU  65           HA       LEU  65  10.789  -3.543  10.834
  515   1HB   LEU  65          1HB       LEU  65   9.056  -5.960  10.232
  516   2HB   LEU  65          2HB       LEU  65  10.461  -5.946  11.323
  517    HG   LEU  65           HG       LEU  65   8.389  -3.859  11.784
  518   1HD1  LEU  65          1HD1      LEU  65   6.999  -5.797  11.251
  519   2HD1  LEU  65          2HD1      LEU  65   7.877  -6.772  12.456
  520   3HD1  LEU  65          3HD1      LEU  65   6.885  -5.390  12.980
  521   1HD2  LEU  65          1HD2      LEU  65  10.346  -4.007  13.228
  522   2HD2  LEU  65          2HD2      LEU  65   8.856  -4.320  14.147
  523   3HD2  LEU  65          3HD2      LEU  65   9.906  -5.674  13.671
  524    H    ARG  66           H        ARG  66   9.824  -4.382   7.618
  525    HA   ARG  66           HA       ARG  66  12.236  -5.855   6.920
  526   1HB   ARG  66          1HB       ARG  66   9.996  -6.389   5.959
  527   2HB   ARG  66          2HB       ARG  66  10.002  -4.801   5.156
  528   1HG   ARG  66          1HG       ARG  66  10.853  -6.005   3.422
  529   2HG   ARG  66          2HG       ARG  66  12.386  -5.770   4.298
  530   1HD   ARG  66          1HD       ARG  66  11.816  -7.926   5.568
  531   2HD   ARG  66          2HD       ARG  66  10.540  -8.183   4.358
  532    HE   ARG  66           HE       ARG  66  12.831  -7.701   2.892
  533   1HH1  ARG  66          1HH1      ARG  66  14.248  -9.320   2.130
  534   2HH1  ARG  66          2HH1      ARG  66  14.324 -10.866   2.942
  535   1HH2  ARG  66          1HH2      ARG  66  11.919 -10.058   5.341
  536   2HH2  ARG  66          2HH2      ARG  66  13.016 -11.283   4.746
  537    H    VAL  67           H        VAL  67  10.701  -2.865   5.571
  538    HA   VAL  67           HA       VAL  67  13.297  -1.896   4.570
  539    HB   VAL  67           HB       VAL  67  10.443  -0.952   4.085
  540   1HG1  VAL  67          1HG1      VAL  67  12.078   0.869   3.719
  541   2HG1  VAL  67          2HG1      VAL  67  13.001  -0.185   2.621
  542   3HG1  VAL  67          3HG1      VAL  67  11.368   0.346   2.179
  543   1HG2  VAL  67          1HG2      VAL  67  10.897  -3.178   3.091
  544   2HG2  VAL  67          2HG2      VAL  67  10.711  -1.949   1.822
  545   3HG2  VAL  67          3HG2      VAL  67  12.332  -2.517   2.272
  546    H    LYS  68           H        LYS  68  13.004  -2.001   7.373
  547    HA   LYS  68           HA       LYS  68  13.949   0.476   8.134
  548   1HB   LYS  68          1HB       LYS  68  11.062   0.519   8.134
  549   2HB   LYS  68          2HB       LYS  68  11.669   0.607   9.804
  550   1HG   LYS  68          1HG       LYS  68  13.285   2.413   8.878
  551   2HG   LYS  68          2HG       LYS  68  12.158   2.486   7.503
  552   1HD   LYS  68          1HD       LYS  68  10.336   3.130   8.888
  553   2HD   LYS  68          2HD       LYS  68  11.183   2.634  10.373
  554   1HE   LYS  68          1HE       LYS  68  12.742   4.440  10.209
  555   2HE   LYS  68          2HE       LYS  68  12.288   4.781   8.525
  556   1HZ   LYS  68          1HZ       LYS  68  10.553   5.095  10.861
  557   2HZ   LYS  68          2HZ       LYS  68  11.302   6.290  10.034
  558   3HZ   LYS  68          3HZ       LYS  68  10.147   5.407   9.294
  559    H    LYS  69           H        LYS  69  15.338  -1.194   8.869
  560    HA   LYS  69           HA       LYS  69  14.844  -3.210  10.659
  561   1HB   LYS  69          1HB       LYS  69  17.087  -3.235  11.106
  562   2HB   LYS  69          2HB       LYS  69  17.046  -2.339   9.567
  563   1HG   LYS  69          1HG       LYS  69  17.352  -0.234  10.732
  564   2HG   LYS  69          2HG       LYS  69  17.243  -1.050  12.311
  565   1HD   LYS  69          1HD       LYS  69  19.231  -2.479  11.037
  566   2HD   LYS  69          2HD       LYS  69  19.510  -0.823  10.448
  567   1HE   LYS  69          1HE       LYS  69  19.587   0.006  12.755
  568   2HE   LYS  69          2HE       LYS  69  19.236  -1.623  13.372
  569   1HZ   LYS  69          1HZ       LYS  69  21.249  -2.363  12.253
  570   2HZ   LYS  69          2HZ       LYS  69  21.565  -0.811  11.790
  571   3HZ   LYS  69          3HZ       LYS  69  21.569  -1.209  13.374
  572    H    MET  70           H        MET  70  15.297  -3.335  13.002
  573    HA   MET  70           HA       MET  70  13.851  -1.179  14.386
  574   1HB   MET  70          1HB       MET  70  13.731  -2.891  16.244
  575   2HB   MET  70          2HB       MET  70  12.900  -3.339  14.736
  576   1HG   MET  70          1HG       MET  70  14.349  -5.049  14.280
  577   2HG   MET  70          2HG       MET  70  15.743  -4.196  14.961
  578   1HE   MET  70          1HE       MET  70  12.495  -6.196  15.755
  579   2HE   MET  70          2HE       MET  70  13.853  -7.204  15.200
  580   3HE   MET  70          3HE       MET  70  13.227  -7.390  16.857

  No H/Q in entry =         580
  Start of MODEL   19
    1    H1   ALA   1           H1       ALA   1 -13.811  20.182  -9.215
    2    H2   ALA   1           H2       ALA   1 -14.287  19.137 -10.375
    3    H3   ALA   1           H3       ALA   1 -14.169  18.632  -8.836
    4    HA   ALA   1           HA       ALA   1 -12.322  17.814 -10.060
    5   1HB   ALA   1          1HB       ALA   1 -11.846  20.761 -10.656
    6   2HB   ALA   1          2HB       ALA   1 -10.785  19.414 -11.136
    7   3HB   ALA   1          3HB       ALA   1 -12.427  19.541 -11.813
    8    H    SER   2           H        SER   2 -12.247  17.260  -7.804
    9    HA   SER   2           HA       SER   2  -9.959  18.419  -6.437
   10   1HB   SER   2          1HB       SER   2 -11.233  18.812  -4.310
   11   2HB   SER   2          2HB       SER   2 -11.627  19.957  -5.614
   12    HG   SER   2           HG       SER   2 -13.500  19.047  -4.434
   13    H    ASN   3           H        ASN   3  -9.059  16.426  -6.721
   14    HA   ASN   3           HA       ASN   3  -9.322  14.564  -4.674
   15   1HB   ASN   3          1HB       ASN   3 -11.446  14.116  -6.339
   16   2HB   ASN   3          2HB       ASN   3 -10.205  13.123  -7.133
   17   2HD2  ASN   3          2HD2      ASN   3  -8.689  12.248  -4.998
   18   1HD2  ASN   3          1HD2      ASN   3  -9.651  11.238  -3.939
   19    H    TYR   4           H        TYR   4  -7.414  13.608  -4.559
   20    HA   TYR   4           HA       TYR   4  -5.369  13.913  -6.440
   21   1HB   TYR   4          1HB       TYR   4  -5.589  11.672  -4.409
   22   2HB   TYR   4          2HB       TYR   4  -4.129  12.503  -4.974
   23    HD1  TYR   4           HD1      TYR   4  -3.956  15.077  -4.457
   24    HD2  TYR   4           HD2      TYR   4  -6.658  12.336  -2.456
   25    HE1  TYR   4           HE1      TYR   4  -4.054  16.612  -2.469
   26    HE2  TYR   4           HE2      TYR   4  -6.763  13.876  -0.489
   27    HH   TYR   4           HH       TYR   4  -6.064  15.767   0.397
   28    H    ASP   5           H        ASP   5  -4.511  12.580  -8.019
   29    HA   ASP   5           HA       ASP   5  -5.482   9.895  -8.474
   30   1HB   ASP   5          1HB       ASP   5  -7.322  11.293  -9.432
   31   2HB   ASP   5          2HB       ASP   5  -6.139  12.048 -10.521
   32    HD2  ASP   5           HD2      ASP   5  -7.378   9.528 -12.588
   33    H    CYS   6           H        CYS   6  -3.276   9.533  -8.149
   34    HA   CYS   6           HA       CYS   6  -1.556  10.510 -10.325
   35   1HB   CYS   6          1HB       CYS   6   0.271   9.877  -8.677
   36   2HB   CYS   6          2HB       CYS   6  -0.682  11.363  -8.436
   37    H    CYS   7           H        CYS   7  -1.057   7.680  -8.153
   38    HA   CYS   7           HA       CYS   7  -0.082   5.887  -9.978
   39   1HB   CYS   7          1HB       CYS   7  -0.513   4.287  -8.396
   40   2HB   CYS   7          2HB       CYS   7  -0.557   5.777  -7.421
   41    H    LEU   8           H        LEU   8  -1.212   3.981 -11.058
   42    HA   LEU   8           HA       LEU   8  -2.871   4.536 -13.033
   43   1HB   LEU   8          1HB       LEU   8  -2.595   2.059 -11.358
   44   2HB   LEU   8          2HB       LEU   8  -3.823   2.106 -12.645
   45    HG   LEU   8           HG       LEU   8  -1.172   3.134 -13.449
   46   1HD1  LEU   8          1HD1      LEU   8  -0.452   1.357 -11.924
   47   2HD1  LEU   8          2HD1      LEU   8  -1.508   0.197 -12.765
   48   3HD1  LEU   8          3HD1      LEU   8  -0.122   0.918 -13.617
   49   1HD2  LEU   8          1HD2      LEU   8  -3.024   2.804 -15.016
   50   2HD2  LEU   8          2HD2      LEU   8  -1.638   1.775 -15.442
   51   3HD2  LEU   8          3HD2      LEU   8  -3.054   1.067 -14.630
   52    H    SER   9           H        SER   9  -3.972   4.003  -9.746
   53    HA   SER   9           HA       SER   9  -6.066   5.679  -9.685
   54   1HB   SER   9          1HB       SER   9  -8.008   3.906  -9.561
   55   2HB   SER   9          2HB       SER   9  -7.537   4.582 -11.138
   56    HG   SER   9           HG       SER   9  -7.565   2.375 -11.435
   57    H    TYR  10           H        TYR  10  -6.395   5.997  -7.555
   58    HA   TYR  10           HA       TYR  10  -5.233   4.798  -5.420
   59   1HB   TYR  10          1HB       TYR  10  -6.695   6.833  -5.400
   60   2HB   TYR  10          2HB       TYR  10  -8.114   5.786  -5.568
   61    HD1  TYR  10           HD1      TYR  10  -5.262   6.674  -3.337
   62    HD2  TYR  10           HD2      TYR  10  -9.120   4.726  -3.653
   63    HE1  TYR  10           HE1      TYR  10  -5.367   6.464  -0.843
   64    HE2  TYR  10           HE2      TYR  10  -9.229   4.543  -1.155
   65    HH   TYR  10           HH       TYR  10  -8.184   4.937   0.769
   66    H    ILE  11           H        ILE  11  -5.936   3.203  -3.822
   67    HA   ILE  11           HA       ILE  11  -6.919   0.804  -4.913
   68    HB   ILE  11           HB       ILE  11  -5.439   0.950  -2.984
   69   1HG1  ILE  11          1HG1      ILE  11  -6.344  -0.859  -1.736
   70   2HG1  ILE  11          2HG1      ILE  11  -8.012  -0.398  -2.149
   71   1HG2  ILE  11          1HG2      ILE  11  -6.446   2.858  -1.800
   72   2HG2  ILE  11          2HG2      ILE  11  -7.884   1.876  -1.436
   73   3HG2  ILE  11          3HG2      ILE  11  -6.315   1.450  -0.724
   74   1HD1  ILE  11          1HD1      ILE  11  -5.926  -1.445  -4.092
   75   2HD1  ILE  11          2HD1      ILE  11  -7.292  -2.377  -3.442
   76   3HD1  ILE  11          3HD1      ILE  11  -7.596  -0.984  -4.503
   77    H    GLN  12           H        GLN  12  -8.748   1.418  -6.070
   78    HA   GLN  12           HA       GLN  12 -11.070   2.468  -5.102
   79   1HB   GLN  12          1HB       GLN  12 -12.240   1.362  -6.922
   80   2HB   GLN  12          2HB       GLN  12 -10.664   1.988  -7.461
   81   1HG   GLN  12          1HG       GLN  12  -9.852  -0.081  -7.920
   82   2HG   GLN  12          2HG       GLN  12 -10.678  -0.831  -6.539
   83   2HE2  GLN  12          2HE2      GLN  12 -12.692  -1.739  -6.812
   84   1HE2  GLN  12          1HE2      GLN  12 -13.525  -1.838  -8.350
   85    H    THR  13           H        THR  13  -9.692  -0.528  -4.292
   86    HA   THR  13           HA       THR  13 -11.805  -1.184  -2.462
   87    HB   THR  13           HB       THR  13 -11.480  -2.669  -4.981
   88    HG1  THR  13           HG1      THR  13 -13.789  -2.962  -4.293
   89   1HG2  THR  13          1HG2      THR  13 -12.096  -4.235  -2.459
   90   2HG2  THR  13          2HG2      THR  13 -12.322  -4.824  -4.116
   91   3HG2  THR  13          3HG2      THR  13 -10.688  -4.471  -3.522
   92    HA   PRO  14           HA       PRO  14  -7.943  -2.144  -0.432
   93   1HB   PRO  14          1HB       PRO  14  -9.115  -2.200   2.111
   94   2HB   PRO  14          2HB       PRO  14  -8.429  -0.759   1.288
   95   1HG   PRO  14          1HG       PRO  14 -11.242  -1.488   1.735
   96   2HG   PRO  14          2HG       PRO  14 -10.512   0.133   1.497
   97   1HD   PRO  14          1HD       PRO  14 -11.959  -1.394  -0.415
   98   2HD   PRO  14          2HD       PRO  14 -10.920   0.020  -0.765
   99    H    LEU  15           H        LEU  15  -7.061  -4.056   0.209
  100    HA   LEU  15           HA       LEU  15  -8.941  -6.248   0.755
  101   1HB   LEU  15          1HB       LEU  15  -7.109  -7.607  -0.635
  102   2HB   LEU  15          2HB       LEU  15  -8.550  -6.871  -1.376
  103    HG   LEU  15           HG       LEU  15  -6.431  -4.912  -1.292
  104   1HD1  LEU  15          1HD1      LEU  15  -5.810  -7.597  -2.595
  105   2HD1  LEU  15          2HD1      LEU  15  -4.855  -6.103  -2.775
  106   3HD1  LEU  15          3HD1      LEU  15  -4.962  -6.907  -1.189
  107   1HD2  LEU  15          1HD2      LEU  15  -7.743  -6.495  -3.549
  108   2HD2  LEU  15          2HD2      LEU  15  -8.366  -4.981  -2.852
  109   3HD2  LEU  15          3HD2      LEU  15  -6.822  -4.984  -3.738
  110    HA   PRO  16           HA       PRO  16  -6.356  -7.171   4.134
  111   1HB   PRO  16          1HB       PRO  16  -6.338  -9.918   4.350
  112   2HB   PRO  16          2HB       PRO  16  -7.748  -8.880   4.745
  113   1HG   PRO  16          1HG       PRO  16  -7.247 -10.485   2.257
  114   2HG   PRO  16          2HG       PRO  16  -8.783 -10.273   3.158
  115   1HD   PRO  16          1HD       PRO  16  -8.117  -8.891   0.842
  116   2HD   PRO  16          2HD       PRO  16  -9.195  -8.228   2.108
  117    H    SER  17           H        SER  17  -4.204  -7.610   4.745
  118    HA   SER  17           HA       SER  17  -2.282  -7.703   2.710
  119   1HB   SER  17          1HB       SER  17  -0.636  -7.657   4.339
  120   2HB   SER  17          2HB       SER  17  -2.023  -6.919   5.177
  121    HG   SER  17           HG       SER  17  -0.800  -8.647   6.367
  122    H    ARG  18           H        ARG  18  -4.114 -10.259   4.011
  123    HA   ARG  18           HA       ARG  18  -2.388 -12.493   3.686
  124   1HB   ARG  18          1HB       ARG  18  -5.294 -11.934   4.023
  125   2HB   ARG  18          2HB       ARG  18  -4.868 -13.491   3.275
  126   1HG   ARG  18          1HG       ARG  18  -3.317 -12.722   5.691
  127   2HG   ARG  18          2HG       ARG  18  -5.033 -13.115   5.947
  128   1HD   ARG  18          1HD       ARG  18  -4.706 -15.279   4.789
  129   2HD   ARG  18          2HD       ARG  18  -2.992 -14.887   4.539
  130    HE   ARG  18           HE       ARG  18  -2.556 -15.468   6.676
  131   1HH1  ARG  18          1HH1      ARG  18  -2.935 -16.165   8.809
  132   2HH1  ARG  18          2HH1      ARG  18  -4.566 -16.216   9.436
  133   1HH2  ARG  18          1HH2      ARG  18  -6.056 -15.002   6.515
  134   2HH2  ARG  18          2HH2      ARG  18  -6.318 -15.564   8.147
  135    H    ALA  19           H        ALA  19  -3.741 -10.367   1.380
  136    HA   ALA  19           HA       ALA  19  -3.485 -12.350  -0.795
  137   1HB   ALA  19          1HB       ALA  19  -4.916 -10.801  -2.088
  138   2HB   ALA  19          2HB       ALA  19  -4.995  -9.702  -0.690
  139   3HB   ALA  19          3HB       ALA  19  -5.722 -11.324  -0.589
  140    H    ILE  20           H        ILE  20  -1.860  -9.794   0.776
  141    HA   ILE  20           HA       ILE  20  -0.687  -8.559  -1.597
  142    HB   ILE  20           HB       ILE  20  -0.668  -8.121   1.370
  143   1HG1  ILE  20          1HG1      ILE  20  -1.308  -5.824   0.607
  144   2HG1  ILE  20          2HG1      ILE  20  -1.320  -6.438  -1.064
  145   1HG2  ILE  20          1HG2      ILE  20   1.679  -7.844   0.666
  146   2HG2  ILE  20          2HG2      ILE  20   1.160  -6.735  -0.628
  147   3HG2  ILE  20          3HG2      ILE  20   0.957  -6.275   1.077
  148   1HD1  ILE  20          1HD1      ILE  20  -3.192  -7.287   1.156
  149   2HD1  ILE  20          2HD1      ILE  20  -3.613  -6.206  -0.183
  150   3HD1  ILE  20          3HD1      ILE  20  -3.204  -7.897  -0.516
  151    H    VAL  21           H        VAL  21   0.713  -9.627  -2.643
  152    HA   VAL  21           HA       VAL  21   2.454 -11.563  -1.340
  153    HB   VAL  21           HB       VAL  21   1.279 -11.311  -3.824
  154   1HG1  VAL  21          1HG1      VAL  21   3.085  -9.959  -4.763
  155   2HG1  VAL  21          2HG1      VAL  21   4.273 -11.184  -4.256
  156   3HG1  VAL  21          3HG1      VAL  21   3.073 -11.571  -5.500
  157   1HG2  VAL  21          1HG2      VAL  21   1.748 -13.329  -2.506
  158   2HG2  VAL  21          2HG2      VAL  21   2.335 -13.517  -4.173
  159   3HG2  VAL  21          3HG2      VAL  21   3.485 -13.168  -2.863
  160    H    GLY  22           H        GLY  22   2.790  -8.406  -2.989
  161   1HA   GLY  22          1HA       GLY  22   5.426  -8.022  -3.229
  162   2HA   GLY  22          2HA       GLY  22   5.238  -7.858  -1.468
  163    H    PHE  23           H        PHE  23   5.324  -5.718  -1.022
  164    HA   PHE  23           HA       PHE  23   3.948  -3.852  -2.809
  165   1HB   PHE  23          1HB       PHE  23   2.833  -2.806  -0.906
  166   2HB   PHE  23          2HB       PHE  23   2.334  -4.496  -1.086
  167    HD1  PHE  23           HD1      PHE  23   3.615  -6.256   0.346
  168    HD2  PHE  23           HD2      PHE  23   3.516  -2.003   1.129
  169    HE1  PHE  23           HE1      PHE  23   4.299  -6.707   2.713
  170    HE2  PHE  23           HE2      PHE  23   4.055  -2.457   3.528
  171    HZ   PHE  23           HZ       PHE  23   4.506  -4.785   4.269
  172    H    THR  24           H        THR  24   4.353  -1.571  -2.181
  173    HA   THR  24           HA       THR  24   7.004  -1.187  -0.892
  174    HB   THR  24           HB       THR  24   6.345   0.231  -3.461
  175    HG1  THR  24           HG1      THR  24   7.510  -1.644  -4.519
  176   1HG2  THR  24          1HG2      THR  24   8.911  -0.854  -2.227
  177   2HG2  THR  24          2HG2      THR  24   8.806   0.112  -3.716
  178   3HG2  THR  24          3HG2      THR  24   8.358   0.837  -2.155
  179    H    ARG  25           H        ARG  25   7.452   1.196  -0.657
  180    HA   ARG  25           HA       ARG  25   5.056   2.451   0.534
  181   1HB   ARG  25          1HB       ARG  25   8.040   3.007   0.851
  182   2HB   ARG  25          2HB       ARG  25   6.746   3.943   1.638
  183   1HG   ARG  25          1HG       ARG  25   5.952   1.897   2.765
  184   2HG   ARG  25          2HG       ARG  25   7.242   0.960   1.977
  185   1HD   ARG  25          1HD       ARG  25   8.515   1.449   3.777
  186   2HD   ARG  25          2HD       ARG  25   8.596   3.106   3.143
  187    HE   ARG  25           HE       ARG  25   6.230   2.459   4.741
  188   1HH1  ARG  25          1HH1      ARG  25   5.929   3.611   6.696
  189   2HH1  ARG  25          2HH1      ARG  25   7.252   4.529   7.376
  190   1HH2  ARG  25          1HH2      ARG  25   9.489   3.783   4.806
  191   2HH2  ARG  25          2HH2      ARG  25   9.250   4.626   6.317
  192    H    GLN  26           H        GLN  26   4.410   4.520   0.024
  193    HA   GLN  26           HA       GLN  26   5.834   5.895  -2.178
  194   1HB   GLN  26          1HB       GLN  26   3.824   4.509  -2.916
  195   2HB   GLN  26          2HB       GLN  26   2.830   5.644  -1.972
  196   1HG   GLN  26          1HG       GLN  26   4.675   7.010  -3.791
  197   2HG   GLN  26          2HG       GLN  26   3.551   5.924  -4.636
  198   2HE2  GLN  26          2HE2      GLN  26   1.248   6.157  -4.201
  199   1HE2  GLN  26          1HE2      GLN  26   0.609   7.711  -3.709
  200    H    MET  27           H        MET  27   6.028   7.928  -1.952
  201    HA   MET  27           HA       MET  27   4.880   9.301   0.395
  202   1HB   MET  27          1HB       MET  27   6.917  10.835  -0.014
  203   2HB   MET  27          2HB       MET  27   7.190   9.237   0.719
  204   1HG   MET  27          1HG       MET  27   8.051   8.342  -1.317
  205   2HG   MET  27          2HG       MET  27   7.484   9.733  -2.258
  206   1HE   MET  27          1HE       MET  27  10.347   8.642  -2.630
  207   2HE   MET  27          2HE       MET  27  11.616   9.224  -1.521
  208   3HE   MET  27          3HE       MET  27  10.414   8.035  -0.958
  209    H    ALA  28           H        ALA  28   4.474  11.564   0.198
  210    HA   ALA  28           HA       ALA  28   3.152  12.255  -2.313
  211   1HB   ALA  28          1HB       ALA  28   3.318  13.639   0.414
  212   2HB   ALA  28          2HB       ALA  28   2.016  12.544  -0.111
  213   3HB   ALA  28          3HB       ALA  28   2.244  14.111  -0.927
  214    H    ASP  29           H        ASP  29   4.478  13.026  -3.812
  215    HA   ASP  29           HA       ASP  29   5.635  15.456  -3.884
  216   1HB   ASP  29          1HB       ASP  29   7.472  13.690  -2.435
  217   2HB   ASP  29          2HB       ASP  29   8.198  14.374  -3.905
  218    HD2  ASP  29           HD2      ASP  29   8.451  16.656  -0.989
  219    H    GLU  30           H        GLU  30   6.500  12.066  -4.605
  220    HA   GLU  30           HA       GLU  30   7.725  12.579  -7.123
  221   1HB   GLU  30          1HB       GLU  30   7.731  10.536  -5.393
  222   2HB   GLU  30          2HB       GLU  30   6.486   9.927  -6.509
  223   1HG   GLU  30          1HG       GLU  30   8.425   9.096  -7.483
  224   2HG   GLU  30          2HG       GLU  30   8.200  10.618  -8.371
  225    H    ALA  31           H        ALA  31   6.177  10.351  -8.513
  226    HA   ALA  31           HA       ALA  31   4.441  11.830 -10.138
  227   1HB   ALA  31          1HB       ALA  31   3.695   9.600 -10.910
  228   2HB   ALA  31          2HB       ALA  31   5.466   9.666 -10.750
  229   3HB   ALA  31          3HB       ALA  31   4.490   8.850  -9.506
  230    H    CYS  32           H        CYS  32   3.996  10.671  -6.905
  231    HA   CYS  32           HA       CYS  32   1.115  11.104  -7.085
  232   1HB   CYS  32          1HB       CYS  32   2.704   9.172  -5.549
  233   2HB   CYS  32          2HB       CYS  32   1.436  10.028  -4.638
  234    H    ASP  33           H        ASP  33   0.134  12.446  -5.712
  235    HA   ASP  33           HA       ASP  33   1.874  14.423  -4.398
  236   1HB   ASP  33          1HB       ASP  33   0.169  15.159  -6.064
  237   2HB   ASP  33          2HB       ASP  33  -1.096  14.537  -4.984
  238    HD2  ASP  33           HD2      ASP  33   0.710  17.465  -3.106
  239    H    ILE  34           H        ILE  34   0.238  11.589  -3.589
  240    HA   ILE  34           HA       ILE  34  -0.058  12.445  -0.801
  241    HB   ILE  34           HB       ILE  34  -2.122  11.201  -0.531
  242   1HG1  ILE  34          1HG1      ILE  34  -2.028  10.751  -3.511
  243   2HG1  ILE  34          2HG1      ILE  34  -1.868   9.524  -2.233
  244   1HG2  ILE  34          1HG2      ILE  34  -2.167  13.604  -0.976
  245   2HG2  ILE  34          2HG2      ILE  34  -2.267  13.293  -2.725
  246   3HG2  ILE  34          3HG2      ILE  34  -3.604  12.802  -1.657
  247   1HD1  ILE  34          1HD1      ILE  34  -4.363  11.131  -2.854
  248   2HD1  ILE  34          2HD1      ILE  34  -4.103   9.430  -3.284
  249   3HD1  ILE  34          3HD1      ILE  34  -4.202   9.901  -1.577
  250    H    ASN  35           H        ASN  35   0.222  10.718   0.666
  251    HA   ASN  35           HA       ASN  35   2.138   8.744  -0.230
  252   1HB   ASN  35          1HB       ASN  35   0.693   9.274   2.388
  253   2HB   ASN  35          2HB       ASN  35   1.869   7.958   2.165
  254   2HD2  ASN  35          2HD2      ASN  35   3.188   8.834   3.785
  255   1HD2  ASN  35          1HD2      ASN  35   4.148  10.280   3.532
  256    H    ALA  36           H        ALA  36   1.839   6.563  -0.420
  257    HA   ALA  36           HA       ALA  36  -0.653   5.299   0.147
  258   1HB   ALA  36          1HB       ALA  36  -1.191   4.571  -2.151
  259   2HB   ALA  36          2HB       ALA  36   0.127   5.586  -2.779
  260   3HB   ALA  36          3HB       ALA  36  -1.277   6.340  -1.989
  261    H    ILE  37           H        ILE  37  -0.610   2.966  -0.305
  262    HA   ILE  37           HA       ILE  37   2.185   1.981  -0.209
  263    HB   ILE  37           HB       ILE  37  -0.322   0.653   0.822
  264   1HG1  ILE  37          1HG1      ILE  37  -0.248   2.697   1.966
  265   2HG1  ILE  37          2HG1      ILE  37   0.371   1.443   3.068
  266   1HG2  ILE  37          1HG2      ILE  37   1.560  -0.844   0.439
  267   2HG2  ILE  37          2HG2      ILE  37   2.601   0.181   1.454
  268   3HG2  ILE  37          3HG2      ILE  37   1.226  -0.683   2.177
  269   1HD1  ILE  37          1HD1      ILE  37   2.045   3.496   1.590
  270   2HD1  ILE  37          2HD1      ILE  37   1.643   3.551   3.315
  271   3HD1  ILE  37          3HD1      ILE  37   2.663   2.242   2.692
  272    H    ILE  38           H        ILE  38   2.760   1.306  -2.059
  273    HA   ILE  38           HA       ILE  38   0.964   0.442  -4.161
  274    HB   ILE  38           HB       ILE  38   3.824   1.082  -3.753
  275   1HG1  ILE  38          1HG1      ILE  38   2.978   1.682  -6.360
  276   2HG1  ILE  38          2HG1      ILE  38   1.512   1.856  -5.364
  277   1HG2  ILE  38          1HG2      ILE  38   4.132  -1.122  -4.774
  278   2HG2  ILE  38          2HG2      ILE  38   3.026  -0.661  -6.090
  279   3HG2  ILE  38          3HG2      ILE  38   4.585   0.163  -5.909
  280   1HD1  ILE  38          1HD1      ILE  38   4.211   3.124  -4.793
  281   2HD1  ILE  38          2HD1      ILE  38   2.785   3.960  -5.452
  282   3HD1  ILE  38          3HD1      ILE  38   2.745   3.299  -3.799
  283    H    PHE  39           H        PHE  39  -0.118  -1.414  -3.706
  284    HA   PHE  39           HA       PHE  39   1.295  -3.755  -2.627
  285   1HB   PHE  39          1HB       PHE  39  -1.623  -3.048  -3.095
  286   2HB   PHE  39          2HB       PHE  39  -1.093  -4.663  -2.592
  287    HD1  PHE  39           HD1      PHE  39   0.600  -4.694  -0.594
  288    HD2  PHE  39           HD2      PHE  39  -2.159  -1.463  -1.341
  289    HE1  PHE  39           HE1      PHE  39   0.482  -4.253   1.847
  290    HE2  PHE  39           HE2      PHE  39  -2.199  -0.951   1.101
  291    HZ   PHE  39           HZ       PHE  39  -0.968  -2.412   2.692
  292    H    HIS  40           H        HIS  40   1.524  -5.697  -3.702
  293    HA   HIS  40           HA       HIS  40   0.575  -5.829  -6.516
  294   1HB   HIS  40          1HB       HIS  40   3.213  -6.932  -5.522
  295   2HB   HIS  40          2HB       HIS  40   2.662  -6.729  -7.194
  296    HD1  HIS  40           HD1      HIS  40   2.229  -3.988  -7.741
  297    HD2  HIS  40           HD2      HIS  40   4.807  -5.040  -4.715
  298    HE1  HIS  40           HE1      HIS  40   3.974  -2.118  -7.595
  299    HE2  HIS  40           HE2      HIS  40   5.276  -2.659  -5.463
  300    H    THR  41           H        THR  41  -1.192  -6.945  -5.478
  301    HA   THR  41           HA       THR  41  -0.925  -9.355  -3.989
  302    HB   THR  41           HB       THR  41  -3.360  -9.505  -5.083
  303    HG1  THR  41           HG1      THR  41  -4.042  -7.291  -5.609
  304   1HG2  THR  41          1HG2      THR  41  -2.433  -7.329  -3.154
  305   2HG2  THR  41          2HG2      THR  41  -4.094  -7.950  -3.294
  306   3HG2  THR  41          3HG2      THR  41  -2.792  -9.014  -2.709
  307    H    LYS  42           H        LYS  42  -1.597 -11.475  -4.747
  308    HA   LYS  42           HA       LYS  42  -0.117 -12.162  -7.146
  309   1HB   LYS  42          1HB       LYS  42  -0.252 -13.459  -4.929
  310   2HB   LYS  42          2HB       LYS  42  -1.827 -14.039  -5.521
  311   1HG   LYS  42          1HG       LYS  42  -0.140 -15.681  -6.056
  312   2HG   LYS  42          2HG       LYS  42  -0.686 -14.909  -7.563
  313   1HD   LYS  42          1HD       LYS  42   1.311 -13.459  -7.533
  314   2HD   LYS  42          2HD       LYS  42   1.861 -14.262  -6.043
  315   1HE   LYS  42          1HE       LYS  42   1.241 -16.131  -8.243
  316   2HE   LYS  42          2HE       LYS  42   2.564 -15.005  -8.611
  317   1HZ   LYS  42          1HZ       LYS  42   2.402 -16.713  -6.228
  318   2HZ   LYS  42          2HZ       LYS  42   3.326 -16.985  -7.540
  319   3HZ   LYS  42          3HZ       LYS  42   3.627 -15.689  -6.605
  320    H    LYS  43           H        LYS  43  -3.177 -10.933  -6.702
  321    HA   LYS  43           HA       LYS  43  -4.038 -11.862  -9.336
  322   1HB   LYS  43          1HB       LYS  43  -4.947 -13.336  -7.344
  323   2HB   LYS  43          2HB       LYS  43  -6.053 -11.962  -7.105
  324   1HG   LYS  43          1HG       LYS  43  -6.025 -12.479  -9.898
  325   2HG   LYS  43          2HG       LYS  43  -6.153 -14.066  -9.101
  326   1HD   LYS  43          1HD       LYS  43  -7.922 -12.742  -7.590
  327   2HD   LYS  43          2HD       LYS  43  -8.039 -11.731  -9.050
  328   1HE   LYS  43          1HE       LYS  43  -8.291 -14.753  -9.111
  329   2HE   LYS  43          2HE       LYS  43  -9.684 -13.674  -8.880
  330   1HZ   LYS  43          1HZ       LYS  43  -7.886 -13.654 -11.188
  331   2HZ   LYS  43          2HZ       LYS  43  -9.367 -14.321 -11.136
  332   3HZ   LYS  43          3HZ       LYS  43  -9.216 -12.709 -10.982
  333    H    ARG  44           H        ARG  44  -2.968  -9.393  -8.702
  334    HA   ARG  44           HA       ARG  44  -4.844  -7.653  -9.766
  335   1HB   ARG  44          1HB       ARG  44  -4.812  -7.622  -6.824
  336   2HB   ARG  44          2HB       ARG  44  -4.407  -6.052  -7.559
  337   1HG   ARG  44          1HG       ARG  44  -6.548  -6.179  -8.850
  338   2HG   ARG  44          2HG       ARG  44  -6.959  -7.647  -7.932
  339   1HD   ARG  44          1HD       ARG  44  -7.830  -6.209  -6.401
  340   2HD   ARG  44          2HD       ARG  44  -6.139  -5.928  -5.935
  341    HE   ARG  44           HE       ARG  44  -6.424  -4.192  -7.973
  342   1HH1  ARG  44          1HH1      ARG  44  -7.239  -2.047  -7.915
  343   2HH1  ARG  44          2HH1      ARG  44  -8.371  -1.587  -6.668
  344   1HH2  ARG  44          1HH2      ARG  44  -8.452  -4.732  -5.154
  345   2HH2  ARG  44          2HH2      ARG  44  -9.051  -3.092  -5.121
  346    H    LYS  45           H        LYS  45  -3.892  -5.830 -10.453
  347    HA   LYS  45           HA       LYS  45  -1.023  -5.758 -10.575
  348   1HB   LYS  45          1HB       LYS  45  -3.296  -4.134 -11.666
  349   2HB   LYS  45          2HB       LYS  45  -1.663  -3.428 -11.654
  350   1HG   LYS  45          1HG       LYS  45  -0.782  -5.126 -13.034
  351   2HG   LYS  45          2HG       LYS  45  -2.115  -6.247 -12.667
  352   1HD   LYS  45          1HD       LYS  45  -3.649  -4.583 -13.870
  353   2HD   LYS  45          2HD       LYS  45  -2.162  -3.799 -14.458
  354   1HE   LYS  45          1HE       LYS  45  -2.061  -6.701 -14.804
  355   2HE   LYS  45          2HE       LYS  45  -3.472  -5.995 -15.621
  356   1HZ   LYS  45          1HZ       LYS  45  -0.697  -5.119 -15.953
  357   2HZ   LYS  45          2HZ       LYS  45  -1.548  -6.007 -17.011
  358   3HZ   LYS  45          3HZ       LYS  45  -2.001  -4.473 -16.703
  359    H    SER  46           H        SER  46  -0.195  -3.215 -10.321
  360    HA   SER  46           HA       SER  46   0.287  -2.904  -7.584
  361   1HB   SER  46          1HB       SER  46   0.619  -0.371  -8.664
  362   2HB   SER  46          2HB       SER  46   1.855  -1.648  -8.564
  363    HG   SER  46           HG       SER  46   1.616  -0.806 -10.719
  364    H    VAL  47           H        VAL  47  -0.749  -2.094  -5.987
  365    HA   VAL  47           HA       VAL  47  -3.151  -0.389  -6.490
  366    HB   VAL  47           HB       VAL  47  -2.657  -2.894  -5.051
  367   1HG1  VAL  47          1HG1      VAL  47  -2.853  -1.552  -3.044
  368   2HG1  VAL  47          2HG1      VAL  47  -4.389  -0.869  -3.631
  369   3HG1  VAL  47          3HG1      VAL  47  -4.276  -2.595  -3.235
  370   1HG2  VAL  47          1HG2      VAL  47  -4.105  -2.648  -6.996
  371   2HG2  VAL  47          2HG2      VAL  47  -5.033  -3.211  -5.586
  372   3HG2  VAL  47          3HG2      VAL  47  -5.143  -1.512  -6.101
  373    H    CYS  48           H        CYS  48  -2.884   1.636  -5.793
  374    HA   CYS  48           HA       CYS  48  -0.889   2.068  -3.657
  375   1HB   CYS  48          1HB       CYS  48  -0.502   4.139  -4.454
  376   2HB   CYS  48          2HB       CYS  48  -0.850   3.235  -5.948
  377    H    ALA  49           H        ALA  49  -1.767   1.855  -1.697
  378    HA   ALA  49           HA       ALA  49  -4.418   3.113  -1.264
  379   1HB   ALA  49          1HB       ALA  49  -4.174   0.680  -0.950
  380   2HB   ALA  49          2HB       ALA  49  -4.515   1.504   0.593
  381   3HB   ALA  49          3HB       ALA  49  -2.860   0.961   0.215
  382    H    ASP  50           H        ASP  50  -4.572   4.941  -0.012
  383    HA   ASP  50           HA       ASP  50  -2.299   6.232   0.997
  384   1HB   ASP  50          1HB       ASP  50  -4.415   7.355   0.492
  385   2HB   ASP  50          2HB       ASP  50  -5.187   6.521   1.858
  386    HD2  ASP  50           HD2      ASP  50  -3.105   8.608   4.045
  387    HA   PRO  51           HA       PRO  51  -1.637   3.978   4.810
  388   1HB   PRO  51          1HB       PRO  51   0.316   5.504   5.931
  389   2HB   PRO  51          2HB       PRO  51   0.581   4.426   4.522
  390   1HG   PRO  51          1HG       PRO  51   0.073   7.401   4.513
  391   2HG   PRO  51          2HG       PRO  51   1.324   6.493   3.602
  392   1HD   PRO  51          1HD       PRO  51  -1.081   7.284   2.516
  393   2HD   PRO  51          2HD       PRO  51  -0.240   5.786   2.014
  394    H    LYS  52           H        LYS  52  -3.998   5.131   4.775
  395    HA   LYS  52           HA       LYS  52  -4.154   6.330   7.484
  396   1HB   LYS  52          1HB       LYS  52  -6.049   7.694   6.722
  397   2HB   LYS  52          2HB       LYS  52  -4.501   8.113   5.948
  398   1HG   LYS  52          1HG       LYS  52  -5.968   8.236   4.196
  399   2HG   LYS  52          2HG       LYS  52  -5.312   6.590   4.031
  400   1HD   LYS  52          1HD       LYS  52  -7.663   6.581   3.508
  401   2HD   LYS  52          2HD       LYS  52  -7.409   5.710   5.040
  402   1HE   LYS  52          1HE       LYS  52  -8.136   7.588   6.336
  403   2HE   LYS  52          2HE       LYS  52  -8.066   8.673   4.931
  404   1HZ   LYS  52          1HZ       LYS  52  -9.835   6.382   5.233
  405   2HZ   LYS  52          2HZ       LYS  52 -10.258   7.954   5.396
  406   3HZ   LYS  52          3HZ       LYS  52  -9.774   7.395   3.931
  407    H    GLN  53           H        GLN  53  -4.391   3.570   6.398
  408    HA   GLN  53           HA       GLN  53  -7.097   2.975   7.455
  409   1HB   GLN  53          1HB       GLN  53  -5.649   1.868   5.045
  410   2HB   GLN  53          2HB       GLN  53  -6.914   0.931   5.876
  411   1HG   GLN  53          1HG       GLN  53  -8.563   2.196   4.999
  412   2HG   GLN  53          2HG       GLN  53  -7.713   3.708   5.381
  413   2HE2  GLN  53          2HE2      GLN  53  -8.982   2.040   2.889
  414   1HE2  GLN  53          1HE2      GLN  53  -7.914   2.509   1.581
  415    H    ASN  54           H        ASN  54  -7.207   0.583   8.073
  416    HA   ASN  54           HA       ASN  54  -5.043   0.051   9.962
  417   1HB   ASN  54          1HB       ASN  54  -6.546  -1.810  10.718
  418   2HB   ASN  54          2HB       ASN  54  -7.263  -0.188  10.843
  419   2HD2  ASN  54          2HD2      ASN  54  -8.923   0.417   9.447
  420   1HD2  ASN  54          1HD2      ASN  54  -9.748  -0.698   8.376
  421    H    TRP  55           H        TRP  55  -6.628  -1.568   7.165
  422    HA   TRP  55           HA       TRP  55  -5.011  -3.843   7.144
  423   1HB   TRP  55          1HB       TRP  55  -5.944  -4.272   4.982
  424   2HB   TRP  55          2HB       TRP  55  -7.205  -3.490   5.946
  425    HD1  TRP  55           HD1      TRP  55  -7.832  -0.926   5.256
  426    HE1  TRP  55           HE1      TRP  55  -7.506   0.406   3.122
  427    HE3  TRP  55           HE3      TRP  55  -4.510  -4.001   3.011
  428    HZ2  TRP  55           HZ2      TRP  55  -6.223   0.032   0.626
  429    HZ3  TRP  55           HZ3      TRP  55  -4.075  -3.712   0.572
  430    HH2  TRP  55           HH2      TRP  55  -4.886  -1.668  -0.600
  431    H    VAL  56           H        VAL  56  -4.642  -0.696   5.569
  432    HA   VAL  56           HA       VAL  56  -2.264  -1.204   4.115
  433    HB   VAL  56           HB       VAL  56  -3.835   1.156   5.006
  434   1HG1  VAL  56          1HG1      VAL  56  -1.035   1.394   3.857
  435   2HG1  VAL  56          2HG1      VAL  56  -2.187   2.731   4.051
  436   3HG1  VAL  56          3HG1      VAL  56  -1.538   1.910   5.485
  437   1HG2  VAL  56          1HG2      VAL  56  -4.241  -0.072   2.895
  438   2HG2  VAL  56          2HG2      VAL  56  -3.697   1.591   2.572
  439   3HG2  VAL  56          3HG2      VAL  56  -2.559   0.234   2.399
  440    H    LYS  57           H        LYS  57  -2.658   0.688   7.209
  441    HA   LYS  57           HA       LYS  57  -0.007   0.843   7.813
  442   1HB   LYS  57          1HB       LYS  57  -0.546   1.492   9.953
  443   2HB   LYS  57          2HB       LYS  57  -2.034   1.864   9.050
  444   1HG   LYS  57          1HG       LYS  57  -3.141  -0.071   9.943
  445   2HG   LYS  57          2HG       LYS  57  -1.631  -0.656  10.684
  446   1HD   LYS  57          1HD       LYS  57  -2.324   2.055  11.541
  447   2HD   LYS  57          2HD       LYS  57  -3.594   0.869  11.926
  448   1HE   LYS  57          1HE       LYS  57  -2.213  -0.344  13.361
  449   2HE   LYS  57          2HE       LYS  57  -0.725   0.158  12.526
  450   1HZ   LYS  57          1HZ       LYS  57  -2.468   1.927  14.075
  451   2HZ   LYS  57          2HZ       LYS  57  -1.064   1.309  14.609
  452   3HZ   LYS  57          3HZ       LYS  57  -1.058   2.345  13.347
  453    H    ARG  58           H        ARG  58  -2.191  -1.937   8.433
  454    HA   ARG  58           HA       ARG  58  -0.453  -3.506   9.938
  455   1HB   ARG  58          1HB       ARG  58  -2.919  -3.858   8.404
  456   2HB   ARG  58          2HB       ARG  58  -1.888  -5.309   8.391
  457   1HG   ARG  58          1HG       ARG  58  -3.477  -5.309  10.282
  458   2HG   ARG  58          2HG       ARG  58  -1.782  -5.295  10.825
  459   1HD   ARG  58          1HD       ARG  58  -2.140  -3.420  12.009
  460   2HD   ARG  58          2HD       ARG  58  -2.728  -2.576  10.561
  461    HE   ARG  58           HE       ARG  58  -4.868  -2.907  11.256
  462   1HH1  ARG  58          1HH1      ARG  58  -6.552  -3.644  12.612
  463   2HH1  ARG  58          2HH1      ARG  58  -6.233  -4.883  13.803
  464   1HH2  ARG  58          1HH2      ARG  58  -2.847  -5.204  13.011
  465   2HH2  ARG  58          2HH2      ARG  58  -4.153  -5.759  14.029
  466    H    ALA  59           H        ALA  59  -0.887  -3.371   6.375
  467    HA   ALA  59           HA       ALA  59   1.075  -5.384   5.815
  468   1HB   ALA  59          1HB       ALA  59  -0.132  -3.118   4.179
  469   2HB   ALA  59          2HB       ALA  59   0.761  -4.518   3.533
  470   3HB   ALA  59          3HB       ALA  59  -0.805  -4.758   4.350
  471    H    VAL  60           H        VAL  60   1.123  -1.758   5.869
  472    HA   VAL  60           HA       VAL  60   3.857  -1.458   5.174
  473    HB   VAL  60           HB       VAL  60   2.188   0.385   6.917
  474   1HG1  VAL  60          1HG1      VAL  60   4.494   0.964   5.001
  475   2HG1  VAL  60          2HG1      VAL  60   3.589   2.187   5.918
  476   3HG1  VAL  60          3HG1      VAL  60   4.593   1.000   6.779
  477   1HG2  VAL  60          1HG2      VAL  60   1.009  -0.197   4.818
  478   2HG2  VAL  60          2HG2      VAL  60   1.559   1.495   4.793
  479   3HG2  VAL  60          3HG2      VAL  60   2.457   0.255   3.886
  480    H    ASN  61           H        ASN  61   2.191  -2.122   8.257
  481    HA   ASN  61           HA       ASN  61   4.221  -1.568  10.042
  482   1HB   ASN  61          1HB       ASN  61   1.860  -2.147  10.599
  483   2HB   ASN  61          2HB       ASN  61   2.215  -3.842  10.205
  484   2HD2  ASN  61          2HD2      ASN  61   1.253  -3.486  12.589
  485   1HD2  ASN  61          1HD2      ASN  61   2.472  -3.601  13.837
  486    H    LEU  62           H        LEU  62   3.373  -4.860   8.790
  487    HA   LEU  62           HA       LEU  62   5.672  -6.170   9.642
  488   1HB   LEU  62          1HB       LEU  62   3.519  -6.669   7.783
  489   2HB   LEU  62          2HB       LEU  62   5.056  -7.281   7.128
  490    HG   LEU  62           HG       LEU  62   5.230  -8.029   9.784
  491   1HD1  LEU  62          1HD1      LEU  62   2.896  -7.344  10.225
  492   2HD1  LEU  62          2HD1      LEU  62   2.333  -8.404   8.910
  493   3HD1  LEU  62          3HD1      LEU  62   3.078  -9.108  10.364
  494   1HD2  LEU  62          1HD2      LEU  62   5.764  -9.382   7.789
  495   2HD2  LEU  62          2HD2      LEU  62   4.754 -10.299   8.932
  496   3HD2  LEU  62          3HD2      LEU  62   4.026  -9.599   7.466
  497    H    LEU  63           H        LEU  63   5.230  -4.145   6.754
  498    HA   LEU  63           HA       LEU  63   7.836  -4.592   5.668
  499   1HB   LEU  63          1HB       LEU  63   6.475  -3.811   4.077
  500   2HB   LEU  63          2HB       LEU  63   5.577  -2.757   5.194
  501    HG   LEU  63           HG       LEU  63   8.346  -1.982   4.411
  502   1HD1  LEU  63          1HD1      LEU  63   7.309  -2.583   2.269
  503   2HD1  LEU  63          2HD1      LEU  63   5.903  -1.563   2.658
  504   3HD1  LEU  63          3HD1      LEU  63   7.499  -0.821   2.410
  505   1HD2  LEU  63          1HD2      LEU  63   7.078  -0.717   6.101
  506   2HD2  LEU  63          2HD2      LEU  63   7.353   0.266   4.644
  507   3HD2  LEU  63          3HD2      LEU  63   5.760  -0.469   4.931
  508    H    SER  64           H        SER  64   6.549  -2.294   8.037
  509    HA   SER  64           HA       SER  64   8.602  -0.424   8.095
  510   1HB   SER  64          1HB       SER  64   6.339  -0.289   9.222
  511   2HB   SER  64          2HB       SER  64   6.970  -1.391  10.470
  512    HG   SER  64           HG       SER  64   7.195   0.800  11.114
  513    H    LEU  65           H        LEU  65   8.266  -3.631   9.750
  514    HA   LEU  65           HA       LEU  65  10.940  -3.288  10.893
  515   1HB   LEU  65          1HB       LEU  65  10.495  -5.070  12.214
  516   2HB   LEU  65          2HB       LEU  65   8.843  -4.485  11.898
  517    HG   LEU  65           HG       LEU  65   8.974  -6.281   9.931
  518   1HD1  LEU  65          1HD1      LEU  65  11.331  -6.915  10.417
  519   2HD1  LEU  65          2HD1      LEU  65  10.864  -7.365  12.075
  520   3HD1  LEU  65          3HD1      LEU  65  10.232  -8.288  10.692
  521   1HD2  LEU  65          1HD2      LEU  65   7.347  -6.244  11.795
  522   2HD2  LEU  65          2HD2      LEU  65   7.929  -7.897  11.483
  523   3HD2  LEU  65          3HD2      LEU  65   8.565  -6.975  12.867
  524    H    ARG  66           H        ARG  66   9.588  -4.450   7.935
  525    HA   ARG  66           HA       ARG  66  11.690  -6.340   7.289
  526   1HB   ARG  66          1HB       ARG  66   9.242  -6.398   6.527
  527   2HB   ARG  66          2HB       ARG  66   9.680  -5.091   5.401
  528   1HG   ARG  66          1HG       ARG  66  10.283  -6.701   3.952
  529   2HG   ARG  66          2HG       ARG  66  11.668  -7.026   5.022
  530   1HD   ARG  66          1HD       ARG  66  10.794  -9.067   5.461
  531   2HD   ARG  66          2HD       ARG  66   9.404  -8.269   6.229
  532    HE   ARG  66           HE       ARG  66   9.012  -8.142   3.462
  533   1HH1  ARG  66          1HH1      ARG  66   7.707  -9.617   2.306
  534   2HH1  ARG  66          2HH1      ARG  66   7.378 -11.195   2.979
  535   1HH2  ARG  66          1HH2      ARG  66   9.227 -10.672   5.898
  536   2HH2  ARG  66          2HH2      ARG  66   8.231 -11.791   4.999
  537    H    VAL  67           H        VAL  67  10.629  -3.167   5.871
  538    HA   VAL  67           HA       VAL  67  13.231  -2.788   4.543
  539    HB   VAL  67           HB       VAL  67  10.615  -1.250   4.429
  540   1HG1  VAL  67          1HG1      VAL  67  12.537   0.203   3.835
  541   2HG1  VAL  67          2HG1      VAL  67  13.077  -1.002   2.642
  542   3HG1  VAL  67          3HG1      VAL  67  11.545  -0.135   2.402
  543   1HG2  VAL  67          1HG2      VAL  67  10.473  -3.506   3.405
  544   2HG2  VAL  67          2HG2      VAL  67  10.386  -2.245   2.157
  545   3HG2  VAL  67          3HG2      VAL  67  11.900  -3.139   2.406
  546    H    LYS  68           H        LYS  68  13.338  -2.868   7.361
  547    HA   LYS  68           HA       LYS  68  14.743  -0.449   7.839
  548   1HB   LYS  68          1HB       LYS  68  12.083  -0.067   8.288
  549   2HB   LYS  68          2HB       LYS  68  12.623  -0.632   9.887
  550   1HG   LYS  68          1HG       LYS  68  14.588   1.190   9.055
  551   2HG   LYS  68          2HG       LYS  68  13.040   1.934   8.593
  552   1HD   LYS  68          1HD       LYS  68  12.201   1.793  10.848
  553   2HD   LYS  68          2HD       LYS  68  13.551   0.748  11.353
  554   1HE   LYS  68          1HE       LYS  68  15.117   2.503  11.253
  555   2HE   LYS  68          2HE       LYS  68  14.119   3.461  10.138
  556   1HZ   LYS  68          1HZ       LYS  68  13.475   2.904  12.935
  557   2HZ   LYS  68          2HZ       LYS  68  14.072   4.304  12.354
  558   3HZ   LYS  68          3HZ       LYS  68  12.585   3.810  11.899
  559    H    LYS  69           H        LYS  69  16.252  -2.061   8.086
  560    HA   LYS  69           HA       LYS  69  16.025  -4.029  10.219
  561   1HB   LYS  69          1HB       LYS  69  17.488  -3.862   7.892
  562   2HB   LYS  69          2HB       LYS  69  18.701  -3.419   9.117
  563   1HG   LYS  69          1HG       LYS  69  18.883  -5.592   9.715
  564   2HG   LYS  69          2HG       LYS  69  17.164  -5.597  10.178
  565   1HD   LYS  69          1HD       LYS  69  17.027  -7.211   8.582
  566   2HD   LYS  69          2HD       LYS  69  16.924  -5.812   7.486
  567   1HE   LYS  69          1HE       LYS  69  19.490  -5.924   7.344
  568   2HE   LYS  69          2HE       LYS  69  19.363  -7.509   8.137
  569   1HZ   LYS  69          1HZ       LYS  69  17.879  -8.172   6.335
  570   2HZ   LYS  69          2HZ       LYS  69  18.115  -6.708   5.616
  571   3HZ   LYS  69          3HZ       LYS  69  19.358  -7.744   5.792
  572    H    MET  70           H        MET  70  18.415  -3.934  11.540
  573    HA   MET  70           HA       MET  70  18.029  -2.071  13.586
  574   1HB   MET  70          1HB       MET  70  19.866  -4.159  12.870
  575   2HB   MET  70          2HB       MET  70  20.792  -2.757  13.457
  576   1HG   MET  70          1HG       MET  70  19.681  -2.741  15.537
  577   2HG   MET  70          2HG       MET  70  18.344  -3.733  14.935
  578   1HE   MET  70          1HE       MET  70  21.460  -3.679  17.023
  579   2HE   MET  70          2HE       MET  70  22.346  -5.180  16.668
  580   3HE   MET  70          3HE       MET  70  22.301  -3.871  15.465

  No H/Q in entry =         580
  Start of MODEL   20
    1    H1   ALA   1           H1       ALA   1 -11.786  14.609   0.146
    2    H2   ALA   1           H2       ALA   1 -13.135  15.127  -0.590
    3    H3   ALA   1           H3       ALA   1 -11.960  14.444  -1.477
    4    HA   ALA   1           HA       ALA   1 -11.915  16.783  -1.785
    5   1HB   ALA   1          1HB       ALA   1 -13.108  17.304   0.295
    6   2HB   ALA   1          2HB       ALA   1 -11.624  18.277   0.154
    7   3HB   ALA   1          3HB       ALA   1 -11.666  16.870   1.245
    8    H    SER   2           H        SER   2 -10.228  15.085  -2.571
    9    HA   SER   2           HA       SER   2  -7.561  16.007  -1.697
   10   1HB   SER   2          1HB       SER   2  -8.608  13.307  -1.501
   11   2HB   SER   2          2HB       SER   2  -7.265  13.361  -2.667
   12    HG   SER   2           HG       SER   2  -6.617  13.102  -0.341
   13    H    ASN   3           H        ASN   3  -6.138  16.385  -3.292
   14    HA   ASN   3           HA       ASN   3  -7.101  16.168  -6.082
   15   1HB   ASN   3          1HB       ASN   3  -5.202  17.829  -6.454
   16   2HB   ASN   3          2HB       ASN   3  -6.588  18.398  -5.498
   17   2HD2  ASN   3          2HD2      ASN   3  -3.539  16.575  -4.833
   18   1HD2  ASN   3          1HD2      ASN   3  -3.135  17.462  -3.375
   19    H    TYR   4           H        TYR   4  -6.170  13.830  -4.760
   20    HA   TYR   4           HA       TYR   4  -3.442  13.263  -5.676
   21   1HB   TYR   4          1HB       TYR   4  -3.751  12.152  -3.723
   22   2HB   TYR   4          2HB       TYR   4  -5.517  12.204  -3.859
   23    HD1  TYR   4           HD1      TYR   4  -2.626  10.461  -5.587
   24    HD2  TYR   4           HD2      TYR   4  -6.625  10.249  -3.946
   25    HE1  TYR   4           HE1      TYR   4  -2.743   8.054  -6.228
   26    HE2  TYR   4           HE2      TYR   4  -6.750   7.836  -4.611
   27    HH   TYR   4           HH       TYR   4  -5.549   6.070  -5.419
   28    H    ASP   5           H        ASP   5  -2.944  11.916  -7.319
   29    HA   ASP   5           HA       ASP   5  -4.644  10.095  -8.607
   30   1HB   ASP   5          1HB       ASP   5  -5.498  12.474  -9.368
   31   2HB   ASP   5          2HB       ASP   5  -4.102  12.391 -10.464
   32    HD2  ASP   5           HD2      ASP   5  -6.103  10.667 -12.598
   33    H    CYS   6           H        CYS   6  -2.419   9.291  -7.773
   34    HA   CYS   6           HA       CYS   6  -0.149   9.912  -9.518
   35   1HB   CYS   6          1HB       CYS   6  -0.149   7.944  -7.251
   36   2HB   CYS   6          2HB       CYS   6   1.171   8.976  -7.857
   37    H    CYS   7           H        CYS   7  -0.904   6.795  -7.936
   38    HA   CYS   7           HA       CYS   7  -0.232   5.062 -10.043
   39   1HB   CYS   7          1HB       CYS   7  -1.777   5.016  -7.496
   40   2HB   CYS   7          2HB       CYS   7  -2.160   3.731  -8.667
   41    H    LEU   8           H        LEU   8  -1.839   3.655 -11.189
   42    HA   LEU   8           HA       LEU   8  -3.355   4.919 -13.026
   43   1HB   LEU   8          1HB       LEU   8  -2.661   2.448 -12.804
   44   2HB   LEU   8          2HB       LEU   8  -4.181   2.229 -11.903
   45    HG   LEU   8           HG       LEU   8  -4.724   3.753 -14.284
   46   1HD1  LEU   8          1HD1      LEU   8  -2.660   2.761 -15.193
   47   2HD1  LEU   8          2HD1      LEU   8  -3.250   1.133 -14.780
   48   3HD1  LEU   8          3HD1      LEU   8  -4.095   2.102 -16.012
   49   1HD2  LEU   8          1HD2      LEU   8  -6.347   2.390 -13.033
   50   2HD2  LEU   8          2HD2      LEU   8  -6.274   1.885 -14.738
   51   3HD2  LEU   8          3HD2      LEU   8  -5.465   0.911 -13.487
   52    H    SER   9           H        SER   9  -4.360   4.139  -9.759
   53    HA   SER   9           HA       SER   9  -6.210   6.039  -9.345
   54   1HB   SER   9          1HB       SER   9  -7.956   5.465 -10.615
   55   2HB   SER   9          2HB       SER   9  -7.396   3.788 -10.812
   56    HG   SER   9           HG       SER   9  -9.324   3.752  -9.742
   57    H    TYR  10           H        TYR  10  -7.214   5.859  -7.304
   58    HA   TYR  10           HA       TYR  10  -5.910   4.517  -5.244
   59   1HB   TYR  10          1HB       TYR  10  -7.648   6.475  -5.298
   60   2HB   TYR  10          2HB       TYR  10  -8.849   5.186  -5.117
   61    HD1  TYR  10           HD1      TYR  10  -5.468   6.000  -3.596
   62    HD2  TYR  10           HD2      TYR  10  -9.595   4.875  -2.935
   63    HE1  TYR  10           HE1      TYR  10  -5.131   6.226  -1.129
   64    HE2  TYR  10           HE2      TYR  10  -9.240   5.050  -0.473
   65    HH   TYR  10           HH       TYR  10  -7.810   5.567   1.149
   66    H    ILE  11           H        ILE  11  -7.402   3.134  -3.607
   67    HA   ILE  11           HA       ILE  11  -8.057   0.714  -5.127
   68    HB   ILE  11           HB       ILE  11  -6.430   1.204  -3.003
   69   1HG1  ILE  11          1HG1      ILE  11  -6.015  -0.407  -4.581
   70   2HG1  ILE  11          2HG1      ILE  11  -6.124  -1.227  -3.005
   71   1HG2  ILE  11          1HG2      ILE  11  -8.163   1.285  -1.355
   72   2HG2  ILE  11          2HG2      ILE  11  -8.735  -0.328  -1.845
   73   3HG2  ILE  11          3HG2      ILE  11  -7.139  -0.138  -1.097
   74   1HD1  ILE  11          1HD1      ILE  11  -8.228  -1.279  -5.186
   75   2HD1  ILE  11          2HD1      ILE  11  -7.125  -2.608  -4.800
   76   3HD1  ILE  11          3HD1      ILE  11  -8.336  -2.100  -3.610
   77    H    GLN  12           H        GLN  12 -10.029   0.903  -5.885
   78    HA   GLN  12           HA       GLN  12 -12.184   1.922  -4.323
   79   1HB   GLN  12          1HB       GLN  12 -11.932   0.522  -6.938
   80   2HB   GLN  12          2HB       GLN  12 -13.514   0.466  -6.124
   81   1HG   GLN  12          1HG       GLN  12 -13.056   3.058  -5.778
   82   2HG   GLN  12          2HG       GLN  12 -11.977   2.829  -7.173
   83   2HE2  GLN  12          2HE2      GLN  12 -14.083   4.541  -7.409
   84   1HE2  GLN  12          1HE2      GLN  12 -15.324   3.865  -8.449
   85    H    THR  13           H        THR  13 -10.484  -0.934  -3.992
   86    HA   THR  13           HA       THR  13 -12.367  -2.032  -2.152
   87    HB   THR  13           HB       THR  13 -12.115  -3.226  -4.828
   88    HG1  THR  13           HG1      THR  13 -14.329  -3.802  -4.088
   89   1HG2  THR  13          1HG2      THR  13 -12.384  -5.059  -2.432
   90   2HG2  THR  13          2HG2      THR  13 -12.685  -5.521  -4.118
   91   3HG2  THR  13          3HG2      THR  13 -11.050  -5.065  -3.610
   92    HA   PRO  14           HA       PRO  14  -8.169  -2.612  -0.701
   93   1HB   PRO  14          1HB       PRO  14  -8.980  -2.301   1.980
   94   2HB   PRO  14          2HB       PRO  14  -8.300  -1.050   0.890
   95   1HG   PRO  14          1HG       PRO  14 -11.049  -1.377   1.834
   96   2HG   PRO  14          2HG       PRO  14 -10.254   0.078   1.149
   97   1HD   PRO  14          1HD       PRO  14 -12.085  -1.691  -0.138
   98   2HD   PRO  14          2HD       PRO  14 -11.096  -0.418  -0.915
   99    H    LEU  15           H        LEU  15  -7.633  -4.715  -0.893
  100    HA   LEU  15           HA       LEU  15  -9.359  -6.737   0.326
  101   1HB   LEU  15          1HB       LEU  15  -7.722  -8.308  -0.862
  102   2HB   LEU  15          2HB       LEU  15  -8.873  -7.355  -1.829
  103    HG   LEU  15           HG       LEU  15  -6.130  -6.228  -1.398
  104   1HD1  LEU  15          1HD1      LEU  15  -5.758  -8.625  -1.913
  105   2HD1  LEU  15          2HD1      LEU  15  -6.838  -8.490  -3.321
  106   3HD1  LEU  15          3HD1      LEU  15  -5.299  -7.593  -3.290
  107   1HD2  LEU  15          1HD2      LEU  15  -8.060  -6.350  -3.752
  108   2HD2  LEU  15          2HD2      LEU  15  -7.868  -4.977  -2.635
  109   3HD2  LEU  15          3HD2      LEU  15  -6.528  -5.446  -3.708
  110    HA   PRO  16           HA       PRO  16  -6.810  -7.252   3.831
  111   1HB   PRO  16          1HB       PRO  16  -6.854  -9.976   4.361
  112   2HB   PRO  16          2HB       PRO  16  -8.182  -8.821   4.706
  113   1HG   PRO  16          1HG       PRO  16  -7.952 -10.801   2.500
  114   2HG   PRO  16          2HG       PRO  16  -9.424 -10.213   3.341
  115   1HD   PRO  16          1HD       PRO  16  -8.522  -9.416   0.795
  116   2HD   PRO  16          2HD       PRO  16  -9.661  -8.494   1.825
  117    H    SER  17           H        SER  17  -4.641  -7.584   4.490
  118    HA   SER  17           HA       SER  17  -2.712  -7.870   2.580
  119   1HB   SER  17          1HB       SER  17  -1.070  -7.874   4.233
  120   2HB   SER  17          2HB       SER  17  -2.438  -7.029   4.993
  121    HG   SER  17           HG       SER  17  -1.235  -8.850   6.208
  122    H    ARG  18           H        ARG  18  -4.458 -10.460   4.002
  123    HA   ARG  18           HA       ARG  18  -2.747 -12.658   3.645
  124   1HB   ARG  18          1HB       ARG  18  -4.741 -13.975   3.651
  125   2HB   ARG  18          2HB       ARG  18  -4.944 -12.628   4.796
  126   1HG   ARG  18          1HG       ARG  18  -6.960 -12.413   3.817
  127   2HG   ARG  18          2HG       ARG  18  -6.048 -11.547   2.558
  128   1HD   ARG  18          1HD       ARG  18  -6.569 -13.095   1.014
  129   2HD   ARG  18          2HD       ARG  18  -6.047 -14.423   2.073
  130    HE   ARG  18           HE       ARG  18  -8.726 -13.566   1.588
  131   1HH1  ARG  18          1HH1      ARG  18 -10.477 -14.424   2.779
  132   2HH1  ARG  18          2HH1      ARG  18 -10.184 -15.251   4.290
  133   1HH2  ARG  18          1HH2      ARG  18  -6.728 -14.801   4.223
  134   2HH2  ARG  18          2HH2      ARG  18  -8.085 -15.463   5.100
  135    H    ALA  19           H        ALA  19  -4.254 -10.615   1.266
  136    HA   ALA  19           HA       ALA  19  -3.710 -12.550  -0.909
  137   1HB   ALA  19          1HB       ALA  19  -5.229 -11.090  -2.207
  138   2HB   ALA  19          2HB       ALA  19  -6.018 -11.678  -0.722
  139   3HB   ALA  19          3HB       ALA  19  -5.400 -10.010  -0.801
  140    H    ILE  20           H        ILE  20  -1.992 -10.261   0.725
  141    HA   ILE  20           HA       ILE  20  -0.832  -8.941  -1.642
  142    HB   ILE  20           HB       ILE  20  -1.024  -8.282   1.293
  143   1HG1  ILE  20          1HG1      ILE  20  -1.727  -6.060   0.412
  144   2HG1  ILE  20          2HG1      ILE  20  -1.684  -6.751  -1.228
  145   1HG2  ILE  20          1HG2      ILE  20   1.335  -7.961   0.658
  146   2HG2  ILE  20          2HG2      ILE  20   0.831  -6.948  -0.718
  147   3HG2  ILE  20          3HG2      ILE  20   0.547  -6.396   0.947
  148   1HD1  ILE  20          1HD1      ILE  20  -3.555  -7.583   1.005
  149   2HD1  ILE  20          2HD1      ILE  20  -4.005  -6.587  -0.389
  150   3HD1  ILE  20          3HD1      ILE  20  -3.513  -8.272  -0.636
  151    H    VAL  21           H        VAL  21   0.764  -9.989  -2.419
  152    HA   VAL  21           HA       VAL  21   2.430 -11.673  -0.724
  153    HB   VAL  21           HB       VAL  21   3.444 -12.454  -2.803
  154   1HG1  VAL  21          1HG1      VAL  21   1.565 -13.599  -1.724
  155   2HG1  VAL  21          2HG1      VAL  21   0.416 -12.627  -2.672
  156   3HG1  VAL  21          3HG1      VAL  21   1.482 -13.789  -3.489
  157   1HG2  VAL  21          1HG2      VAL  21   3.102 -10.578  -4.321
  158   2HG2  VAL  21          2HG2      VAL  21   2.394 -12.058  -4.996
  159   3HG2  VAL  21          3HG2      VAL  21   1.342 -10.838  -4.257
  160    H    GLY  22           H        GLY  22   2.750  -8.794  -2.772
  161   1HA   GLY  22          1HA       GLY  22   5.167  -8.069  -3.237
  162   2HA   GLY  22          2HA       GLY  22   5.299  -8.109  -1.463
  163    H    PHE  23           H        PHE  23   5.749  -5.781  -1.762
  164    HA   PHE  23           HA       PHE  23   4.002  -3.923  -2.840
  165   1HB   PHE  23          1HB       PHE  23   3.029  -2.895  -0.846
  166   2HB   PHE  23          2HB       PHE  23   2.403  -4.528  -1.128
  167    HD1  PHE  23           HD1      PHE  23   3.635  -6.481   0.194
  168    HD2  PHE  23           HD2      PHE  23   3.759  -2.273   1.195
  169    HE1  PHE  23           HE1      PHE  23   4.401  -7.067   2.511
  170    HE2  PHE  23           HE2      PHE  23   4.382  -2.863   3.531
  171    HZ   PHE  23           HZ       PHE  23   4.767  -5.236   4.149
  172    H    THR  24           H        THR  24   4.476  -1.711  -2.202
  173    HA   THR  24           HA       THR  24   7.081  -1.318  -0.861
  174    HB   THR  24           HB       THR  24   6.503   0.120  -3.433
  175    HG1  THR  24           HG1      THR  24   7.801  -1.762  -4.430
  176   1HG2  THR  24          1HG2      THR  24   8.473   0.709  -2.058
  177   2HG2  THR  24          2HG2      THR  24   9.039  -0.976  -2.147
  178   3HG2  THR  24          3HG2      THR  24   8.974   0.020  -3.619
  179    H    ARG  25           H        ARG  25   7.497   1.123  -0.635
  180    HA   ARG  25           HA       ARG  25   5.014   2.306   0.438
  181   1HB   ARG  25          1HB       ARG  25   7.744   3.470   0.903
  182   2HB   ARG  25          2HB       ARG  25   6.306   3.488   1.952
  183   1HG   ARG  25          1HG       ARG  25   7.505   2.018   3.177
  184   2HG   ARG  25          2HG       ARG  25   6.903   0.837   1.990
  185   1HD   ARG  25          1HD       ARG  25   9.349   0.613   2.324
  186   2HD   ARG  25          2HD       ARG  25   8.970   1.109   0.661
  187    HE   ARG  25           HE       ARG  25   9.301   3.403   2.314
  188   1HH1  ARG  25          1HH1      ARG  25  11.104   4.724   2.174
  189   2HH1  ARG  25          2HH1      ARG  25  12.581   4.129   1.448
  190   1HH2  ARG  25          1HH2      ARG  25  11.303   0.955   0.736
  191   2HH2  ARG  25          2HH2      ARG  25  12.695   2.006   0.638
  192    H    GLN  26           H        GLN  26   4.307   4.329  -0.250
  193    HA   GLN  26           HA       GLN  26   5.908   5.650  -2.387
  194   1HB   GLN  26          1HB       GLN  26   3.756   4.412  -3.084
  195   2HB   GLN  26          2HB       GLN  26   2.894   5.694  -2.203
  196   1HG   GLN  26          1HG       GLN  26   4.068   7.385  -3.661
  197   2HG   GLN  26          2HG       GLN  26   4.727   6.034  -4.609
  198   2HE2  GLN  26          2HE2      GLN  26   1.608   7.022  -3.180
  199   1HE2  GLN  26          1HE2      GLN  26   0.631   6.680  -4.592
  200    H    MET  27           H        MET  27   6.542   7.528  -1.851
  201    HA   MET  27           HA       MET  27   5.359   8.971   0.419
  202   1HB   MET  27          1HB       MET  27   7.780   9.893  -1.105
  203   2HB   MET  27          2HB       MET  27   7.365  10.113   0.612
  204   1HG   MET  27          1HG       MET  27   8.970   8.553   0.945
  205   2HG   MET  27          2HG       MET  27   7.693   7.405   0.513
  206   1HE   MET  27          1HE       MET  27   9.205   5.491  -0.452
  207   2HE   MET  27          2HE       MET  27   7.814   5.838  -1.508
  208   3HE   MET  27          3HE       MET  27   9.411   5.515  -2.218
  209    H    ALA  28           H        ALA  28   4.851  11.177   0.267
  210    HA   ALA  28           HA       ALA  28   3.626  12.039  -2.229
  211   1HB   ALA  28          1HB       ALA  28   3.807  13.256   0.564
  212   2HB   ALA  28          2HB       ALA  28   2.483  12.229  -0.037
  213   3HB   ALA  28          3HB       ALA  28   2.764  13.832  -0.761
  214    H    ASP  29           H        ASP  29   5.082  12.800  -3.707
  215    HA   ASP  29           HA       ASP  29   6.333  15.200  -3.520
  216   1HB   ASP  29          1HB       ASP  29   8.016  13.223  -2.217
  217   2HB   ASP  29          2HB       ASP  29   8.819  13.885  -3.658
  218    HD2  ASP  29           HD2      ASP  29   8.541  16.133  -0.477
  219    H    GLU  30           H        GLU  30   7.369  11.965  -4.643
  220    HA   GLU  30           HA       GLU  30   8.412  12.770  -7.134
  221   1HB   GLU  30          1HB       GLU  30   8.547  10.585  -5.597
  222   2HB   GLU  30          2HB       GLU  30   7.279  10.023  -6.713
  223   1HG   GLU  30          1HG       GLU  30   8.896   9.515  -8.198
  224   2HG   GLU  30          2HG       GLU  30   9.246  11.251  -8.341
  225    H    ALA  31           H        ALA  31   6.895  10.623  -8.763
  226    HA   ALA  31           HA       ALA  31   5.029  12.129 -10.156
  227   1HB   ALA  31          1HB       ALA  31   4.262   9.943 -11.019
  228   2HB   ALA  31          2HB       ALA  31   6.040  10.010 -10.925
  229   3HB   ALA  31          3HB       ALA  31   5.116   9.118  -9.692
  230    H    CYS  32           H        CYS  32   4.719  10.726  -7.005
  231    HA   CYS  32           HA       CYS  32   1.788  11.071  -6.993
  232   1HB   CYS  32          1HB       CYS  32   2.952   8.885  -6.214
  233   2HB   CYS  32          2HB       CYS  32   3.438   9.845  -4.795
  234    H    ASP  33           H        ASP  33   0.893  12.580  -5.805
  235    HA   ASP  33           HA       ASP  33   2.636  14.440  -4.315
  236   1HB   ASP  33          1HB       ASP  33   1.091  15.289  -6.082
  237   2HB   ASP  33          2HB       ASP  33  -0.280  14.704  -5.116
  238    HD2  ASP  33           HD2      ASP  33   1.615  17.561  -3.158
  239    H    ILE  34           H        ILE  34   0.688  11.719  -3.666
  240    HA   ILE  34           HA       ILE  34   0.350  12.617  -0.892
  241    HB   ILE  34           HB       ILE  34  -1.668  11.325  -0.644
  242   1HG1  ILE  34          1HG1      ILE  34  -2.024  10.942  -3.570
  243   2HG1  ILE  34          2HG1      ILE  34  -0.906   9.851  -2.720
  244   1HG2  ILE  34          1HG2      ILE  34  -1.862  13.704  -1.196
  245   2HG2  ILE  34          2HG2      ILE  34  -1.873  13.315  -2.932
  246   3HG2  ILE  34          3HG2      ILE  34  -3.215  12.781  -1.891
  247   1HD1  ILE  34          1HD1      ILE  34  -3.789  10.416  -1.927
  248   2HD1  ILE  34          2HD1      ILE  34  -3.202   8.942  -2.732
  249   3HD1  ILE  34          3HD1      ILE  34  -2.670   9.323  -1.077
  250    H    ASN  35           H        ASN  35  -0.136  10.431   0.438
  251    HA   ASN  35           HA       ASN  35   2.156   8.676  -0.235
  252   1HB   ASN  35          1HB       ASN  35   0.545   8.957   2.324
  253   2HB   ASN  35          2HB       ASN  35   1.994   7.956   2.092
  254   2HD2  ASN  35          2HD2      ASN  35   0.738  11.097   2.719
  255   1HD2  ASN  35          1HD2      ASN  35   2.259  11.950   2.856
  256    H    ALA  36           H        ALA  36   1.852   6.503  -0.599
  257    HA   ALA  36           HA       ALA  36  -0.672   5.262  -0.104
  258   1HB   ALA  36          1HB       ALA  36  -1.188   4.542  -2.408
  259   2HB   ALA  36          2HB       ALA  36   0.143   5.551  -3.018
  260   3HB   ALA  36          3HB       ALA  36  -1.268   6.310  -2.245
  261    H    ILE  37           H        ILE  37  -0.619   2.924  -0.438
  262    HA   ILE  37           HA       ILE  37   2.165   1.946  -0.395
  263    HB   ILE  37           HB       ILE  37  -0.434   0.745   0.579
  264   1HG1  ILE  37          1HG1      ILE  37  -0.033   2.595   1.906
  265   2HG1  ILE  37          2HG1      ILE  37   0.576   1.207   2.840
  266   1HG2  ILE  37          1HG2      ILE  37   1.123  -1.019  -0.029
  267   2HG2  ILE  37          2HG2      ILE  37   2.378  -0.290   1.002
  268   3HG2  ILE  37          3HG2      ILE  37   0.902  -0.957   1.734
  269   1HD1  ILE  37          1HD1      ILE  37   2.277   3.236   1.352
  270   2HD1  ILE  37          2HD1      ILE  37   2.054   3.181   3.109
  271   3HD1  ILE  37          3HD1      ILE  37   2.886   1.850   2.287
  272    H    ILE  38           H        ILE  38   2.886   1.228  -2.138
  273    HA   ILE  38           HA       ILE  38   1.272   0.398  -4.393
  274    HB   ILE  38           HB       ILE  38   4.184   0.807  -3.805
  275   1HG1  ILE  38          1HG1      ILE  38   2.711   1.893  -6.170
  276   2HG1  ILE  38          2HG1      ILE  38   2.198   2.475  -4.568
  277   1HG2  ILE  38          1HG2      ILE  38   3.097  -0.312  -6.407
  278   2HG2  ILE  38          2HG2      ILE  38   4.759   0.253  -6.144
  279   3HG2  ILE  38          3HG2      ILE  38   4.161  -1.171  -5.269
  280   1HD1  ILE  38          1HD1      ILE  38   5.047   2.527  -5.652
  281   2HD1  ILE  38          2HD1      ILE  38   3.961   3.930  -5.522
  282   3HD1  ILE  38          3HD1      ILE  38   4.533   3.110  -4.050
  283    H    PHE  39           H        PHE  39   0.115  -1.232  -3.324
  284    HA   PHE  39           HA       PHE  39   1.320  -3.665  -2.380
  285   1HB   PHE  39          1HB       PHE  39  -1.495  -2.922  -3.188
  286   2HB   PHE  39          2HB       PHE  39  -1.053  -4.599  -2.830
  287    HD1  PHE  39           HD1      PHE  39   0.620  -4.738  -0.691
  288    HD2  PHE  39           HD2      PHE  39  -2.387  -1.706  -1.335
  289    HE1  PHE  39           HE1      PHE  39   0.240  -4.607   1.767
  290    HE2  PHE  39           HE2      PHE  39  -2.765  -1.592   1.129
  291    HZ   PHE  39           HZ       PHE  39  -1.464  -3.033   2.666
  292    H    HIS  40           H        HIS  40   1.378  -5.688  -3.321
  293    HA   HIS  40           HA       HIS  40   1.041  -5.859  -6.267
  294   1HB   HIS  40          1HB       HIS  40   3.436  -6.811  -4.626
  295   2HB   HIS  40          2HB       HIS  40   3.185  -7.097  -6.359
  296    HD1  HIS  40           HD1      HIS  40   2.401  -4.216  -7.216
  297    HD2  HIS  40           HD2      HIS  40   5.306  -5.081  -4.456
  298    HE1  HIS  40           HE1      HIS  40   4.162  -2.369  -7.446
  299    HE2  HIS  40           HE2      HIS  40   5.643  -2.728  -5.390
  300    H    THR  41           H        THR  41  -0.961  -6.731  -5.072
  301    HA   THR  41           HA       THR  41  -0.849  -9.155  -3.606
  302    HB   THR  41           HB       THR  41  -3.182  -9.204  -3.879
  303    HG1  THR  41           HG1      THR  41  -3.986  -7.641  -5.746
  304   1HG2  THR  41          1HG2      THR  41  -2.525  -7.201  -2.636
  305   2HG2  THR  41          2HG2      THR  41  -2.461  -6.271  -4.152
  306   3HG2  THR  41          3HG2      THR  41  -4.012  -6.905  -3.561
  307    H    LYS  42           H        LYS  42  -2.325 -11.077  -4.759
  308    HA   LYS  42           HA       LYS  42  -0.631 -11.876  -7.059
  309   1HB   LYS  42          1HB       LYS  42  -1.107 -13.166  -4.756
  310   2HB   LYS  42          2HB       LYS  42  -2.441 -13.827  -5.733
  311   1HG   LYS  42          1HG       LYS  42  -1.028 -14.982  -7.119
  312   2HG   LYS  42          2HG       LYS  42   0.218 -13.712  -7.077
  313   1HD   LYS  42          1HD       LYS  42   1.037 -14.430  -4.973
  314   2HD   LYS  42          2HD       LYS  42  -0.404 -15.426  -4.663
  315   1HE   LYS  42          1HE       LYS  42   1.514 -16.037  -6.943
  316   2HE   LYS  42          2HE       LYS  42   1.753 -16.682  -5.303
  317   1HZ   LYS  42          1HZ       LYS  42  -0.665 -17.001  -6.922
  318   2HZ   LYS  42          2HZ       LYS  42   0.467 -18.149  -6.663
  319   3HZ   LYS  42          3HZ       LYS  42  -0.433 -17.599  -5.408
  320    H    LYS  43           H        LYS  43  -3.908 -10.992  -6.309
  321    HA   LYS  43           HA       LYS  43  -4.712 -11.649  -9.081
  322   1HB   LYS  43          1HB       LYS  43  -5.734 -12.746  -6.759
  323   2HB   LYS  43          2HB       LYS  43  -6.869 -11.417  -7.095
  324   1HG   LYS  43          1HG       LYS  43  -6.027 -13.346  -9.272
  325   2HG   LYS  43          2HG       LYS  43  -7.343 -13.751  -8.145
  326   1HD   LYS  43          1HD       LYS  43  -8.675 -11.910  -8.892
  327   2HD   LYS  43          2HD       LYS  43  -7.310 -11.189  -9.775
  328   1HE   LYS  43          1HE       LYS  43  -7.953 -12.303 -11.617
  329   2HE   LYS  43          2HE       LYS  43  -7.626 -13.834 -10.778
  330   1HZ   LYS  43          1HZ       LYS  43 -10.141 -12.337 -10.656
  331   2HZ   LYS  43          2HZ       LYS  43  -9.864 -13.671 -11.565
  332   3HZ   LYS  43          3HZ       LYS  43  -9.850 -13.786  -9.940
  333    H    ARG  44           H        ARG  44  -3.395  -9.222  -8.096
  334    HA   ARG  44           HA       ARG  44  -5.078  -7.271  -9.392
  335   1HB   ARG  44          1HB       ARG  44  -5.484  -7.548  -6.624
  336   2HB   ARG  44          2HB       ARG  44  -4.367  -6.173  -6.790
  337   1HG   ARG  44          1HG       ARG  44  -5.937  -4.850  -7.787
  338   2HG   ARG  44          2HG       ARG  44  -6.703  -6.213  -8.637
  339   1HD   ARG  44          1HD       ARG  44  -7.597  -7.032  -6.456
  340   2HD   ARG  44          2HD       ARG  44  -6.886  -5.614  -5.654
  341    HE   ARG  44           HE       ARG  44  -8.318  -4.439  -7.564
  342   1HH1  ARG  44          1HH1      ARG  44 -10.512  -3.872  -7.587
  343   2HH1  ARG  44          2HH1      ARG  44 -11.671  -4.797  -6.661
  344   1HH2  ARG  44          1HH2      ARG  44  -9.330  -7.035  -5.377
  345   2HH2  ARG  44          2HH2      ARG  44 -11.012  -6.570  -5.421
  346    H    LYS  45           H        LYS  45  -3.746  -6.028 -10.438
  347    HA   LYS  45           HA       LYS  45  -0.907  -6.153 -10.174
  348   1HB   LYS  45          1HB       LYS  45  -2.885  -4.644 -11.807
  349   2HB   LYS  45          2HB       LYS  45  -1.286  -3.887 -11.598
  350   1HG   LYS  45          1HG       LYS  45  -0.248  -6.088 -12.284
  351   2HG   LYS  45          2HG       LYS  45  -1.883  -6.671 -12.675
  352   1HD   LYS  45          1HD       LYS  45  -1.470  -4.069 -13.874
  353   2HD   LYS  45          2HD       LYS  45  -0.130  -5.149 -14.325
  354   1HE   LYS  45          1HE       LYS  45  -2.727  -6.494 -14.487
  355   2HE   LYS  45          2HE       LYS  45  -2.656  -5.049 -15.520
  356   1HZ   LYS  45          1HZ       LYS  45  -0.692  -7.226 -15.492
  357   2HZ   LYS  45          2HZ       LYS  45  -1.839  -6.985 -16.631
  358   3HZ   LYS  45          3HZ       LYS  45  -0.640  -5.898 -16.461
  359    H    SER  46           H        SER  46   0.211  -3.727 -10.154
  360    HA   SER  46           HA       SER  46   0.617  -3.015  -7.576
  361   1HB   SER  46          1HB       SER  46   0.838  -0.602  -9.005
  362   2HB   SER  46          2HB       SER  46   2.128  -1.780  -8.662
  363    HG   SER  46           HG       SER  46   1.894  -1.299 -10.937
  364    H    VAL  47           H        VAL  47  -0.569  -2.300  -6.042
  365    HA   VAL  47           HA       VAL  47  -3.043  -0.731  -6.682
  366    HB   VAL  47           HB       VAL  47  -2.363  -2.992  -4.925
  367   1HG1  VAL  47          1HG1      VAL  47  -2.709  -1.391  -3.145
  368   2HG1  VAL  47          2HG1      VAL  47  -4.287  -0.945  -3.837
  369   3HG1  VAL  47          3HG1      VAL  47  -4.032  -2.573  -3.183
  370   1HG2  VAL  47          1HG2      VAL  47  -3.832  -3.187  -6.863
  371   2HG2  VAL  47          2HG2      VAL  47  -4.706  -3.600  -5.371
  372   3HG2  VAL  47          3HG2      VAL  47  -4.963  -2.019  -6.140
  373    H    CYS  48           H        CYS  48  -3.215   1.307  -5.807
  374    HA   CYS  48           HA       CYS  48  -1.059   2.103  -3.924
  375   1HB   CYS  48          1HB       CYS  48  -2.291   3.464  -6.241
  376   2HB   CYS  48          2HB       CYS  48  -2.081   4.460  -4.779
  377    H    ALA  49           H        ALA  49  -1.932   1.776  -1.980
  378    HA   ALA  49           HA       ALA  49  -4.529   3.163  -1.509
  379   1HB   ALA  49          1HB       ALA  49  -4.661   0.718  -1.435
  380   2HB   ALA  49          2HB       ALA  49  -4.942   1.426   0.176
  381   3HB   ALA  49          3HB       ALA  49  -3.372   0.674  -0.208
  382    H    ASP  50           H        ASP  50  -4.580   4.809  -0.107
  383    HA   ASP  50           HA       ASP  50  -2.294   6.024   0.878
  384   1HB   ASP  50          1HB       ASP  50  -4.990   6.592   0.773
  385   2HB   ASP  50          2HB       ASP  50  -4.717   6.412   2.520
  386    HD2  ASP  50           HD2      ASP  50  -3.255   9.517   2.673
  387    HA   PRO  51           HA       PRO  51  -1.331   3.552   4.459
  388   1HB   PRO  51          1HB       PRO  51   0.679   5.030   5.562
  389   2HB   PRO  51          2HB       PRO  51   0.840   4.124   4.023
  390   1HG   PRO  51          1HG       PRO  51   0.303   7.056   4.415
  391   2HG   PRO  51          2HG       PRO  51   1.407   6.276   3.236
  392   1HD   PRO  51          1HD       PRO  51  -1.157   7.180   2.665
  393   2HD   PRO  51          2HD       PRO  51  -0.340   5.858   1.778
  394    H    LYS  52           H        LYS  52  -3.651   4.592   4.736
  395    HA   LYS  52           HA       LYS  52  -3.722   5.817   7.441
  396   1HB   LYS  52          1HB       LYS  52  -5.837   6.105   5.291
  397   2HB   LYS  52          2HB       LYS  52  -5.734   6.967   6.846
  398   1HG   LYS  52          1HG       LYS  52  -3.898   7.293   4.456
  399   2HG   LYS  52          2HG       LYS  52  -5.127   8.446   5.028
  400   1HD   LYS  52          1HD       LYS  52  -3.458   7.994   7.247
  401   2HD   LYS  52          2HD       LYS  52  -2.359   8.134   5.853
  402   1HE   LYS  52          1HE       LYS  52  -2.882  10.345   5.516
  403   2HE   LYS  52          2HE       LYS  52  -4.603  10.092   5.880
  404   1HZ   LYS  52          1HZ       LYS  52  -3.966   9.837   8.191
  405   2HZ   LYS  52          2HZ       LYS  52  -2.410  10.191   7.807
  406   3HZ   LYS  52          3HZ       LYS  52  -3.584  11.319   7.606
  407    H    GLN  53           H        GLN  53  -5.296   3.630   5.097
  408    HA   GLN  53           HA       GLN  53  -7.354   2.578   6.668
  409   1HB   GLN  53          1HB       GLN  53  -5.649   1.143   4.595
  410   2HB   GLN  53          2HB       GLN  53  -7.345   0.811   5.021
  411   1HG   GLN  53          1HG       GLN  53  -7.256   3.521   4.238
  412   2HG   GLN  53          2HG       GLN  53  -6.257   2.639   3.061
  413   2HE2  GLN  53          2HE2      GLN  53  -7.822   3.265   1.506
  414   1HE2  GLN  53          1HE2      GLN  53  -9.289   2.330   1.310
  415    H    ASN  54           H        ASN  54  -7.420   0.246   7.448
  416    HA   ASN  54           HA       ASN  54  -5.250  -0.177   9.314
  417   1HB   ASN  54          1HB       ASN  54  -6.678  -2.030  10.147
  418   2HB   ASN  54          2HB       ASN  54  -7.529  -0.470  10.102
  419   2HD2  ASN  54          2HD2      ASN  54  -7.404  -3.718   8.887
  420   1HD2  ASN  54          1HD2      ASN  54  -8.670  -3.608   7.680
  421    H    TRP  55           H        TRP  55  -6.703  -2.016   6.549
  422    HA   TRP  55           HA       TRP  55  -5.000  -4.203   6.628
  423   1HB   TRP  55          1HB       TRP  55  -5.789  -4.704   4.444
  424   2HB   TRP  55          2HB       TRP  55  -7.122  -3.906   5.291
  425    HD1  TRP  55           HD1      TRP  55  -7.493  -1.240   4.598
  426    HE1  TRP  55           HE1      TRP  55  -7.161  -0.050   2.397
  427    HE3  TRP  55           HE3      TRP  55  -4.617  -4.714   2.347
  428    HZ2  TRP  55           HZ2      TRP  55  -6.002  -0.608  -0.109
  429    HZ3  TRP  55           HZ3      TRP  55  -4.447  -4.625  -0.135
  430    HH2  TRP  55           HH2      TRP  55  -5.162  -2.589  -1.363
  431    H    VAL  56           H        VAL  56  -4.633  -1.125   4.925
  432    HA   VAL  56           HA       VAL  56  -2.167  -1.558   3.649
  433    HB   VAL  56           HB       VAL  56  -3.892   0.731   4.444
  434   1HG1  VAL  56          1HG1      VAL  56  -1.660   1.622   4.975
  435   2HG1  VAL  56          2HG1      VAL  56  -1.086   1.124   3.366
  436   3HG1  VAL  56          3HG1      VAL  56  -2.314   2.393   3.518
  437   1HG2  VAL  56          1HG2      VAL  56  -4.166  -0.491   2.311
  438   2HG2  VAL  56          2HG2      VAL  56  -3.698   1.198   2.018
  439   3HG2  VAL  56          3HG2      VAL  56  -2.486  -0.095   1.875
  440    H    LYS  57           H        LYS  57  -2.786   0.391   6.654
  441    HA   LYS  57           HA       LYS  57  -0.154   0.651   7.383
  442   1HB   LYS  57          1HB       LYS  57  -0.850   1.474   9.396
  443   2HB   LYS  57          2HB       LYS  57  -2.296   1.708   8.386
  444   1HG   LYS  57          1HG       LYS  57  -3.426  -0.097   9.407
  445   2HG   LYS  57          2HG       LYS  57  -1.938  -0.697  10.176
  446   1HD   LYS  57          1HD       LYS  57  -1.937   1.550  11.446
  447   2HD   LYS  57          2HD       LYS  57  -3.635   1.676  10.923
  448   1HE   LYS  57          1HE       LYS  57  -4.310  -0.107  12.236
  449   2HE   LYS  57          2HE       LYS  57  -2.757  -0.952  12.072
  450   1HZ   LYS  57          1HZ       LYS  57  -3.208   1.494  13.610
  451   2HZ   LYS  57          2HZ       LYS  57  -3.022   0.010  14.259
  452   3HZ   LYS  57          3HZ       LYS  57  -1.778   0.700  13.470
  453    H    ARG  58           H        ARG  58  -2.332  -2.131   8.033
  454    HA   ARG  58           HA       ARG  58  -0.621  -3.581   9.688
  455   1HB   ARG  58          1HB       ARG  58  -2.878  -4.325   7.858
  456   2HB   ARG  58          2HB       ARG  58  -1.874  -5.607   8.578
  457   1HG   ARG  58          1HG       ARG  58  -2.344  -4.414  10.837
  458   2HG   ARG  58          2HG       ARG  58  -3.662  -3.601   9.961
  459   1HD   ARG  58          1HD       ARG  58  -4.470  -5.836   9.181
  460   2HD   ARG  58          2HD       ARG  58  -3.202  -6.608  10.156
  461    HE   ARG  58           HE       ARG  58  -4.782  -4.804  11.709
  462   1HH1  ARG  58          1HH1      ARG  58  -6.308  -5.603  13.195
  463   2HH1  ARG  58          2HH1      ARG  58  -6.726  -7.302  13.192
  464   1HH2  ARG  58          1HH2      ARG  58  -4.666  -8.115  10.494
  465   2HH2  ARG  58          2HH2      ARG  58  -5.804  -8.714  11.675
  466    H    ALA  59           H        ALA  59  -1.133  -4.115   6.116
  467    HA   ALA  59           HA       ALA  59   0.944  -5.968   5.826
  468   1HB   ALA  59          1HB       ALA  59  -0.824  -5.528   4.186
  469   2HB   ALA  59          2HB       ALA  59  -0.139  -3.916   3.868
  470   3HB   ALA  59          3HB       ALA  59   0.788  -5.377   3.447
  471    H    VAL  60           H        VAL  60   1.006  -2.388   5.599
  472    HA   VAL  60           HA       VAL  60   3.777  -2.119   5.077
  473    HB   VAL  60           HB       VAL  60   1.757  -0.251   6.322
  474   1HG1  VAL  60          1HG1      VAL  60   4.540   0.457   5.314
  475   2HG1  VAL  60          2HG1      VAL  60   3.299   1.625   5.806
  476   3HG1  VAL  60          3HG1      VAL  60   4.000   0.525   7.008
  477   1HG2  VAL  60          1HG2      VAL  60   1.395  -0.981   3.986
  478   2HG2  VAL  60          2HG2      VAL  60   1.834   0.743   4.053
  479   3HG2  VAL  60          3HG2      VAL  60   3.048  -0.466   3.570
  480    H    ASN  61           H        ASN  61   1.960  -2.253   8.208
  481    HA   ASN  61           HA       ASN  61   3.949  -1.700   9.962
  482   1HB   ASN  61          1HB       ASN  61   1.520  -2.216  10.393
  483   2HB   ASN  61          2HB       ASN  61   1.922  -3.941  10.259
  484   2HD2  ASN  61          2HD2      ASN  61   1.049  -4.075  12.421
  485   1HD2  ASN  61          1HD2      ASN  61   2.070  -3.694  13.792
  486    H    LEU  62           H        LEU  62   3.172  -5.003   8.715
  487    HA   LEU  62           HA       LEU  62   5.383  -6.244   9.870
  488   1HB   LEU  62          1HB       LEU  62   4.101  -7.043   7.267
  489   2HB   LEU  62          2HB       LEU  62   5.085  -8.062   8.344
  490    HG   LEU  62           HG       LEU  62   2.232  -7.204   8.585
  491   1HD1  LEU  62          1HD1      LEU  62   2.964  -9.442   7.796
  492   2HD1  LEU  62          2HD1      LEU  62   3.847  -9.691   9.321
  493   3HD1  LEU  62          3HD1      LEU  62   2.071  -9.569   9.331
  494   1HD2  LEU  62          1HD2      LEU  62   3.889  -7.914  11.035
  495   2HD2  LEU  62          2HD2      LEU  62   3.122  -6.339  10.721
  496   3HD2  LEU  62          3HD2      LEU  62   2.120  -7.779  10.995
  497    H    LEU  63           H        LEU  63   5.208  -4.502   6.771
  498    HA   LEU  63           HA       LEU  63   7.911  -4.931   5.977
  499   1HB   LEU  63          1HB       LEU  63   6.752  -4.191   4.221
  500   2HB   LEU  63          2HB       LEU  63   5.661  -3.197   5.215
  501    HG   LEU  63           HG       LEU  63   8.448  -2.231   4.770
  502   1HD1  LEU  63          1HD1      LEU  63   7.749  -2.952   2.525
  503   2HD1  LEU  63          2HD1      LEU  63   6.242  -2.018   2.688
  504   3HD1  LEU  63          3HD1      LEU  63   7.809  -1.179   2.627
  505   1HD2  LEU  63          1HD2      LEU  63   6.913  -0.986   6.220
  506   2HD2  LEU  63          2HD2      LEU  63   7.327  -0.039   4.774
  507   3HD2  LEU  63          3HD2      LEU  63   5.750  -0.851   4.879
  508    H    SER  64           H        SER  64   6.373  -2.550   8.143
  509    HA   SER  64           HA       SER  64   8.449  -0.699   8.323
  510   1HB   SER  64          1HB       SER  64   6.012  -0.679   9.231
  511   2HB   SER  64          2HB       SER  64   6.710  -1.459  10.671
  512    HG   SER  64           HG       SER  64   6.635   0.838  10.874
  513    H    LEU  65           H        LEU  65   7.939  -3.802  10.037
  514    HA   LEU  65           HA       LEU  65  10.350  -3.570  11.629
  515   1HB   LEU  65          1HB       LEU  65   8.581  -5.946  10.960
  516   2HB   LEU  65          2HB       LEU  65   9.830  -5.893  12.228
  517    HG   LEU  65           HG       LEU  65   7.777  -3.744  12.279
  518   1HD1  LEU  65          1HD1      LEU  65   6.401  -5.677  11.694
  519   2HD1  LEU  65          2HD1      LEU  65   7.083  -6.593  13.060
  520   3HD1  LEU  65          3HD1      LEU  65   6.079  -5.155  13.364
  521   1HD2  LEU  65          1HD2      LEU  65   9.534  -3.835  13.974
  522   2HD2  LEU  65          2HD2      LEU  65   7.933  -4.055  14.715
  523   3HD2  LEU  65          3HD2      LEU  65   8.995  -5.459  14.463
  524    H    ARG  66           H        ARG  66   9.515  -4.798   8.415
  525    HA   ARG  66           HA       ARG  66  11.909  -6.363   8.031
  526   1HB   ARG  66          1HB       ARG  66   9.532  -6.628   7.010
  527   2HB   ARG  66          2HB       ARG  66  10.046  -5.360   5.873
  528   1HG   ARG  66          1HG       ARG  66  10.632  -7.330   4.739
  529   2HG   ARG  66          2HG       ARG  66  12.160  -6.877   5.534
  530   1HD   ARG  66          1HD       ARG  66  11.526  -8.381   7.460
  531   2HD   ARG  66          2HD       ARG  66  10.120  -8.920   6.515
  532    HE   ARG  66           HE       ARG  66  12.781  -9.829   6.265
  533   1HH1  ARG  66          1HH1      ARG  66  13.470 -11.166   4.596
  534   2HH1  ARG  66          2HH1      ARG  66  12.538 -11.288   3.121
  535   1HH2  ARG  66          1HH2      ARG  66  10.075  -9.035   4.108
  536   2HH2  ARG  66          2HH2      ARG  66  10.637 -10.096   2.845
  537    H    VAL  67           H        VAL  67  10.681  -3.422   6.315
  538    HA   VAL  67           HA       VAL  67  13.400  -2.653   5.453
  539    HB   VAL  67           HB       VAL  67  10.648  -1.581   4.718
  540   1HG1  VAL  67          1HG1      VAL  67  12.443   0.083   4.348
  541   2HG1  VAL  67          2HG1      VAL  67  13.348  -1.111   3.386
  542   3HG1  VAL  67          3HG1      VAL  67  11.791  -0.489   2.799
  543   1HG2  VAL  67          1HG2      VAL  67  10.993  -3.908   3.890
  544   2HG2  VAL  67          2HG2      VAL  67  10.980  -2.758   2.536
  545   3HG2  VAL  67          3HG2      VAL  67  12.523  -3.406   3.130
  546    H    LYS  68           H        LYS  68  12.947  -2.611   8.240
  547    HA   LYS  68           HA       LYS  68  12.129  -0.046   9.162
  548   1HB   LYS  68          1HB       LYS  68  13.141  -0.580  11.254
  549   2HB   LYS  68          2HB       LYS  68  12.292  -2.020  10.640
  550   1HG   LYS  68          1HG       LYS  68  14.313  -3.150  10.165
  551   2HG   LYS  68          2HG       LYS  68  15.273  -1.654  10.230
  552   1HD   LYS  68          1HD       LYS  68  15.731  -2.220  12.383
  553   2HD   LYS  68          2HD       LYS  68  14.053  -1.737  12.738
  554   1HE   LYS  68          1HE       LYS  68  13.766  -4.319  11.727
  555   2HE   LYS  68          2HE       LYS  68  15.264  -4.425  12.678
  556   1HZ   LYS  68          1HZ       LYS  68  14.050  -3.369  14.498
  557   2HZ   LYS  68          2HZ       LYS  68  12.679  -3.400  13.593
  558   3HZ   LYS  68          3HZ       LYS  68  13.388  -4.798  14.037
  559    H    LYS  69           H        LYS  69  13.209   1.826   9.502
  560    HA   LYS  69           HA       LYS  69  16.069   1.889   8.736
  561   1HB   LYS  69          1HB       LYS  69  14.004   2.776   7.126
  562   2HB   LYS  69          2HB       LYS  69  14.513   4.261   7.965
  563   1HG   LYS  69          1HG       LYS  69  16.639   2.430   6.893
  564   2HG   LYS  69          2HG       LYS  69  15.720   3.415   5.729
  565   1HD   LYS  69          1HD       LYS  69  17.138   4.596   8.138
  566   2HD   LYS  69          2HD       LYS  69  17.913   4.409   6.548
  567   1HE   LYS  69          1HE       LYS  69  15.464   5.628   5.956
  568   2HE   LYS  69          2HE       LYS  69  15.981   6.421   7.460
  569   1HZ   LYS  69          1HZ       LYS  69  17.628   6.096   5.063
  570   2HZ   LYS  69          2HZ       LYS  69  16.870   7.469   5.507
  571   3HZ   LYS  69          3HZ       LYS  69  18.075   6.874   6.439
  572    H    MET  70           H        MET  70  17.043   2.207  10.545
  573    HA   MET  70           HA       MET  70  15.966   3.786  12.695
  574   1HB   MET  70          1HB       MET  70  18.052   3.317  13.832
  575   2HB   MET  70          2HB       MET  70  17.416   1.837  13.073
  576   1HG   MET  70          1HG       MET  70  19.076   1.801  11.441
  577   2HG   MET  70          2HG       MET  70  19.441   3.525  11.624
  578   1HE   MET  70          1HE       MET  70  19.472   0.127  13.686
  579   2HE   MET  70          2HE       MET  70  20.582   0.037  12.298
  580   3HE   MET  70          3HE       MET  70  21.229   0.012  13.955

  No H/Q in entry =         580