*HEADER    TRANSPORT PROTEIN                       14-DEC-00   1HQB
*TITLE     TERTIARY STRUCTURE OF APO-D-ALANYL CARRIER PROTEIN
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: APO-D-ALANYL CARRIER PROTEIN;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: RESIDUES 2-81;
*COMPND   5 SYNONYM: APO-DCP;
*COMPND   6 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI;
*SOURCE   3 ORGANISM_COMMON: BACTERIA;
*SOURCE   4 GENE: DLTC;
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PDCP1
*KEYWDS    3-HELIX BUNDLE
*EXPDTA    NMR
*AUTHOR    B.F.VOLKMAN, Q.ZHANG, D.V.DEBABOV, E.RIVERA, G.KRESHECK,
*AUTHOR   2 F.C.NEUHAUS
*REVDAT   1   01-AUG-01 1HQB    0
  3 ASP- HA      4 GLU- HN      2.76                
  3 ASP- HA      5 ALA  HN      4.27                
  3 ASP- HA      6 ILE  QD1     6.92                
  3 ASP- QB      5 ALA  HN      6.16                
  3 ASP- QB      6 ILE  HN      5.69                
  3 ASP- QB      6 ILE  HB      6.44                
  3 ASP- QB      6 ILE  QD1     7.80                
  3 ASP- QB      7 LYS+ HN      6.23                
  4 GLU- HN      4 GLU- QG      5.29                
  4 GLU- HN      5 ALA  HN      3.55                
  4 GLU- HN      5 ALA  QB      7.03                
  4 GLU- HA      5 ALA  HN      3.44                
  4 GLU- HA      6 ILE  HN      3.30                
  4 GLU- HA      7 LYS+ HN      4.06                
  4 GLU- HA      7 LYS+ HB2     3.70                
  4 GLU- HA      7 LYS+ HB3     3.70                
  4 GLU- HA      7 LYS+ QB      3.24                
  4 GLU- HA      8 ASN  HN      3.98                
  4 GLU- HA      8 ASN  QB      5.29                
  4 GLU- QB      8 ASN  HD21    6.88                
  4 GLU- QB      8 ASN  HD22    6.88                
  4 GLU- QG      5 ALA  HN      6.88                
  4 GLU- QG      5 ALA  HA      6.88                
  4 GLU- QG      8 ASN  HN      6.88                
  4 GLU- QG      8 ASN  HD21    6.88                
  4 GLU- QG      8 ASN  HD22    6.88                
  5 ALA  HN      6 ILE  HN      3.41                
  5 ALA  HN      6 ILE  HA      4.96                
  5 ALA  HN      6 ILE  HB      4.52                
  5 ALA  HN      6 ILE  QG1     6.88                
  5 ALA  HN      6 ILE  QD1     7.03                
  5 ALA  HA      6 ILE  HN      3.34                
  5 ALA  HA      8 ASN  HN      3.70                
  5 ALA  HA      8 ASN  HB2     3.55                
  5 ALA  HA      8 ASN  HB3     3.55                
  5 ALA  HA      8 ASN  QB      3.28                
  5 ALA  HA      8 ASN  HD21    5.64                
  5 ALA  HA      8 ASN  HD22    5.64                
  5 ALA  HA      8 ASN  QD2     5.17                
  5 ALA  QB      6 ILE  HA      6.56                
  5 ALA  QB      8 ASN  HN      7.03                
  5 ALA  QB      8 ASN  QB      7.65                
  5 ALA  QB      9 GLY  HN      7.03                
  6 ILE  HN      6 ILE  HB      2.76                
  6 ILE  HN      6 ILE  HG12    4.16                
  6 ILE  HN      6 ILE  HG13    4.16                
  6 ILE  HN      6 ILE  QG1     3.75                
  6 ILE  HN      6 ILE  QD1     5.59                
  6 ILE  HA      6 ILE  HG12    3.91                
  6 ILE  HA      6 ILE  HG13    3.91                
  6 ILE  HA      6 ILE  QG1     3.67                
  6 ILE  HA      6 ILE  QD1     4.90                
  6 ILE  HA      9 GLY  HN      3.80                
  6 ILE  HA     10 VAL  HN      4.31                
  6 ILE  HA     10 VAL  QQG     7.69                
  6 ILE  HA     53 PHE  HZ      3.95                
  6 ILE  HA     77 VAL  QQG     8.41                
  6 ILE  QG2     7 LYS+ HN      5.95                
  6 ILE  QG2     7 LYS+ HA      5.91                
  6 ILE  QG2    10 VAL  HN      7.03                
  6 ILE  QG2    53 PHE  HZ      6.31                
  6 ILE  QG2    74 ILE  HA      5.62                
  6 ILE  QG2    77 VAL  HN      7.03                
  6 ILE  QG2    77 VAL  HB      5.34                
  6 ILE  QG2    78 GLU- HN      6.09                
  6 ILE  QG2    78 GLU- HA      5.84                
  6 ILE  QG2    78 GLU- HG2     6.02                
  6 ILE  QG2    78 GLU- HG3     6.02                
  6 ILE  QG2    78 GLU- QG      5.78                
  6 ILE  QG2    81 GLN  QG      7.90                
  6 ILE  HG12   77 VAL  QG1     9.97                
  6 ILE  HG12   77 VAL  QG2     9.97                
  6 ILE  HG13   77 VAL  QG1     9.97                
  6 ILE  HG13   77 VAL  QG2     9.97                
  6 ILE  QG1     7 LYS+ HN      6.88                
  6 ILE  QG1    52 GLN  QB      4.94                
  6 ILE  QG1    53 PHE  QB      6.28                
  6 ILE  QG1    53 PHE  HZ      6.70                
  6 ILE  QG1    77 VAL  QQG     8.06                
  6 ILE  QD1     7 LYS+ HN      6.42                
  6 ILE  QD1    53 PHE  QD      9.15                
  6 ILE  QD1    77 VAL  QQG     8.28                
  6 ILE  QD1    78 GLU- HA      5.30                
  6 ILE  QD1    81 GLN  HG2     5.77                
  6 ILE  QD1    81 GLN  HG3     5.77                
  6 ILE  QD1    81 GLN  QG      5.49                
  6 ILE  QD1    81 GLN  QE2     7.89                
  7 LYS+ HN      7 LYS+ HB2     3.26                
  7 LYS+ HN      7 LYS+ HB3     3.26                
  7 LYS+ HN      7 LYS+ QB      3.00                
  7 LYS+ HN      7 LYS+ HG2     6.00                
  7 LYS+ HN      7 LYS+ HG3     6.00                
  7 LYS+ HN      7 LYS+ QD      6.55                
  7 LYS+ HN      8 ASN  HN      3.59                
  7 LYS+ HN     10 VAL  QQG     8.59                
  7 LYS+ HA     10 VAL  HN      4.20                
  7 LYS+ HA     10 VAL  HB      3.48                
  7 LYS+ HA     10 VAL  QG1     4.69                
  7 LYS+ HA     10 VAL  QG2     4.69                
  7 LYS+ HA     10 VAL  QQG     4.29                
  7 LYS+ HA     11 LEU  HN      4.49                
  7 LYS+ HA     74 ILE  QG2     4.80                
  7 LYS+ HA     74 ILE  HG12    5.32                
  7 LYS+ HA     74 ILE  HG13    5.32                
  7 LYS+ HA     74 ILE  QG1     4.93                
  7 LYS+ HA     74 ILE  QD1     4.87                
  7 LYS+ HB2     8 ASN  HN      3.62                
  7 LYS+ HB3     8 ASN  HN      3.62                
  7 LYS+ QB      8 ASN  HN      3.30                
  7 LYS+ QB      9 GLY  HN      5.69                
  7 LYS+ HG2     8 ASN  HN      6.00                
  7 LYS+ HG3     8 ASN  HN      6.00                
  7 LYS+ QG      8 ASN  HN      5.62                
  7 LYS+ QG     11 LEU  QQD     7.75                
  7 LYS+ QG     74 ILE  QG1     7.57                
  7 LYS+ QG     74 ILE  QD1     5.60                
  7 LYS+ QD      8 ASN  HN      6.88                
  7 LYS+ QD     11 LEU  QQD     7.17                
  7 LYS+ QE     74 ILE  QD1     7.90                
  8 ASN  HN      8 ASN  HB2     3.23                
  8 ASN  HN      8 ASN  HB3     3.23                
  8 ASN  HN      8 ASN  QB      3.01                
  8 ASN  HN      8 ASN  HD21    6.00                
  8 ASN  HN      8 ASN  HD22    6.00                
  8 ASN  HN      9 GLY  HN      3.55                
  8 ASN  HN     10 VAL  QQG     8.59                
  8 ASN  HA     10 VAL  HN      4.96                
  8 ASN  HA     11 LEU  HN      3.62                
  8 ASN  HA     11 LEU  HB2     3.52                
  8 ASN  HA     11 LEU  HB3     3.52                
  8 ASN  HA     11 LEU  QB      3.21                
  8 ASN  HA     11 LEU  QD1     6.96                
  8 ASN  HA     11 LEU  QD2     6.96                
  8 ASN  HA     11 LEU  QQD     5.81                
  8 ASN  HB2     9 GLY  HN      3.84                
  8 ASN  HB3     9 GLY  HN      3.84                
  8 ASN  QB      9 GLY  HN      3.59                
  8 ASN  QD2     9 GLY  HN      6.87                
  9 GLY  HN     10 VAL  HN      3.55                
  9 GLY  HN     13 ILE  QD1     7.03                
  9 GLY  HN     53 PHE  HZ      5.75                
  9 GLY  HA1    12 ASP- HB2     4.31                
  9 GLY  HA1    12 ASP- HB3     4.31                
  9 GLY  HA1    13 ILE  QD1     7.03                
  9 GLY  HA1    53 PHE  HZ      4.42                
  9 GLY  HA2    12 ASP- HB2     4.31                
  9 GLY  HA2    12 ASP- HB3     4.31                
  9 GLY  HA2    13 ILE  QD1     7.03                
  9 GLY  HA2    53 PHE  HZ      4.42                
  9 GLY  QA     12 ASP- HN      5.15                
  9 GLY  QA     12 ASP- QB      3.73                
  9 GLY  QA     13 ILE  HN      5.90                
  9 GLY  QA     13 ILE  QD1     6.86                
  9 GLY  QA     52 GLN  QG      7.75                
  9 GLY  QA     53 PHE  HZ      4.08                
 10 VAL  HN     10 VAL  HB      3.08                
 10 VAL  HN     11 LEU  HN      3.66                
 10 VAL  HN     11 LEU  QQD     8.06                
 10 VAL  HN     53 PHE  HZ      5.42                
 10 VAL  HN     74 ILE  QG1     6.88                
 10 VAL  HA     13 ILE  HN      3.84                
 10 VAL  HA     13 ILE  HB      3.05                
 10 VAL  HA     13 ILE  QG2     4.36                
 10 VAL  HA     13 ILE  QG1     5.90                
 10 VAL  HA     13 ILE  QD1     4.83                
 10 VAL  HA     14 LEU  HN      4.49                
 10 VAL  HA     53 PHE  HZ      5.03                
 10 VAL  HB     11 LEU  HN      3.62                
 10 VAL  QG1    11 LEU  HN      7.03                
 10 VAL  QG1    74 ILE  HA      5.59                
 10 VAL  QG2    11 LEU  HN      7.03                
 10 VAL  QG2    74 ILE  HA      5.59                
 10 VAL  QQG    11 LEU  HN      6.11                
 10 VAL  QQG    14 LEU  HN      8.59                
 10 VAL  QQG    53 PHE  HZ      7.33                
 10 VAL  QQG    74 ILE  HN      7.33                
 10 VAL  QQG    74 ILE  HA      5.29                
 11 LEU  HN     11 LEU  HB2     3.70                
 11 LEU  HN     11 LEU  HB3     3.70                
 11 LEU  HN     11 LEU  QB      3.24                
 11 LEU  HN     11 LEU  HG      4.60                
 11 LEU  HN     11 LEU  QD1     5.16                
 11 LEU  HN     11 LEU  QD2     5.16                
 11 LEU  HN     11 LEU  QQD     4.80                
 11 LEU  HN     12 ASP- HN      3.98                
 11 LEU  HN     12 ASP- QB      5.51                
 11 LEU  HN     74 ILE  QG1     6.88                
 11 LEU  HA     11 LEU  HG      2.98                
 11 LEU  HA     11 LEU  QD1     4.36                
 11 LEU  HA     11 LEU  QD2     4.36                
 11 LEU  HA     11 LEU  QQD     3.83                
 11 LEU  HA     14 LEU  HN      3.59                
 11 LEU  HA     14 LEU  HB2     3.80                
 11 LEU  HA     14 LEU  HB3     3.80                
 11 LEU  HA     14 LEU  QB      3.54                
 11 LEU  HA     15 ALA  HN      4.20                
 11 LEU  HA     15 ALA  QB      6.42                
 11 LEU  HB2    12 ASP- HN      4.06                
 11 LEU  HB3    12 ASP- HN      4.06                
 11 LEU  QB     12 ASP- HN      3.69                
 11 LEU  QD1    12 ASP- HN      6.81                
 11 LEU  QD1    14 LEU  HB2     7.66                
 11 LEU  QD1    14 LEU  HB3     7.66                
 11 LEU  QD1    15 ALA  HN      7.03                
 11 LEU  QD1    24 LYS+ HA      4.98                
 11 LEU  QD2    12 ASP- HN      6.81                
 11 LEU  QD2    14 LEU  HB2     7.66                
 11 LEU  QD2    14 LEU  HB3     7.66                
 11 LEU  QD2    15 ALA  HN      7.03                
 11 LEU  QD2    24 LYS+ HA      4.98                
 11 LEU  QQD    12 ASP- HN      6.39                
 11 LEU  QQD    12 ASP- QB      7.89                
 11 LEU  QQD    13 ILE  HN      8.60                
 11 LEU  QQD    14 LEU  HA      7.45                
 11 LEU  QQD    14 LEU  QB      5.70                
 11 LEU  QQD    15 ALA  HN      5.93                
 11 LEU  QQD    24 LYS+ HA      4.48                
 11 LEU  QQD    70 PRO  QG      8.75                
 12 ASP- HN     12 ASP- HB2     3.37                
 12 ASP- HN     12 ASP- HB3     3.37                
 12 ASP- HN     12 ASP- QB      3.15                
 12 ASP- HN     13 ILE  HN      3.66                
 12 ASP- HN     14 LEU  HN      4.63                
 12 ASP- HN     15 ALA  QB      7.03                
 12 ASP- HA     14 LEU  HN      4.85                
 12 ASP- HA     15 ALA  HN      3.62                
 12 ASP- HA     15 ALA  QB      4.54                
 12 ASP- HA     16 ASP- HN      4.13                
 12 ASP- HB2    13 ILE  HN      3.84                
 12 ASP- HB3    13 ILE  HN      3.84                
 13 ILE  HN     13 ILE  HB      3.34                
 13 ILE  HN     13 ILE  HG12    4.81                
 13 ILE  HN     13 ILE  HG13    4.81                
 13 ILE  HN     13 ILE  QG1     4.28                
 13 ILE  HN     13 ILE  QD1     5.41                
 13 ILE  HN     14 LEU  HN      3.62                
 13 ILE  HN     15 ALA  HN      5.64                
 13 ILE  HA     13 ILE  HG12    3.80                
 13 ILE  HA     13 ILE  HG13    3.80                
 13 ILE  HA     13 ILE  QG1     3.59                
 13 ILE  HA     14 LEU  HN      3.59                
 13 ILE  HA     16 ASP- HN      3.95                
 13 ILE  HA     16 ASP- QB      4.61                
 13 ILE  HA     17 LEU  HN      4.45                
 13 ILE  QG2    14 LEU  HN      5.91                
 13 ILE  QG2    16 ASP- HN      6.49                
 13 ILE  QG2    17 LEU  HN      6.96                
 13 ILE  QG2    48 GLU- QG      7.83                
 13 ILE  HG12   48 GLU- HB2     7.75                
 13 ILE  HG12   48 GLU- HB3     7.75                
 13 ILE  HG13   48 GLU- HB2     7.75                
 13 ILE  HG13   48 GLU- HB3     7.75                
 13 ILE  QG1    16 ASP- HN      6.84                
 13 ILE  QG1    48 GLU- QB      6.52                
 13 ILE  QG1    48 GLU- QG      7.75                
 13 ILE  QG1    52 GLN  QE2     7.74                
 13 ILE  QD1    14 LEU  HN      7.03                
 13 ILE  QD1    48 GLU- QB      5.67                
 13 ILE  QD1    48 GLU- QG      7.90                
 13 ILE  QD1    52 GLN  QB      6.75                
 13 ILE  QD1    52 GLN  HG2     5.91                
 13 ILE  QD1    52 GLN  HG3     5.91                
 13 ILE  QD1    52 GLN  QG      5.05                
 13 ILE  QD1    52 GLN  HE21    6.49                
 13 ILE  QD1    52 GLN  HE22    6.49                
 13 ILE  QD1    52 GLN  QE2     6.36                
 13 ILE  QD1    53 PHE  HZ      4.80                
 14 LEU  HN     14 LEU  HB2     3.59                
 14 LEU  HN     14 LEU  HB3     3.59                
 14 LEU  HN     14 LEU  QB      3.19                
 14 LEU  HN     14 LEU  QQD     6.55                
 14 LEU  HN     15 ALA  HN      3.59                
 14 LEU  HN     15 ALA  HA      5.14                
 14 LEU  HN     15 ALA  QB      7.03                
 14 LEU  HN     16 ASP- HN      4.70                
 14 LEU  HA     17 LEU  HN      3.62                
 14 LEU  HA     17 LEU  HB2     3.66                
 14 LEU  HA     17 LEU  HB3     3.66                
 14 LEU  HA     17 LEU  QB      3.39                
 14 LEU  HA     18 THR  HN      4.13                
 14 LEU  HA     18 THR  QG2     5.30                
 14 LEU  HB2    15 ALA  HN      3.84                
 14 LEU  HB3    15 ALA  HN      3.84                
 14 LEU  QB     15 ALA  HN      3.63                
 14 LEU  QB     15 ALA  QB      7.33                
 15 ALA  HN     16 ASP- HN      3.44                
 15 ALA  HN     16 ASP- QB      5.87                
 15 ALA  HN     17 LEU  HN      5.03                
 15 ALA  HN     23 VAL  QQG     7.83                
 15 ALA  HA     16 ASP- HN      3.52                
 15 ALA  HA     18 THR  HN      3.55                
 15 ALA  HA     18 THR  HG1     3.05                
 15 ALA  HA     23 VAL  QQG     5.71                
 15 ALA  QB     16 ASP- HA      5.95                
 15 ALA  QB     19 GLY  HN      7.03                
 15 ALA  QB     20 SER  HN      7.03                
 15 ALA  QB     21 ASP- HN      7.03                
 15 ALA  QB     21 ASP- HA      4.69                
 15 ALA  QB     23 VAL  QQG     8.07                
 15 ALA  QB     24 LYS+ QG      4.70                
 16 ASP- HN     17 LEU  HN      3.37                
 16 ASP- HN     24 LYS+ QB      6.88                
 16 ASP- HA     17 LEU  QQD     8.13                
 16 ASP- QB     18 THR  HN      6.77                
 17 LEU  HN     17 LEU  HB2     3.41                
 17 LEU  HN     17 LEU  HB3     3.41                
 17 LEU  HN     17 LEU  QB      3.13                
 17 LEU  HN     17 LEU  HG      4.31                
 17 LEU  HN     18 THR  HN      3.62                
 17 LEU  HN     18 THR  QG2     7.03                
 17 LEU  HN     19 GLY  HN      4.88                
 17 LEU  HN     37 LEU  QQD     8.60                
 17 LEU  HN     45 LEU  QQD     7.77                
 17 LEU  HA     17 LEU  HG      2.90                
 17 LEU  HB2    18 THR  HN      3.91                
 17 LEU  HB2    37 LEU  QD1     8.91                
 17 LEU  HB2    37 LEU  QD2     8.91                
 17 LEU  HB3    18 THR  HN      3.91                
 17 LEU  HB3    37 LEU  QD1     8.91                
 17 LEU  HB3    37 LEU  QD2     8.91                
 17 LEU  QB     17 LEU  HG      2.71                
 17 LEU  QB     18 THR  HN      3.69                
 17 LEU  QB     19 GLY  HN      6.01                
 17 LEU  QB     37 LEU  QB      6.89                
 17 LEU  QB     37 LEU  QQD     7.09                
 17 LEU  QB     41 GLY  QA      7.75                
 17 LEU  HG     18 THR  HN      5.10                
 17 LEU  QQD    44 GLN  QE2     9.00                
 18 THR  HN     18 THR  HB      3.91                
 18 THR  HN     18 THR  QG2     4.22                
 18 THR  HN     18 THR  HG1     3.77                
 18 THR  HN     19 GLY  HN      3.37                
 18 THR  HN     19 GLY  QA      5.72                
 18 THR  HN     20 SER  HN      4.24                
 18 THR  HN     37 LEU  QQD     8.60                
 18 THR  HA     18 THR  HB      2.51                
 18 THR  HA     20 SER  HN      4.63                
 18 THR  HA     31 LEU  QQD     7.27                
 18 THR  HB     19 GLY  HN      4.16                
 18 THR  HB     20 SER  HN      4.34                
 18 THR  HB     20 SER  QB      6.88                
 18 THR  HB     31 LEU  QQD     8.60                
 18 THR  HB     36 LEU  HA      3.66                
 18 THR  HB     36 LEU  HB2     5.46                
 18 THR  HB     36 LEU  HB3     5.46                
 18 THR  HB     36 LEU  QB      4.74                
 18 THR  HB     36 LEU  HG      6.00                
 18 THR  HB     36 LEU  QQD     6.37                
 18 THR  QG2    19 GLY  HN      6.70                
 18 THR  QG2    20 SER  HN      6.88                
 18 THR  QG2    20 SER  QB      7.90                
 18 THR  QG2    31 LEU  QQD     7.00                
 18 THR  QG2    36 LEU  HA      5.23                
 18 THR  QG2    36 LEU  QB      5.74                
 18 THR  HG1    19 GLY  HN      5.28                
 18 THR  HG1    20 SER  HN      4.49                
 18 THR  HG1    23 VAL  QG1     6.67                
 18 THR  HG1    23 VAL  QG2     6.67                
 18 THR  HG1    23 VAL  QQG     5.83                
 19 GLY  HN     20 SER  HN      3.48                
 19 GLY  HN     20 SER  QB      6.23                
 20 SER  HN     21 ASP- HN      4.52                
 20 SER  HA     21 ASP- HN      3.23                
 20 SER  QB     22 ASP- HN      5.22                
 20 SER  QB     23 VAL  HN      6.41                
 20 SER  QB     23 VAL  QQG     8.46                
 21 ASP- HN     21 ASP- HB2     3.30                
 21 ASP- HN     21 ASP- HB3     3.30                
 21 ASP- HN     21 ASP- QB      3.07                
 21 ASP- HN     22 ASP- HA      4.81                
 21 ASP- HA     21 ASP- HB2     3.01                
 21 ASP- HA     21 ASP- HB3     3.01                
 21 ASP- HA     23 VAL  HN      3.95                
 21 ASP- HA     23 VAL  QQG     6.79                
 21 ASP- HA     24 LYS+ HN      3.91                
 21 ASP- HA     24 LYS+ QG      6.48                
 21 ASP- HA     24 LYS+ QD      5.90                
 21 ASP- HB2    24 LYS+ HD2     7.18                
 21 ASP- HB2    24 LYS+ HD3     7.18                
 21 ASP- HB3    24 LYS+ HD2     7.18                
 21 ASP- HB3    24 LYS+ HD3     7.18                
 21 ASP- QB     24 LYS+ QD      6.08                
 22 ASP- HN     22 ASP- HB2     3.16                
 22 ASP- HN     22 ASP- HB3     3.16                
 22 ASP- HN     23 VAL  HN      3.34                
 22 ASP- HN     24 LYS+ HN      5.03                
 22 ASP- HN     25 LYS+ HN      5.17                
 22 ASP- HB2    23 VAL  HN      4.02                
 22 ASP- HB2    29 LEU  QD1     6.16                
 22 ASP- HB2    29 LEU  QD2     6.16                
 22 ASP- HB3    23 VAL  HN      4.02                
 22 ASP- HB3    29 LEU  QD1     6.16                
 22 ASP- HB3    29 LEU  QD2     6.16                
 22 ASP- QB     23 VAL  HN      3.78                
 22 ASP- QB     29 LEU  QQD     5.49                
 23 VAL  HN     23 VAL  HB      3.77                
 23 VAL  HN     23 VAL  QG1     4.76                
 23 VAL  HN     23 VAL  QG2     4.76                
 23 VAL  HN     23 VAL  QQG     4.13                
 23 VAL  HN     24 LYS+ QB      4.54                
 23 VAL  HN     29 LEU  QQD     8.42                
 23 VAL  HN     70 PRO  QG      6.88                
 23 VAL  HA     23 VAL  HB      2.65                
 23 VAL  HA     25 LYS+ HN      3.95                
 23 VAL  HA     26 ASN  HN      3.73                
 23 VAL  HA     26 ASN  QD2     6.87                
 23 VAL  HA     29 LEU  QQD     6.19                
 23 VAL  HA     70 PRO  HG2     4.67                
 23 VAL  HA     70 PRO  HG3     4.67                
 23 VAL  HA     70 PRO  QG      4.34                
 23 VAL  HB     24 LYS+ HN      4.31                
 23 VAL  QG1    24 LYS+ HN      5.98                
 23 VAL  QG1    70 PRO  HD2     9.97                
 23 VAL  QG1    70 PRO  HD3     9.97                
 23 VAL  QG2    24 LYS+ HN      5.98                
 23 VAL  QG2    70 PRO  HD2     9.97                
 23 VAL  QG2    70 PRO  HD3     9.97                
 23 VAL  QQG    24 LYS+ HN      5.26                
 23 VAL  QQG    24 LYS+ HA      8.30                
 23 VAL  QQG    70 PRO  QG      7.52                
 23 VAL  QQG    70 PRO  QD      8.06                
 24 LYS+ HN     24 LYS+ QG      5.69                
 24 LYS+ HN     25 LYS+ HN      3.37                
 25 LYS+ HN     25 LYS+ HB2     3.55                
 25 LYS+ HN     25 LYS+ HB3     3.55                
 25 LYS+ HN     25 LYS+ HG2     5.24                
 25 LYS+ HN     25 LYS+ HG3     5.24                
 25 LYS+ HN     25 LYS+ QG      4.87                
 25 LYS+ HN     25 LYS+ QD      6.88                
 25 LYS+ HN     25 LYS+ QE      6.88                
 25 LYS+ HN     26 ASN  HN      3.30                
 25 LYS+ HA     25 LYS+ QG      3.91                
 25 LYS+ HA     27 LEU  HG      4.67                
 25 LYS+ HA     27 LEU  QQD     8.13                
 25 LYS+ HB2    26 ASN  HN      3.91                
 25 LYS+ HB3    26 ASN  HN      3.91                
 25 LYS+ QG     26 ASN  HN      6.88                
 25 LYS+ QD     26 ASN  HN      6.88                
 25 LYS+ QD     28 ASP- HN      6.88                
 26 ASN  HN     26 ASN  HB2     3.52                
 26 ASN  HN     26 ASN  HB3     3.52                
 26 ASN  HN     27 LEU  HN      4.63                
 26 ASN  HA     26 ASN  HB2     3.05                
 26 ASN  HA     26 ASN  HB3     3.05                
 26 ASN  HA     27 LEU  HN      2.72                
 26 ASN  HA     28 ASP- HN      3.95                
 26 ASN  HB2    29 LEU  HN      4.88                
 26 ASN  HB2    29 LEU  QB      5.94                
 26 ASN  HB2    29 LEU  QD1     6.63                
 26 ASN  HB2    29 LEU  QD2     6.63                
 26 ASN  HB3    29 LEU  HN      4.88                
 26 ASN  HB3    29 LEU  QB      5.94                
 26 ASN  HB3    29 LEU  QD1     6.63                
 26 ASN  HB3    29 LEU  QD2     6.63                
 26 ASN  QB     28 ASP- HN      6.05                
 26 ASN  QB     29 LEU  HN      4.54                
 26 ASN  QB     29 LEU  HA      5.40                
 26 ASN  QB     29 LEU  QB      5.82                
 26 ASN  QB     29 LEU  QQD     6.06                
 26 ASN  HD21   29 LEU  QD1     9.34                
 26 ASN  HD21   29 LEU  QD2     9.34                
 26 ASN  HD22   29 LEU  QD1     9.34                
 26 ASN  HD22   29 LEU  QD2     9.34                
 26 ASN  QD2    29 LEU  HN      6.87                
 26 ASN  QD2    29 LEU  HA      6.65                
 26 ASN  QD2    29 LEU  QQD     7.51                
 27 LEU  HN     27 LEU  HG      3.95                
 27 LEU  HN     27 LEU  QQD     7.05                
 27 LEU  HN     28 ASP- HN      3.55                
 27 LEU  HN     29 LEU  HN      4.67                
 27 LEU  HA     27 LEU  HG      3.59                
 27 LEU  HA     29 LEU  HN      3.84                
 27 LEU  HA     70 PRO  QB      4.10                
 27 LEU  HA     70 PRO  QG      4.36                
 27 LEU  HA     71 ASN  HN      3.98                
 27 LEU  QB     70 PRO  QB      7.43                
 27 LEU  QB     71 ASN  HN      6.30                
 27 LEU  QB     71 ASN  HA      6.01                
 27 LEU  QB     71 ASN  HB2     6.88                
 27 LEU  QB     71 ASN  HB3     6.88                
 27 LEU  QB     71 ASN  HD21    6.59                
 27 LEU  QB     71 ASN  HD22    6.59                
 27 LEU  QB     71 ASN  QD2     6.37                
 27 LEU  QQD    28 ASP- HN      8.13                
 27 LEU  QQD    70 PRO  QG      8.68                
 27 LEU  QQD    71 ASN  HN      8.02                
 27 LEU  QQD    71 ASN  HB2     8.13                
 27 LEU  QQD    71 ASN  HB3     8.13                
 27 LEU  QQD    71 ASN  HD21    8.13                
 27 LEU  QQD    71 ASN  HD22    8.13                
 28 ASP- HN     28 ASP- HB2     3.48                
 28 ASP- HN     28 ASP- HB3     3.48                
 28 ASP- HN     28 ASP- QB      3.28                
 28 ASP- HN     29 LEU  HN      3.23                
 28 ASP- HN     29 LEU  HA      4.70                
 28 ASP- HN     69 THR  HB      6.00                
 28 ASP- HN     69 THR  QG2     6.42                
 28 ASP- HN     70 PRO  QG      6.88                
 28 ASP- HA     29 LEU  HN      3.62                
 28 ASP- HA     69 THR  HA      4.16                
 28 ASP- HA     69 THR  HB      3.08                
 28 ASP- HA     69 THR  QG2     4.72                
 28 ASP- HA     69 THR  HG1     4.45                
 28 ASP- HA     70 PRO  HD2     5.35                
 28 ASP- HA     70 PRO  HD3     5.35                
 28 ASP- HA     70 PRO  QD      4.98                
 28 ASP- HA     71 ASN  HN      4.13                
 28 ASP- HA     71 ASN  HB2     5.68                
 28 ASP- HA     71 ASN  HB3     5.68                
 28 ASP- HA     71 ASN  QB      5.41                
 28 ASP- HA     71 ASN  HD21    6.00                
 28 ASP- HA     71 ASN  HD22    6.00                
 28 ASP- HA     71 ASN  QD2     5.76                
 28 ASP- HB2    29 LEU  HN      4.31                
 28 ASP- HB2    30 ASN  HD21    7.75                
 28 ASP- HB2    30 ASN  HD22    7.75                
 28 ASP- HB3    29 LEU  HN      4.31                
 28 ASP- HB3    30 ASN  HD21    7.75                
 28 ASP- HB3    30 ASN  HD22    7.75                
 28 ASP- QB     30 ASN  QD2     6.82                
 29 LEU  HN     29 LEU  HG      5.53                
 29 LEU  HN     29 LEU  QD1     6.27                
 29 LEU  HN     29 LEU  QD2     6.27                
 29 LEU  HN     29 LEU  QQD     5.75                
 29 LEU  HN     30 ASN  HN      4.13                
 29 LEU  HN     69 THR  HA      5.03                
 29 LEU  HN     69 THR  HB      5.86                
 29 LEU  HN     69 THR  QG2     7.03                
 29 LEU  HN     70 PRO  QB      6.88                
 29 LEU  HN     70 PRO  QG      6.88                
 29 LEU  HA     29 LEU  QD1     4.83                
 29 LEU  HA     29 LEU  QD2     4.83                
 29 LEU  HA     29 LEU  QQD     4.38                
 29 LEU  HA     30 ASN  HN      2.69                
 29 LEU  HA     30 ASN  QB      5.65                
 29 LEU  QB     30 ASN  HN      5.26                
 29 LEU  QB     31 LEU  HG      5.29                
 29 LEU  QB     70 PRO  HD2     6.88                
 29 LEU  QB     70 PRO  HD3     6.88                
 29 LEU  HG     30 ASN  HN      4.88                
 29 LEU  HG     31 LEU  QQD     6.91                
 29 LEU  HG     34 THR  HN      5.64                
 29 LEU  QD1    30 ASN  HN      6.42                
 29 LEU  QD2    30 ASN  HN      6.42                
 29 LEU  QQD    30 ASN  HN      5.69                
 29 LEU  QQD    30 ASN  QD2     8.64                
 29 LEU  QQD    31 LEU  HA      7.66                
 30 ASN  HN     30 ASN  HB2     3.41                
 30 ASN  HN     30 ASN  HB3     3.41                
 30 ASN  HN     30 ASN  QB      3.24                
 30 ASN  HN     30 ASN  QD2     6.87                
 30 ASN  HN     31 LEU  HN      4.74                
 30 ASN  HN     34 THR  QG2     6.24                
 30 ASN  HN     69 THR  QG2     7.03                
 30 ASN  HA     30 ASN  HD21    6.00                
 30 ASN  HA     30 ASN  HD22    6.00                
 30 ASN  HA     31 LEU  HN      2.69                
 30 ASN  HA     31 LEU  QB      5.47                
 30 ASN  HA     31 LEU  HG      4.85                
 30 ASN  HA     32 PHE  HN      4.20                
 30 ASN  HA     34 THR  HN      4.85                
 30 ASN  HA     68 ASP- QB      6.88                
 30 ASN  HA     69 THR  HA      3.52                
 30 ASN  HA     69 THR  QG2     4.33                
 30 ASN  HB2    31 LEU  HN      4.70                
 30 ASN  HB2    33 GLU- HN      4.67                
 30 ASN  HB2    33 GLU- HB2     6.00                
 30 ASN  HB2    33 GLU- HB3     6.00                
 30 ASN  HB2    34 THR  QG2     7.03                
 30 ASN  HB3    31 LEU  HN      4.70                
 30 ASN  HB3    33 GLU- HN      4.67                
 30 ASN  HB3    33 GLU- HB2     6.00                
 30 ASN  HB3    33 GLU- HB3     6.00                
 30 ASN  HB3    34 THR  QG2     7.03                
 30 ASN  QB     33 GLU- HN      4.30                
 30 ASN  QB     33 GLU- QB      5.12                
 30 ASN  QB     34 THR  QG2     6.57                
 30 ASN  QB     69 THR  QG2     6.68                
 30 ASN  HD21   33 GLU- HN      6.00                
 30 ASN  HD21   68 ASP- HB2     7.75                
 30 ASN  HD21   68 ASP- HB3     7.75                
 30 ASN  HD21   69 THR  QG2     7.03                
 30 ASN  HD22   33 GLU- HN      6.00                
 30 ASN  HD22   68 ASP- HB2     7.75                
 30 ASN  HD22   68 ASP- HB3     7.75                
 30 ASN  HD22   69 THR  QG2     7.03                
 30 ASN  QD2    68 ASP- HA      6.87                
 30 ASN  QD2    68 ASP- QB      6.82                
 30 ASN  QD2    69 THR  QG2     6.81                
 31 LEU  HN     31 LEU  HG      3.84                
 31 LEU  HN     31 LEU  QD1     5.52                
 31 LEU  HN     31 LEU  QD2     5.52                
 31 LEU  HN     31 LEU  QQD     5.10                
 31 LEU  HN     32 PHE  HN      3.88                
 31 LEU  HN     32 PHE  QD      8.12                
 31 LEU  HN     33 GLU- HN      4.92                
 31 LEU  HN     68 ASP- HA      4.09                
 31 LEU  HN     68 ASP- QB      6.66                
 31 LEU  HN     69 THR  HA      3.44                
 31 LEU  HN     69 THR  QG2     6.27                
 31 LEU  HN     70 PRO  HD2     6.00                
 31 LEU  HN     70 PRO  HD3     6.00                
 31 LEU  HA     31 LEU  HG      3.41                
 31 LEU  HA     31 LEU  QD1     6.42                
 31 LEU  HA     31 LEU  QD2     6.42                
 31 LEU  HA     33 GLU- HN      5.21                
 31 LEU  HA     36 LEU  HN      4.56                
 31 LEU  HA     36 LEU  HB2     4.63                
 31 LEU  HA     36 LEU  HB3     4.63                
 31 LEU  HA     36 LEU  QB      4.49                
 31 LEU  HA     36 LEU  QQD     6.04                
 31 LEU  HA     37 LEU  HN      4.99                
 31 LEU  QB     32 PHE  HN      5.40                
 31 LEU  QB     37 LEU  HN      6.88                
 31 LEU  QB     37 LEU  QB      7.21                
 31 LEU  QB     68 ASP- HA      5.62                
 31 LEU  QB     69 THR  HN      6.88                
 31 LEU  HG     32 PHE  HN      6.00                
 31 LEU  HG     69 THR  HA      3.55                
 31 LEU  HG     70 PRO  HD2     4.99                
 31 LEU  HG     70 PRO  HD3     4.99                
 31 LEU  HG     70 PRO  QD      4.51                
 31 LEU  QD1    36 LEU  HB2     8.76                
 31 LEU  QD1    36 LEU  HB3     8.76                
 31 LEU  QD1    68 ASP- HA      6.45                
 31 LEU  QD1    69 THR  HA      6.02                
 31 LEU  QD1    70 PRO  HD2     6.49                
 31 LEU  QD1    70 PRO  HD3     6.49                
 31 LEU  QD2    36 LEU  HB2     8.76                
 31 LEU  QD2    36 LEU  HB3     8.76                
 31 LEU  QD2    68 ASP- HA      6.45                
 31 LEU  QD2    69 THR  HA      6.02                
 31 LEU  QD2    70 PRO  HD2     6.49                
 31 LEU  QD2    70 PRO  HD3     6.49                
 31 LEU  QQD    32 PHE  HN      8.60                
 31 LEU  QQD    33 GLU- HN      8.60                
 31 LEU  QQD    36 LEU  HN      8.60                
 31 LEU  QQD    36 LEU  QB      7.12                
 31 LEU  QQD    68 ASP- HA      5.66                
 31 LEU  QQD    69 THR  HN      8.60                
 31 LEU  QQD    69 THR  HA      5.23                
 31 LEU  QQD    70 PRO  HA      7.12                
 31 LEU  QQD    70 PRO  QB      7.82                
 31 LEU  QQD    70 PRO  QG      8.03                
 31 LEU  QQD    70 PRO  QD      5.27                
 32 PHE  HN     32 PHE  HB2     3.59                
 32 PHE  HN     32 PHE  HB3     3.59                
 32 PHE  HN     32 PHE  QB      3.39                
 32 PHE  HN     33 GLU- HN      3.16                
 32 PHE  HN     33 GLU- HA      4.92                
 32 PHE  HN     33 GLU- QB      5.62                
 32 PHE  HN     33 GLU- QG      6.88                
 32 PHE  HN     34 THR  HN      4.67                
 32 PHE  HN     68 ASP- HA      4.42                
 32 PHE  HN     68 ASP- HB2     5.82                
 32 PHE  HN     68 ASP- HB3     5.82                
 32 PHE  HN     68 ASP- QB      5.61                
 32 PHE  HA     34 THR  HN      3.73                
 32 PHE  HA     35 GLY  HN      3.59                
 32 PHE  HA     36 LEU  HN      4.88                
 32 PHE  HA     37 LEU  HN      4.38                
 32 PHE  HA     37 LEU  QB      6.70                
 32 PHE  HB2    33 GLU- HN      3.70                
 32 PHE  HB2    64 ARG+ QD      6.88                
 32 PHE  HB3    33 GLU- HN      3.70                
 32 PHE  HB3    64 ARG+ QD      6.88                
 32 PHE  QB     33 GLU- HN      3.50                
 32 PHE  QB     68 ASP- HA      6.30                
 32 PHE  QD     33 GLU- HN      8.12                
 32 PHE  QD     64 ARG+ QD      9.00                
 32 PHE  QE     37 LEU  HN      8.12                
 32 PHE  QE     37 LEU  HB2     8.12                
 32 PHE  QE     37 LEU  HB3     8.12                
 32 PHE  QE     37 LEU  QD1     9.15                
 32 PHE  QE     37 LEU  QD2     9.15                
 32 PHE  QE     38 ASP- HA      8.05                
 32 PHE  QE     64 ARG+ HA      8.12                
 32 PHE  QE     67 TRP  HN      8.12                
 32 PHE  QE     68 ASP- HA      8.12                
 33 GLU- HN     33 GLU- HB2     3.30                
 33 GLU- HN     33 GLU- HB3     3.30                
 33 GLU- HN     33 GLU- HG2     4.78                
 33 GLU- HN     33 GLU- HG3     4.78                
 33 GLU- HN     33 GLU- QG      4.34                
 33 GLU- HN     34 THR  HN      3.52                
 33 GLU- HN     34 THR  HA      5.10                
 33 GLU- HN     34 THR  QG2     7.03                
 33 GLU- HN     35 GLY  HN      4.99                
 33 GLU- HA     33 GLU- HB2     3.01                
 33 GLU- HA     33 GLU- HB3     3.01                
 33 GLU- HA     33 GLU- HG2     4.20                
 33 GLU- HA     33 GLU- HG3     4.20                
 33 GLU- HA     33 GLU- QG      3.86                
 33 GLU- HA     35 GLY  HN      3.77                
 33 GLU- HB2    34 THR  HN      4.27                
 33 GLU- HB3    34 THR  HN      4.27                
 33 GLU- QB     34 THR  HN      4.11                
 34 THR  HN     35 GLY  HN      3.80                
 34 THR  HN     35 GLY  QA      6.01                
 34 THR  HA     35 GLY  HN      3.48                
 34 THR  HB     35 GLY  HN      3.98                
 34 THR  HB     36 LEU  HN      4.52                
 34 THR  HB     36 LEU  HG      4.34                
 34 THR  QG2    35 GLY  HN      4.87                
 35 GLY  HN     37 LEU  HN      3.80                
 36 LEU  HN     36 LEU  HB2     3.70                
 36 LEU  HN     36 LEU  HB3     3.70                
 36 LEU  HN     36 LEU  QB      3.39                
 36 LEU  HN     36 LEU  HG      4.09                
 36 LEU  HN     36 LEU  QD1     5.52                
 36 LEU  HN     36 LEU  QD2     5.52                
 36 LEU  HN     37 LEU  HN      3.48                
 36 LEU  HA     36 LEU  HB2     2.94                
 36 LEU  HA     36 LEU  HB3     2.94                
 36 LEU  HB2    37 LEU  HN      3.98                
 36 LEU  HB3    37 LEU  HN      3.98                
 36 LEU  HG     37 LEU  HN      6.00                
 37 LEU  HN     37 LEU  HB2     3.66                
 37 LEU  HN     37 LEU  HB3     3.66                
 37 LEU  HN     37 LEU  QB      3.43                
 37 LEU  HN     37 LEU  HG      5.71                
 37 LEU  HN     37 LEU  QQD     7.84                
 37 LEU  HA     37 LEU  QD1     5.70                
 37 LEU  HA     37 LEU  QD2     5.70                
 37 LEU  HA     38 ASP- HN      2.58                
 37 LEU  HA     41 GLY  QA      5.33                
 37 LEU  HB2    38 ASP- HN      4.42                
 37 LEU  HB2    38 ASP- HA      6.00                
 37 LEU  HB3    38 ASP- HN      4.42                
 37 LEU  HB3    38 ASP- HA      6.00                
 37 LEU  QB     38 ASP- HN      4.13                
 37 LEU  QB     39 SER  QB      7.75                
 37 LEU  QB     41 GLY  QA      6.49                
 37 LEU  HG     38 ASP- HN      6.00                
 37 LEU  HG     41 GLY  QA      6.88                
 37 LEU  QD1    38 ASP- HN      7.03                
 37 LEU  QD1    41 GLY  QA      6.97                
 37 LEU  QD1    42 THR  HA      5.70                
 37 LEU  QD1    43 VAL  HN      7.03                
 37 LEU  QD2    38 ASP- HN      7.03                
 37 LEU  QD2    41 GLY  QA      6.97                
 37 LEU  QD2    42 THR  HA      5.70                
 37 LEU  QD2    43 VAL  HN      7.03                
 37 LEU  QQD    38 ASP- HN      6.22                
 37 LEU  QQD    40 MET  HN      8.49                
 37 LEU  QQD    41 GLY  HN      8.60                
 37 LEU  QQD    41 GLY  QA      6.36                
 37 LEU  QQD    42 THR  HA      5.42                
 37 LEU  QQD    43 VAL  HN      6.34                
 37 LEU  QQD    45 LEU  QB      9.47                
 38 ASP- HN     38 ASP- HB2     4.06                
 38 ASP- HN     38 ASP- HB3     4.06                
 38 ASP- HN     38 ASP- QB      3.66                
 38 ASP- HN     41 GLY  HN      4.27                
 38 ASP- HN     41 GLY  QA      4.86                
 38 ASP- HN     42 THR  HN      4.49                
 38 ASP- HB2    39 SER  HN      4.06                
 38 ASP- HB2    40 MET  HN      4.88                
 38 ASP- HB2    41 GLY  HN      5.32                
 38 ASP- HB3    39 SER  HN      4.06                
 38 ASP- HB3    40 MET  HN      4.88                
 38 ASP- HB3    41 GLY  HN      5.32                
 38 ASP- QB     39 SER  HN      3.78                
 38 ASP- QB     40 MET  HN      4.71                
 38 ASP- QB     41 GLY  HN      5.19                
 39 SER  HN     40 MET  HN      4.02                
 39 SER  HA     41 GLY  HN      4.52                
 39 SER  QB     42 THR  QG2     7.90                
 40 MET  HN     40 MET  QB      3.62                
 40 MET  HN     40 MET  HG2     5.50                
 40 MET  HN     40 MET  HG3     5.50                
 40 MET  HN     40 MET  QG      5.16                
 40 MET  HN     41 GLY  HN      3.12                
 40 MET  HA     40 MET  QE      4.22                
 40 MET  HA     43 VAL  HN      3.48                
 40 MET  HA     43 VAL  HB      3.30                
 40 MET  HA     43 VAL  QQG     6.21                
 40 MET  HG2    41 GLY  HN      6.00                
 40 MET  HG3    41 GLY  HN      6.00                
 41 GLY  HN     42 THR  HN      3.84                
 41 GLY  HN     43 VAL  HN      5.14                
 41 GLY  QA     43 VAL  HN      5.80                
 41 GLY  QA     43 VAL  QQG     8.10                
 41 GLY  QA     44 GLN  HN      5.00                
 41 GLY  QA     44 GLN  HB2     4.61                
 41 GLY  QA     44 GLN  HB3     4.61                
 41 GLY  QA     44 GLN  QG      7.75                
 41 GLY  QA     45 LEU  HN      5.51                
 42 THR  HN     42 THR  HB      3.23                
 42 THR  HN     43 VAL  HN      3.55                
 42 THR  HN     43 VAL  QQG     8.59                
 42 THR  HN     44 GLN  HN      4.81                
 42 THR  HN     45 LEU  HG      6.00                
 42 THR  HA     42 THR  HB      2.83                
 42 THR  HA     45 LEU  HN      3.80                
 42 THR  HA     45 LEU  QB      4.72                
 42 THR  HA     45 LEU  HG      4.70                
 42 THR  HA     73 ILE  QD1     5.88                
 42 THR  HB     43 VAL  HN      3.48                
 42 THR  HB     45 LEU  QB      6.88                
 42 THR  QG2    43 VAL  HN      4.83                
 42 THR  QG2    43 VAL  HA      5.98                
 42 THR  QG2    45 LEU  HG      5.37                
 42 THR  QG2    46 LEU  HN      6.88                
 42 THR  QG2    46 LEU  QD1     8.06                
 42 THR  QG2    46 LEU  QD2     8.06                
 42 THR  QG2    46 LEU  QQD     7.25                
 42 THR  QG2    62 PHE  QD      9.15                
 42 THR  QG2    62 PHE  QE      8.61                
 42 THR  QG2    62 PHE  HZ      5.16                
 43 VAL  HN     43 VAL  HB      3.05                
 43 VAL  HN     44 GLN  HN      3.59                
 43 VAL  HA     46 LEU  HN      3.84                
 43 VAL  HA     46 LEU  HB2     4.20                
 43 VAL  HA     46 LEU  HB3     4.20                
 43 VAL  HA     46 LEU  QB      3.77                
 43 VAL  HA     46 LEU  HG      5.21                
 43 VAL  HA     46 LEU  QQD     6.94                
 43 VAL  HB     44 GLN  HN      3.19                
 43 VAL  QG1    44 GLN  HN      6.27                
 43 VAL  QG1    44 GLN  HB2     8.38                
 43 VAL  QG1    44 GLN  HB3     8.38                
 43 VAL  QG2    44 GLN  HN      6.27                
 43 VAL  QG2    44 GLN  HB2     8.38                
 43 VAL  QG2    44 GLN  HB3     8.38                
 43 VAL  QQG    44 GLN  HN      5.46                
 43 VAL  QQG    44 GLN  QB      6.62                
 43 VAL  QQG    44 GLN  QG      9.46                
 43 VAL  QQG    46 LEU  QQD    10.03                
 44 GLN  HN     44 GLN  HB2     3.26                
 44 GLN  HN     44 GLN  HB3     3.26                
 44 GLN  HN     44 GLN  QB      3.05                
 44 GLN  HN     44 GLN  QG      5.08                
 44 GLN  HN     45 LEU  HN      3.59                
 44 GLN  HN     45 LEU  HG      5.93                
 44 GLN  HN     46 LEU  HN      4.74                
 44 GLN  HA     44 GLN  HB2     3.01                
 44 GLN  HA     44 GLN  HB3     3.01                
 44 GLN  HA     44 GLN  QE2     6.87                
 44 GLN  HA     45 LEU  HN      3.62                
 44 GLN  HA     47 LEU  HN      3.55                
 44 GLN  HA     47 LEU  HB2     3.52                
 44 GLN  HA     47 LEU  HB3     3.52                
 44 GLN  HA     47 LEU  QB      3.21                
 44 GLN  HA     47 LEU  HG      4.74                
 44 GLN  HA     47 LEU  QQD     5.86                
 44 GLN  HB2    44 GLN  HE21    6.94                
 44 GLN  HB2    44 GLN  HE22    6.94                
 44 GLN  HB2    45 LEU  HN      3.70                
 44 GLN  HB3    44 GLN  HE21    6.94                
 44 GLN  HB3    44 GLN  HE22    6.94                
 44 GLN  HB3    45 LEU  HN      3.70                
 44 GLN  QG     45 LEU  HN      6.88                
 44 GLN  QG     45 LEU  QQD     8.97                
 44 GLN  QG     48 GLU- HN      6.73                
 44 GLN  QG     49 LEU  HN      6.88                
 45 LEU  HN     45 LEU  HG      3.91                
 45 LEU  HN     45 LEU  QQD     6.94                
 45 LEU  HN     46 LEU  HN      3.62                
 45 LEU  HN     46 LEU  QQD     8.60                
 45 LEU  HA     45 LEU  QD1     4.90                
 45 LEU  HA     45 LEU  QD2     4.90                
 45 LEU  HA     45 LEU  QQD     4.07                
 45 LEU  HA     48 GLU- HN      4.16                
 45 LEU  HA     48 GLU- HB2     4.20                
 45 LEU  HA     48 GLU- HB3     4.20                
 45 LEU  HA     48 GLU- QB      3.89                
 45 LEU  HA     48 GLU- QG      6.88                
 45 LEU  HA     49 LEU  HN      4.27                
 45 LEU  QB     46 LEU  HN      4.61                
 45 LEU  HG     46 LEU  HN      4.88                
 45 LEU  HG     46 LEU  HA      4.60                
 45 LEU  HG     48 GLU- HN      6.00                
 45 LEU  QD1    48 GLU- HB2     8.40                
 45 LEU  QD1    48 GLU- HB3     8.40                
 45 LEU  QD2    48 GLU- HB2     8.40                
 45 LEU  QD2    48 GLU- HB3     8.40                
 45 LEU  QQD    48 GLU- HN      7.52                
 45 LEU  QQD    48 GLU- QB      6.49                
 45 LEU  QQD    48 GLU- QG      8.65                
 46 LEU  HN     46 LEU  HB2     3.55                
 46 LEU  HN     46 LEU  HB3     3.55                
 46 LEU  HN     46 LEU  QB      3.24                
 46 LEU  HN     46 LEU  HG      3.41                
 46 LEU  HN     46 LEU  QD1     6.24                
 46 LEU  HN     46 LEU  QD2     6.24                
 46 LEU  HN     46 LEU  QQD     5.89                
 46 LEU  HA     46 LEU  HG      3.62                
 46 LEU  HA     46 LEU  QD1     5.34                
 46 LEU  HA     46 LEU  QD2     5.34                
 46 LEU  HA     48 GLU- HN      4.20                
 46 LEU  HA     49 LEU  HN      3.70                
 46 LEU  HA     49 LEU  HB2     3.91                
 46 LEU  HA     49 LEU  HB3     3.91                
 46 LEU  HA     49 LEU  QB      3.48                
 46 LEU  HA     49 LEU  QQD     6.37                
 46 LEU  HA     50 GLN  HN      4.27                
 46 LEU  HA     50 GLN  QB      4.86                
 46 LEU  QB     47 LEU  HN      4.46                
 46 LEU  QD1    57 ALA  QB      7.44                
 46 LEU  QD1    58 PRO  HG2    10.17                
 46 LEU  QD1    58 PRO  HG3    10.17                
 46 LEU  QD1    58 PRO  HD2     7.03                
 46 LEU  QD1    58 PRO  HD3     7.03                
 46 LEU  QD1    62 PHE  QD      8.75                
 46 LEU  QD1    62 PHE  QE      9.15                
 46 LEU  QD2    57 ALA  QB      7.44                
 46 LEU  QD2    58 PRO  HG2    10.17                
 46 LEU  QD2    58 PRO  HG3    10.17                
 46 LEU  QD2    58 PRO  HD2     7.03                
 46 LEU  QD2    58 PRO  HD3     7.03                
 46 LEU  QD2    62 PHE  QD      8.75                
 46 LEU  QD2    62 PHE  QE      9.15                
 46 LEU  QQD    49 LEU  HN      8.60                
 46 LEU  QQD    49 LEU  HG      6.76                
 46 LEU  QQD    57 ALA  HA      8.42                
 46 LEU  QQD    57 ALA  QB      6.80                
 46 LEU  QQD    58 PRO  QG      8.23                
 46 LEU  QQD    58 PRO  QD      6.36                
 46 LEU  QQD    59 VAL  HN      8.60                
 46 LEU  QQD    59 VAL  HA      6.98                
 46 LEU  QQD    59 VAL  HB      8.17                
 46 LEU  QQD    59 VAL  QQG    10.65                
 46 LEU  QQD    62 PHE  QB      9.47                
 46 LEU  QQD    62 PHE  QD      8.47                
 46 LEU  QQD    62 PHE  HZ      8.60                
 46 LEU  QQD    67 TRP  HE3     7.95                
 46 LEU  QQD    67 TRP  HH2     7.91                
 47 LEU  HN     47 LEU  HB2     3.19                
 47 LEU  HN     47 LEU  HB3     3.19                
 47 LEU  HN     47 LEU  QB      2.94                
 47 LEU  HN     47 LEU  HG      4.38                
 47 LEU  HN     47 LEU  QQD     6.98                
 47 LEU  HN     48 GLU- HN      3.59                
 47 LEU  HN     49 LEU  HN      4.96                
 47 LEU  HN     50 GLN  HN      4.99                
 47 LEU  HA     47 LEU  QD1     3.93                
 47 LEU  HA     47 LEU  QD2     3.93                
 47 LEU  HA     47 LEU  QQD     3.55                
 47 LEU  HA     49 LEU  HN      4.96                
 47 LEU  HA     50 GLN  HN      3.59                
 47 LEU  HA     50 GLN  QB      4.10                
 47 LEU  HA     50 GLN  QG      6.01                
 47 LEU  HB2    47 LEU  HG      2.90                
 47 LEU  HB2    48 GLU- HN      3.77                
 47 LEU  HB3    47 LEU  HG      2.90                
 47 LEU  HB3    48 GLU- HN      3.77                
 47 LEU  QB     48 GLU- HN      3.52                
 47 LEU  QB     48 GLU- QG      7.75                
 47 LEU  HG     48 GLU- HN      6.00                
 47 LEU  QD1    50 GLN  QB      7.90                
 47 LEU  QD1    50 GLN  HE21   10.17                
 47 LEU  QD1    50 GLN  HE22   10.17                
 47 LEU  QD2    50 GLN  QB      7.90                
 47 LEU  QD2    50 GLN  HE21   10.17                
 47 LEU  QD2    50 GLN  HE22   10.17                
 47 LEU  QQD    48 GLU- HN      8.17                
 47 LEU  QQD    50 GLN  HN      8.60                
 47 LEU  QQD    50 GLN  QB      7.49                
 47 LEU  QQD    50 GLN  QE2     8.55                
 48 GLU- HN     48 GLU- HB2     3.26                
 48 GLU- HN     48 GLU- HB3     3.26                
 48 GLU- HN     48 GLU- QG      5.72                
 48 GLU- HN     49 LEU  HN      3.62                
 48 GLU- HN     50 GLN  HN      4.42                
 48 GLU- HA     48 GLU- HB2     2.98                
 48 GLU- HA     48 GLU- HB3     2.98                
 48 GLU- HA     51 SER  QB      3.89                
 48 GLU- HA     52 GLN  HN      3.84                
 48 GLU- HB2    49 LEU  HN      4.16                
 48 GLU- HB3    49 LEU  HN      4.16                
 48 GLU- QB     49 LEU  HN      3.67                
 48 GLU- QG     51 SER  QB      7.75                
 48 GLU- QG     52 GLN  QE2     7.74                
 49 LEU  HN     49 LEU  HB2     3.73                
 49 LEU  HN     49 LEU  HB3     3.73                
 49 LEU  HN     49 LEU  QB      3.46                
 49 LEU  HN     49 LEU  QQD     6.87                
 49 LEU  HN     50 GLN  HN      3.52                
 49 LEU  HN     50 GLN  QB      4.43                
 49 LEU  HA     52 GLN  HN      4.02                
 49 LEU  HA     52 GLN  QG      6.70                
 49 LEU  HA     53 PHE  HN      3.77                
 49 LEU  HA     53 PHE  HB2     4.31                
 49 LEU  HA     53 PHE  HB3     4.31                
 49 LEU  HA     53 PHE  QB      3.85                
 49 LEU  HB2    50 GLN  HN      4.02                
 49 LEU  HB2    55 VAL  HN      6.00                
 49 LEU  HB3    50 GLN  HN      4.02                
 49 LEU  HB3    55 VAL  HN      6.00                
 49 LEU  QB     50 GLN  HN      3.66                
 49 LEU  QB     55 VAL  HB      5.04                
 49 LEU  HG     50 GLN  HN      5.10                
 49 LEU  QQD    52 GLN  HN      8.13                
 49 LEU  QQD    53 PHE  HA      8.13                
 50 GLN  HN     50 GLN  QG      6.59                
 50 GLN  HN     51 SER  QB      6.30                
 50 GLN  HN     55 VAL  HN      4.92                
 50 GLN  HN     55 VAL  HB      6.00                
 50 GLN  HA     50 GLN  QE2     6.87                
 50 GLN  HA     51 SER  HN      3.59                
 50 GLN  HA     53 PHE  HN      4.06                
 50 GLN  HA     54 GLY  HN      3.84                
 50 GLN  HA     54 GLY  HA1     3.62                
 50 GLN  HA     54 GLY  HA2     3.62                
 50 GLN  HA     55 VAL  HN      3.08                
 50 GLN  HA     55 VAL  HB      4.78                
 50 GLN  HA     55 VAL  QG1     5.98                
 50 GLN  HA     55 VAL  QG2     5.98                
 50 GLN  HA     55 VAL  QQG     5.70                
 50 GLN  QB     50 GLN  HE21    6.88                
 50 GLN  QB     50 GLN  HE22    6.88                
 50 GLN  QB     51 SER  HN      4.07                
 50 GLN  QB     51 SER  HA      5.29                
 50 GLN  QB     52 GLN  HN      6.34                
 50 GLN  QB     54 GLY  HN      6.26                
 50 GLN  QB     55 VAL  HN      6.88                
 50 GLN  QB     55 VAL  QQG     9.39                
 50 GLN  QB     56 ASP- HN      6.88                
 50 GLN  QB     56 ASP- HA      6.88                
 50 GLN  QB     57 ALA  HN      6.88                
 50 GLN  QB     57 ALA  QB      7.90                
 50 GLN  QG     51 SER  HN      5.83                
 50 GLN  QG     54 GLY  HA1     6.88                
 50 GLN  QG     54 GLY  HA2     6.88                
 50 GLN  QG     55 VAL  HN      6.88                
 50 GLN  QG     56 ASP- HA      6.88                
 50 GLN  QE2    56 ASP- HA      6.87                
 50 GLN  QE2    57 ALA  HN      6.87                
 51 SER  HN     52 GLN  HN      3.55                
 51 SER  QB     52 GLN  HG2     6.88                
 51 SER  QB     52 GLN  HG3     6.88                
 51 SER  QB     52 GLN  QE2     7.74                
 52 GLN  HN     52 GLN  HB2     3.59                
 52 GLN  HN     52 GLN  HB3     3.59                
 52 GLN  HN     52 GLN  QB      3.32                
 52 GLN  HN     52 GLN  HG2     4.56                
 52 GLN  HN     52 GLN  HG3     4.56                
 52 GLN  HN     52 GLN  QG      4.42                
 52 GLN  HN     53 PHE  HN      3.59                
 52 GLN  HN     53 PHE  QD      8.12                
 52 GLN  HN     54 GLY  HN      4.85                
 52 GLN  HA     52 GLN  HB2     3.05                
 52 GLN  HA     52 GLN  HB3     3.05                
 52 GLN  HA     52 GLN  HG2     3.91                
 52 GLN  HA     52 GLN  HG3     3.91                
 52 GLN  HA     52 GLN  QG      3.65                
 52 GLN  HB2    53 PHE  HN      4.02                
 52 GLN  HB2    53 PHE  QE      8.12                
 52 GLN  HB3    53 PHE  HN      4.02                
 52 GLN  HB3    53 PHE  QE      8.12                
 52 GLN  QB     53 PHE  HN      3.87                
 52 GLN  HG2    53 PHE  HN      6.00                
 52 GLN  HG3    53 PHE  HN      6.00                
 53 PHE  HN     53 PHE  HB2     3.62                
 53 PHE  HN     53 PHE  HB3     3.62                
 53 PHE  HN     53 PHE  QB      3.39                
 53 PHE  HN     53 PHE  QE      8.12                
 53 PHE  HN     54 GLY  HN      3.26                
 53 PHE  HN     55 VAL  HN      4.45                
 53 PHE  HN     77 VAL  QQG     7.80                
 53 PHE  HA     77 VAL  QQG     8.44                
 53 PHE  HA     81 GLN  HE21    6.00                
 53 PHE  HA     81 GLN  HE22    6.00                
 53 PHE  HA     81 GLN  QE2     5.40                
 53 PHE  HB2    54 GLY  HN      4.34                
 53 PHE  HB2    55 VAL  HN      4.27                
 53 PHE  HB2    77 VAL  QG1     8.20                
 53 PHE  HB2    77 VAL  QG2     8.20                
 53 PHE  HB2    81 GLN  HE21    6.33                
 53 PHE  HB2    81 GLN  HE22    6.33                
 53 PHE  HB3    54 GLY  HN      4.34                
 53 PHE  HB3    55 VAL  HN      4.27                
 53 PHE  HB3    77 VAL  QG1     8.20                
 53 PHE  HB3    77 VAL  QG2     8.20                
 53 PHE  HB3    81 GLN  HE21    6.33                
 53 PHE  HB3    81 GLN  HE22    6.33                
 53 PHE  QB     54 GLY  HN      4.18                
 53 PHE  QB     55 VAL  HN      4.04                
 53 PHE  QB     55 VAL  QQG     7.20                
 53 PHE  QB     77 VAL  QQG     5.99                
 53 PHE  QB     80 ALA  QB      7.90                
 53 PHE  QB     81 GLN  QE2     5.50                
 53 PHE  QE     81 GLN  HG2     8.12                
 53 PHE  QE     81 GLN  HG3     8.12                
 53 PHE  HZ     77 VAL  QQG     8.59                
 54 GLY  HN     55 VAL  HN      3.62                
 54 GLY  HN     55 VAL  HB      4.88                
 55 VAL  HN     55 VAL  HB      3.16                
 55 VAL  HN     56 ASP- HN      4.70                
 55 VAL  HN     80 ALA  QB      7.03                
 55 VAL  HA     56 ASP- HN      2.44                
 55 VAL  HA     56 ASP- QB      5.00                
 55 VAL  HA     80 ALA  QB      4.83                
 55 VAL  HB     56 ASP- HN      3.98                
 55 VAL  QG1    56 ASP- HN      6.13                
 55 VAL  QG1    57 ALA  HN      7.03                
 55 VAL  QG1    67 TRP  HZ3     6.02                
 55 VAL  QG1    67 TRP  HH2     5.59                
 55 VAL  QG2    56 ASP- HN      6.13                
 55 VAL  QG2    57 ALA  HN      7.03                
 55 VAL  QG2    67 TRP  HZ3     6.02                
 55 VAL  QG2    67 TRP  HH2     5.59                
 55 VAL  QQG    56 ASP- HN      5.38                
 55 VAL  QQG    57 ALA  HN      6.42                
 55 VAL  QQG    57 ALA  HA      7.69                
 55 VAL  QQG    58 PRO  QD      9.46                
 55 VAL  QQG    67 TRP  HH2     5.07                
 55 VAL  QQG    80 ALA  HN      7.98                
 56 ASP- HN     56 ASP- HB2     3.37                
 56 ASP- HN     56 ASP- HB3     3.37                
 56 ASP- HN     57 ALA  HN      4.70                
 56 ASP- HN     80 ALA  QB      7.03                
 56 ASP- HA     57 ALA  HN      2.94                
 56 ASP- HB2    57 ALA  HN      4.42                
 56 ASP- HB3    57 ALA  HN      4.42                
 56 ASP- QB     58 PRO  QD      7.75                
 57 ALA  HN     58 PRO  HD2     6.00                
 57 ALA  HN     58 PRO  HD3     6.00                
 57 ALA  HN     58 PRO  QD      5.67                
 57 ALA  HA     58 PRO  QB      5.15                
 57 ALA  HA     58 PRO  QG      5.71                
 57 ALA  HA     58 PRO  HD2     2.90                
 57 ALA  HA     58 PRO  HD3     2.90                
 57 ALA  HA     67 TRP  HZ2     6.00                
 57 ALA  HA     67 TRP  HH2     6.00                
 57 ALA  QB     67 TRP  HZ2     5.26                
 57 ALA  QB     67 TRP  HH2     5.80                
 58 PRO  HA     59 VAL  HN      2.62                
 58 PRO  HA     60 SER  HN      4.27                
 58 PRO  HB2    59 VAL  HN      4.16                
 58 PRO  HB2    60 SER  HN      4.78                
 58 PRO  HB3    59 VAL  HN      4.16                
 58 PRO  HB3    60 SER  HN      4.78                
 58 PRO  QB     60 SER  HN      4.43                
 58 PRO  HD2    67 TRP  HZ2     6.00                
 58 PRO  HD3    67 TRP  HZ2     6.00                
 58 PRO  QD     67 TRP  HZ2     5.85                
 59 VAL  HN     59 VAL  HB      3.37                
 59 VAL  HN     60 SER  HN      3.44                
 59 VAL  HA     60 SER  HN      3.55                
 59 VAL  HA     62 PHE  HN      3.80                
 59 VAL  HA     62 PHE  QB      4.54                
 59 VAL  HA     62 PHE  QD      8.12                
 59 VAL  HB     60 SER  HN      3.70                
 59 VAL  QQG    60 SER  HN      7.58                
 59 VAL  QQG    60 SER  HA      7.01                
 59 VAL  QQG    62 PHE  HN      8.12                
 59 VAL  QQG    62 PHE  QB      9.00                
 59 VAL  QQG    67 TRP  HE1     8.12                
 60 SER  HN     60 SER  HB2     3.62                
 60 SER  HN     60 SER  HB3     3.62                
 60 SER  HN     60 SER  QB      3.20                
 60 SER  HN     61 GLU- HN      3.62                
 60 SER  HA     60 SER  HB2     2.72                
 60 SER  HA     60 SER  HB3     2.72                
 60 SER  HA     60 SER  QB      2.50                
 60 SER  HB2    61 GLU- HN      4.49                
 60 SER  HB3    61 GLU- HN      4.49                
 60 SER  QB     61 GLU- HN      4.17                
 61 GLU- HN     61 GLU- HA      2.87                
 61 GLU- HN     61 GLU- HB2     3.59                
 61 GLU- HN     61 GLU- HB3     3.59                
 61 GLU- HN     61 GLU- QG      6.16                
 61 GLU- HA     62 PHE  HN      3.62                
 61 GLU- HA     64 ARG+ QG      6.59                
 61 GLU- HB2    62 PHE  HN      4.70                
 61 GLU- HB3    62 PHE  HN      4.70                
 61 GLU- QB     62 PHE  HN      4.44                
 61 GLU- QG     64 ARG+ QG      7.75                
 62 PHE  HN     63 ASP- HN      4.63                
 62 PHE  HN     67 TRP  HD1     6.00                
 62 PHE  HN     67 TRP  HE1     6.00                
 62 PHE  HA     63 ASP- HN      3.08                
 62 PHE  HA     67 TRP  HE1     5.03                
 62 PHE  QB     67 TRP  HE1     6.88                
 62 PHE  QB     67 TRP  HH2     6.73                
 62 PHE  QD     63 ASP- HN      8.12                
 62 PHE  QD     64 ARG+ HA      7.15                
 62 PHE  QD     67 TRP  HD1     7.73                
 62 PHE  QD     67 TRP  HE1     8.12                
 62 PHE  QE     64 ARG+ HA      7.15                
 62 PHE  QE     64 ARG+ QB      9.00                
 62 PHE  QE     67 TRP  HB2     8.12                
 62 PHE  QE     67 TRP  HB3     8.12                
 62 PHE  QE     67 TRP  HD1     8.12                
 62 PHE  QE     67 TRP  HE1     8.12                
 62 PHE  HZ     64 ARG+ HA      5.82                
 62 PHE  HZ     67 TRP  HB2     5.86                
 62 PHE  HZ     67 TRP  HB3     5.86                
 62 PHE  HZ     67 TRP  QB      5.68                
 63 ASP- HN     63 ASP- HB2     3.34                
 63 ASP- HN     63 ASP- HB3     3.34                
 63 ASP- HN     64 ARG+ HN      4.78                
 63 ASP- HN     66 GLU- QB      6.05                
 63 ASP- HN     66 GLU- QG      6.88                
 63 ASP- HN     67 TRP  HD1     5.64                
 63 ASP- HN     67 TRP  HE1     5.64                
 63 ASP- HA     64 ARG+ HN      2.65                
 63 ASP- HA     64 ARG+ QB      5.58                
 63 ASP- HA     64 ARG+ QG      6.88                
 63 ASP- HA     65 LYS+ HN      4.60                
 63 ASP- HB2    65 LYS+ HN      5.28                
 63 ASP- HB2    66 GLU- HG2     7.03                
 63 ASP- HB2    66 GLU- HG3     7.03                
 63 ASP- HB3    65 LYS+ HN      5.28                
 63 ASP- HB3    66 GLU- HG2     7.03                
 63 ASP- HB3    66 GLU- HG3     7.03                
 63 ASP- QB     65 LYS+ HN      4.97                
 63 ASP- QB     66 GLU- HN      5.69                
 63 ASP- QB     66 GLU- QG      5.84                
 64 ARG+ HN     64 ARG+ HG2     5.35                
 64 ARG+ HN     64 ARG+ HG3     5.35                
 64 ARG+ HN     64 ARG+ QG      5.10                
 64 ARG+ HN     64 ARG+ QD      6.88                
 64 ARG+ HN     65 LYS+ HN      3.84                
 64 ARG+ HA     64 ARG+ HG2     4.27                
 64 ARG+ HA     64 ARG+ HG3     4.27                
 64 ARG+ HA     66 GLU- HN      3.88                
 64 ARG+ HA     67 TRP  HN      3.73                
 64 ARG+ HA     67 TRP  HB2     4.34                
 64 ARG+ HA     67 TRP  HB3     4.34                
 64 ARG+ HA     67 TRP  QB      3.76                
 64 ARG+ HA     67 TRP  HD1     4.06                
 64 ARG+ HA     67 TRP  HE1     6.00                
 64 ARG+ QB     65 LYS+ HA      5.15                
 64 ARG+ QG     65 LYS+ HN      6.88                
 64 ARG+ QD     68 ASP- QB      7.46                
 64 ARG+ HE     68 ASP- HB2     5.82                
 64 ARG+ HE     68 ASP- HB3     5.82                
 64 ARG+ HE     68 ASP- QB      5.33                
 65 LYS+ HN     65 LYS+ HA      2.72                
 65 LYS+ HN     65 LYS+ QG      5.80                
 65 LYS+ HN     65 LYS+ QD      6.88                
 65 LYS+ HN     66 GLU- HN      3.55                
 65 LYS+ HN     66 GLU- QG      6.88                
 65 LYS+ HN     67 TRP  HN      4.81                
 65 LYS+ HN     68 ASP- HN      5.06                
 65 LYS+ HN     68 ASP- HB2     4.88                
 65 LYS+ HN     68 ASP- HB3     4.88                
 65 LYS+ HN     68 ASP- QB      4.59                
 65 LYS+ HA     65 LYS+ QD      6.88                
 65 LYS+ HA     66 GLU- HN      3.52                
 65 LYS+ HA     67 TRP  HN      4.16                
 65 LYS+ HA     68 ASP- HN      3.91                
 65 LYS+ HA     68 ASP- HB2     4.02                
 65 LYS+ HA     68 ASP- HB3     4.02                
 65 LYS+ HA     68 ASP- QB      3.67                
 65 LYS+ QB     65 LYS+ QE      7.75                
 65 LYS+ QB     66 GLU- HN      5.90                
 65 LYS+ QG     66 GLU- HN      6.88                
 65 LYS+ QG     66 GLU- HG2     6.88                
 65 LYS+ QG     66 GLU- HG3     6.88                
 65 LYS+ QE     68 ASP- QB      5.84                
 66 GLU- HN     66 GLU- HB2     3.80                
 66 GLU- HN     66 GLU- HB3     3.80                
 66 GLU- HN     66 GLU- QB      3.56                
 66 GLU- HN     66 GLU- HG2     4.49                
 66 GLU- HN     66 GLU- HG3     4.49                
 66 GLU- HN     66 GLU- QG      4.24                
 66 GLU- HN     67 TRP  HN      3.62                
 66 GLU- HA     66 GLU- HG2     4.09                
 66 GLU- HA     66 GLU- HG3     4.09                
 66 GLU- HA     66 GLU- QG      3.63                
 66 GLU- HA     72 LYS+ QD      5.11                
 66 GLU- HB2    67 TRP  HD1     5.14                
 66 GLU- HB3    67 TRP  HD1     5.14                
 66 GLU- QB     67 TRP  HD1     4.37                
 66 GLU- QB     67 TRP  HE1     6.88                
 66 GLU- QB     76 LYS+ QE      5.74                
 66 GLU- HG2    67 TRP  HD1     6.00                
 66 GLU- HG3    67 TRP  HD1     6.00                
 66 GLU- QG     67 TRP  HN      6.88                
 66 GLU- QG     67 TRP  HD1     5.74                
 66 GLU- QG     67 TRP  HE3     6.88                
 66 GLU- QG     73 ILE  HN      4.68                
 66 GLU- QG     73 ILE  HA      4.72                
 66 GLU- QG     73 ILE  QG1     5.05                
 67 TRP  HN     67 TRP  HB2     3.88                
 67 TRP  HN     67 TRP  HB3     3.88                
 67 TRP  HN     67 TRP  QB      3.61                
 67 TRP  HN     67 TRP  HD1     6.00                
 67 TRP  HN     68 ASP- HN      3.41                
 67 TRP  HN     68 ASP- QB      5.51                
 67 TRP  HA     67 TRP  HE3     4.56                
 67 TRP  HA     68 ASP- HN      3.52                
 67 TRP  HA     72 LYS+ HB2     5.78                
 67 TRP  HA     72 LYS+ HB3     5.78                
 67 TRP  HA     72 LYS+ QB      5.40                
 67 TRP  HA     73 ILE  HA      4.06                
 67 TRP  HA     73 ILE  QG1     6.23                
 67 TRP  HA     73 ILE  QD1     5.66                
 67 TRP  HB2    73 ILE  QD1     7.03                
 67 TRP  HB3    73 ILE  QD1     7.03                
 67 TRP  QB     68 ASP- HN      5.33                
 67 TRP  QB     73 ILE  QG1     7.75                
 67 TRP  QB     73 ILE  QD1     6.45                
 67 TRP  HD1    76 LYS+ QE      6.88                
 67 TRP  HE3    73 ILE  HA      4.31                
 67 TRP  HE3    73 ILE  QG2     5.19                
 67 TRP  HE3    73 ILE  QG1     5.51                
 67 TRP  HE3    73 ILE  QD1     5.77                
 67 TRP  HE1    76 LYS+ HE2     6.00                
 67 TRP  HE1    76 LYS+ HE3     6.00                
 67 TRP  HE1    76 LYS+ QE      5.42                
 67 TRP  HZ3    73 ILE  HA      5.64                
 67 TRP  HZ3    73 ILE  QG2     5.26                
 67 TRP  HZ3    76 LYS+ HA      6.00                
 67 TRP  HZ3    76 LYS+ HB2     6.00                
 67 TRP  HZ3    76 LYS+ HB3     6.00                
 67 TRP  HZ3    76 LYS+ QB      5.86                
 67 TRP  HZ3    76 LYS+ QD      6.88                
 67 TRP  HZ2    76 LYS+ HB2     6.00                
 67 TRP  HZ2    76 LYS+ HB3     6.00                
 67 TRP  HZ2    76 LYS+ QD      6.77                
 67 TRP  HZ2    76 LYS+ HE2     6.00                
 67 TRP  HZ2    76 LYS+ HE3     6.00                
 67 TRP  HZ2    76 LYS+ QE      5.58                
 67 TRP  HH2    73 ILE  QG2     7.03                
 67 TRP  HH2    76 LYS+ HB2     6.00                
 67 TRP  HH2    76 LYS+ HB3     6.00                
 67 TRP  HH2    76 LYS+ QB      5.76                
 68 ASP- HN     68 ASP- HB2     3.80                
 68 ASP- HN     68 ASP- HB3     3.80                
 68 ASP- HN     68 ASP- QB      3.57                
 68 ASP- HN     69 THR  HN      3.95                
 68 ASP- HN     72 LYS+ QD      4.79                
 68 ASP- HN     72 LYS+ HE2     6.00                
 68 ASP- HN     72 LYS+ HE3     6.00                
 68 ASP- HA     68 ASP- HB2     2.87                
 68 ASP- HA     68 ASP- HB3     2.87                
 69 THR  HN     69 THR  HG1     6.00                
 69 THR  HN     70 PRO  HD2     6.00                
 69 THR  HN     70 PRO  HD3     6.00                
 69 THR  HN     72 LYS+ HN      4.34                
 69 THR  HN     72 LYS+ HB2     3.62                
 69 THR  HN     72 LYS+ HB3     3.62                
 69 THR  HN     72 LYS+ QB      3.39                
 69 THR  HN     72 LYS+ HG2     6.00                
 69 THR  HN     72 LYS+ HG3     6.00                
 69 THR  HN     72 LYS+ HD2     5.32                
 69 THR  HN     72 LYS+ HD3     5.32                
 69 THR  HN     72 LYS+ QD      4.98                
 69 THR  HN     72 LYS+ QE      6.88                
 69 THR  HN     73 ILE  HN      4.56                
 69 THR  HN     73 ILE  QD1     6.74                
 69 THR  HA     69 THR  HB      2.76                
 69 THR  HA     70 PRO  QB      5.40                
 69 THR  HA     70 PRO  QG      5.72                
 69 THR  HA     70 PRO  HD2     3.26                
 69 THR  HA     70 PRO  HD3     3.26                
 69 THR  HA     70 PRO  QD      2.88                
 69 THR  HA     71 ASN  HN      4.45                
 69 THR  HB     70 PRO  QG      6.77                
 69 THR  HB     70 PRO  HD2     4.06                
 69 THR  HB     70 PRO  HD3     4.06                
 69 THR  HB     70 PRO  QD      3.69                
 69 THR  HB     71 ASN  HN      3.80                
 69 THR  HB     72 LYS+ HN      4.67                
 69 THR  QG2    70 PRO  HD2     6.02                
 69 THR  QG2    70 PRO  HD3     6.02                
 69 THR  QG2    70 PRO  QD      5.83                
 69 THR  QG2    71 ASN  HN      7.03                
 69 THR  QG2    71 ASN  HB2     7.03                
 69 THR  QG2    71 ASN  HB3     7.03                
 69 THR  QG2    72 LYS+ HN      6.63                
 69 THR  QG2    72 LYS+ QD      6.46                
 69 THR  QG2    72 LYS+ HE2     6.70                
 69 THR  QG2    72 LYS+ HE3     6.70                
 69 THR  QG2    72 LYS+ QE      6.03                
 69 THR  HG1    71 ASN  HN      5.96                
 69 THR  HG1    71 ASN  HB2     4.96                
 69 THR  HG1    71 ASN  HB3     4.96                
 69 THR  HG1    71 ASN  QB      4.58                
 69 THR  HG1    72 LYS+ HN      4.52                
 69 THR  HG1    72 LYS+ HG2     5.50                
 69 THR  HG1    72 LYS+ HG3     5.50                
 69 THR  HG1    72 LYS+ QG      5.18                
 69 THR  HG1    72 LYS+ QD      6.88                
 69 THR  HG1    72 LYS+ HE2     5.78                
 69 THR  HG1    72 LYS+ HE3     5.78                
 69 THR  HG1    72 LYS+ QE      5.50                
 70 PRO  HA     73 ILE  HN      3.84                
 70 PRO  HA     73 ILE  HB      3.23                
 70 PRO  HA     73 ILE  QG2     6.09                
 70 PRO  HA     73 ILE  QD1     4.54                
 70 PRO  HA     74 ILE  HN      4.49                
 70 PRO  HA     74 ILE  QD1     7.03                
 70 PRO  QB     71 ASN  HN      4.15                
 70 PRO  QB     73 ILE  HB      4.68                
 70 PRO  QB     74 ILE  HN      5.11                
 70 PRO  QB     74 ILE  QG1     6.31                
 70 PRO  HD2    71 ASN  HN      5.28                
 70 PRO  HD3    71 ASN  HN      5.28                
 70 PRO  QD     71 ASN  HN      5.10                
 70 PRO  QD     71 ASN  QB      7.75                
 70 PRO  QD     71 ASN  QD2     7.74                
 71 ASN  HN     71 ASN  HB2     3.26                
 71 ASN  HN     71 ASN  HB3     3.26                
 71 ASN  HN     71 ASN  QB      3.02                
 71 ASN  HN     71 ASN  HD21    6.00                
 71 ASN  HN     71 ASN  HD22    6.00                
 71 ASN  HN     72 LYS+ HN      4.02                
 71 ASN  HN     73 ILE  HN      5.21                
 71 ASN  HN     74 ILE  HN      5.57                
 71 ASN  HA     71 ASN  HD21    6.00                
 71 ASN  HA     71 ASN  HD22    6.00                
 71 ASN  HA     73 ILE  HN      4.09                
 71 ASN  HA     74 ILE  HN      3.70                
 71 ASN  HA     74 ILE  HB      3.08                
 71 ASN  HA     74 ILE  QG2     5.52                
 71 ASN  HA     74 ILE  QD1     4.18                
 71 ASN  HA     75 ALA  HN      4.74                
 71 ASN  HB2    72 LYS+ HN      3.95                
 71 ASN  HB2    75 ALA  QB      7.03                
 71 ASN  HB3    72 LYS+ HN      3.95                
 71 ASN  HB3    75 ALA  QB      7.03                
 71 ASN  QB     72 LYS+ HN      3.76                
 71 ASN  QB     74 ILE  HN      6.26                
 71 ASN  QB     75 ALA  QB      6.90                
 72 LYS+ HN     72 LYS+ HB2     3.66                
 72 LYS+ HN     72 LYS+ HB3     3.66                
 72 LYS+ HN     72 LYS+ QB      3.41                
 72 LYS+ HN     72 LYS+ HG2     5.06                
 72 LYS+ HN     72 LYS+ HG3     5.06                
 72 LYS+ HN     72 LYS+ QG      4.64                
 72 LYS+ HN     72 LYS+ QD      6.88                
 72 LYS+ HN     72 LYS+ HE2     6.00                
 72 LYS+ HN     72 LYS+ HE3     6.00                
 72 LYS+ HN     73 ILE  HN      3.55                
 72 LYS+ HN     74 ILE  HN      5.24                
 72 LYS+ HA     72 LYS+ HG2     3.66                
 72 LYS+ HA     72 LYS+ HG3     3.66                
 72 LYS+ HA     72 LYS+ QG      3.41                
 72 LYS+ HA     75 ALA  HN      3.98                
 72 LYS+ HA     75 ALA  QB      4.54                
 72 LYS+ HB2    73 ILE  HN      4.20                
 72 LYS+ HB3    73 ILE  HN      4.20                
 72 LYS+ QB     73 ILE  HN      3.59                
 72 LYS+ QB     75 ALA  HN      5.72                
 72 LYS+ QG     73 ILE  HN      6.88                
 73 ILE  HN     73 ILE  HB      2.76                
 73 ILE  HN     73 ILE  QG1     6.16                
 73 ILE  HN     73 ILE  QD1     5.55                
 73 ILE  HN     74 ILE  HN      3.73                
 73 ILE  HN     74 ILE  HB      4.09                
 73 ILE  HN     75 ALA  HN      4.78                
 73 ILE  HA     75 ALA  HN      4.88                
 73 ILE  HA     76 LYS+ HN      3.59                
 73 ILE  HA     76 LYS+ HB2     4.09                
 73 ILE  HA     76 LYS+ HB3     4.09                
 73 ILE  HA     76 LYS+ QB      3.75                
 73 ILE  HA     76 LYS+ QG      6.01                
 73 ILE  HB     74 ILE  HN      3.30                
 73 ILE  QG2    74 ILE  HN      6.13                
 73 ILE  QG2    74 ILE  HA      6.02                
 73 ILE  QD1    74 ILE  HN      6.81                
 74 ILE  HN     74 ILE  HB      2.98                
 74 ILE  HN     74 ILE  QG1     5.29                
 74 ILE  HN     74 ILE  QD1     5.08                
 74 ILE  HN     75 ALA  HN      3.66                
 74 ILE  HN     75 ALA  HA      5.32                
 74 ILE  HN     75 ALA  QB      7.03                
 74 ILE  HA     74 ILE  QG1     3.69                
 74 ILE  HA     77 VAL  HN      4.34                
 74 ILE  HA     77 VAL  HB      3.62                
 74 ILE  HA     77 VAL  QG1     6.74                
 74 ILE  HA     77 VAL  QG2     6.74                
 74 ILE  HA     77 VAL  QQG     5.83                
 74 ILE  HA     78 GLU- HN      4.81                
 74 ILE  HB     75 ALA  HN      3.34                
 74 ILE  QG2    75 ALA  HN      5.48                
 74 ILE  QG2    75 ALA  HA      5.23                
 74 ILE  QG2    75 ALA  QB      7.37                
 74 ILE  QG2    76 LYS+ HN      7.03                
 74 ILE  QG2    77 VAL  HN      7.03                
 74 ILE  QG2    78 GLU- QG      5.89                
 75 ALA  HN     76 LYS+ QD      6.70                
 75 ALA  HA     77 VAL  HN      4.31                
 75 ALA  HA     78 GLU- HN      3.41                
 75 ALA  HA     78 GLU- QB      4.75                
 75 ALA  HA     78 GLU- HG2     4.70                
 75 ALA  HA     78 GLU- HG3     4.70                
 75 ALA  HA     78 GLU- QG      4.01                
 75 ALA  HA     79 GLN  HN      4.02                
 75 ALA  QB     76 LYS+ HA      6.06                
 75 ALA  QB     77 VAL  HN      7.03                
 75 ALA  QB     78 GLU- HN      6.42                
 75 ALA  QB     79 GLN  HN      7.03                
 75 ALA  QB     79 GLN  HE21    7.03                
 75 ALA  QB     79 GLN  HE22    7.03                
 76 LYS+ HN     76 LYS+ HB2     3.48                
 76 LYS+ HN     76 LYS+ HB3     3.48                
 76 LYS+ HN     76 LYS+ QB      3.24                
 76 LYS+ HN     76 LYS+ QG      5.76                
 76 LYS+ HN     76 LYS+ HD2     5.39                
 76 LYS+ HN     76 LYS+ HD3     5.39                
 76 LYS+ HN     76 LYS+ QD      4.55                
 76 LYS+ HN     77 VAL  HN      3.55                
 76 LYS+ HN     78 GLU- HN      4.49                
 76 LYS+ HA     76 LYS+ QB      2.68                
 76 LYS+ HA     76 LYS+ HD2     4.38                
 76 LYS+ HA     76 LYS+ HD3     4.38                
 76 LYS+ HA     76 LYS+ QD      3.76                
 76 LYS+ HA     76 LYS+ HE2     5.06                
 76 LYS+ HA     76 LYS+ HE3     5.06                
 76 LYS+ HA     76 LYS+ QE      4.77                
 76 LYS+ HA     77 VAL  HN      3.59                
 76 LYS+ HA     78 GLU- HN      4.45                
 76 LYS+ HA     79 GLN  HN      3.23                
 76 LYS+ HA     79 GLN  QB      4.28                
 76 LYS+ HB2    76 LYS+ HD2     4.26                
 76 LYS+ HB2    76 LYS+ HD3     4.26                
 76 LYS+ HB3    76 LYS+ HD2     4.26                
 76 LYS+ HB3    76 LYS+ HD3     4.26                
 76 LYS+ QB     76 LYS+ QD      3.18                
 76 LYS+ QB     77 VAL  HN      4.79                
 76 LYS+ QB     78 GLU- HN      5.98                
 76 LYS+ QG     77 VAL  HN      6.88                
 76 LYS+ QD     77 VAL  HN      5.72                
 76 LYS+ QD     79 GLN  QE2     7.74                
 77 VAL  HN     77 VAL  HB      3.19                
 77 VAL  HN     77 VAL  QQG     4.20                
 77 VAL  HN     78 GLU- HN      3.44                
 77 VAL  HN     78 GLU- QG      6.88                
 77 VAL  HA     79 GLN  HN      4.81                
 77 VAL  HA     80 ALA  HN      4.06                
 77 VAL  HA     80 ALA  QB      5.08                
 77 VAL  HA     81 GLN  HE21    5.64                
 77 VAL  HA     81 GLN  HE22    5.64                
 77 VAL  HA     81 GLN  QE2     5.41                
 77 VAL  HB     78 GLU- HN      3.37                
 77 VAL  QG1    78 GLU- HN      5.98                
 77 VAL  QG1    81 GLN  HG2    10.15                
 77 VAL  QG1    81 GLN  HG3    10.15                
 77 VAL  QG1    81 GLN  HE21    9.75                
 77 VAL  QG1    81 GLN  HE22    9.75                
 77 VAL  QG2    78 GLU- HN      5.98                
 77 VAL  QG2    81 GLN  HG2    10.15                
 77 VAL  QG2    81 GLN  HG3    10.15                
 77 VAL  QG2    81 GLN  HE21    9.75                
 77 VAL  QG2    81 GLN  HE22    9.75                
 77 VAL  QQG    78 GLU- HA      7.40                
 77 VAL  QQG    78 GLU- QG      9.46                
 77 VAL  QQG    79 GLN  HN      8.59                
 77 VAL  QQG    80 ALA  HN      8.59                
 77 VAL  QQG    81 GLN  QG      8.28                
 77 VAL  QQG    81 GLN  QE2     7.84                
 78 GLU- HN     78 GLU- HG2     3.80                
 78 GLU- HN     78 GLU- HG3     3.80                
 78 GLU- HN     78 GLU- QG      3.52                
 78 GLU- HN     79 GLN  HN      3.55                
 78 GLU- HN     80 ALA  HN      4.85                
 78 GLU- HN     80 ALA  QB      6.63                
 78 GLU- HA     78 GLU- QG      3.63                
 78 GLU- HA     79 GLN  HN      3.59                
 78 GLU- HA     80 ALA  HN      4.45                
 78 GLU- HA     81 GLN  HN      3.84                
 78 GLU- HA     81 GLN  QB      4.68                
 78 GLU- HA     81 GLN  HG2     4.49                
 78 GLU- HA     81 GLN  HG3     4.49                
 78 GLU- HA     81 GLN  QG      3.94                
 78 GLU- HA     81 GLN  QE2     6.87                
 78 GLU- QG     79 GLN  HN      6.55                
 78 GLU- QG     81 GLN  HN      6.88                
 79 GLN  HN     79 GLN  QG      6.26                
 79 GLN  HN     80 ALA  HN      3.48                
 79 GLN  HN     80 ALA  HA      5.28                
 79 GLN  HN     80 ALA  QB      7.03                
 79 GLN  HN     81 GLN  HN      4.88                
 79 GLN  HA     80 ALA  HN      3.05                
 80 ALA  HN     81 GLN  QG      6.88                
 80 ALA  QB     81 GLN  QG      7.76                
 80 ALA  QB     81 GLN  HE21    7.03                
 80 ALA  QB     81 GLN  HE22    7.03                
 80 ALA  QB     81 GLN  QE2     6.60                
 81 GLN  HN     81 GLN  HB2     3.55                
 81 GLN  HN     81 GLN  HB3     3.55                
 81 GLN  HN     81 GLN  QB      3.33                
 81 GLN  HN     81 GLN  QG      4.90                
 81 GLN  HA     81 GLN  HE21    6.00                
 81 GLN  HA     81 GLN  HE22    6.00                

  Entry H atom name         Submitted Coord H atom name
    1    H    ALA   2           H        ALA   2  17.150  -0.044   8.258
    2    HA   ALA   2           HA       ALA   2  18.365   0.246   6.412
    3   1HB   ALA   2          1HB       ALA   2  17.473  -2.184   6.393
    4   2HB   ALA   2          2HB       ALA   2  16.403  -1.639   5.079
    5   3HB   ALA   2          3HB       ALA   2  18.169  -1.548   4.883
    6    H    ASP   3           H        ASP   3  17.000  -0.277   3.625
    7    HA   ASP   3           HA       ASP   3  16.924   2.185   2.702
    8   1HB   ASP   3          1HB       ASP   3  15.544   1.392   0.880
    9   2HB   ASP   3          2HB       ASP   3  14.753   0.207   1.900
   10    H    GLU   4           H        GLU   4  15.792   4.022   3.349
   11    HA   GLU   4           HA       GLU   4  13.216   3.584   4.617
   12   1HB   GLU   4          1HB       GLU   4  14.438   6.304   4.651
   13   2HB   GLU   4          2HB       GLU   4  15.366   5.062   5.468
   14   1HG   GLU   4          1HG       GLU   4  12.622   4.675   6.220
   15   2HG   GLU   4          2HG       GLU   4  12.945   6.392   6.356
   16    H    ALA   5           H        ALA   5  14.629   4.479   1.642
   17    HA   ALA   5           HA       ALA   5  12.778   6.503   0.885
   18   1HB   ALA   5          1HB       ALA   5  14.758   6.613  -0.315
   19   2HB   ALA   5          2HB       ALA   5  14.917   4.844  -0.424
   20   3HB   ALA   5          3HB       ALA   5  13.745   5.697  -1.456
   21    H    ILE   6           H        ILE   6  12.531   3.129   1.403
   22    HA   ILE   6           HA       ILE   6  10.505   2.775  -0.650
   23    HB   ILE   6           HB       ILE   6  12.234   1.056   0.982
   24   1HG1  ILE   6          1HG1      ILE   6  12.599   1.293  -1.389
   25   2HG1  ILE   6          2HG1      ILE   6  10.940   0.856  -1.749
   26   1HG2  ILE   6          1HG2      ILE   6  10.541  -0.877   0.644
   27   2HG2  ILE   6          2HG2      ILE   6  10.358   0.203   2.047
   28   3HG2  ILE   6          3HG2      ILE   6   9.318   0.416   0.618
   29   1HD1  ILE   6          1HD1      ILE   6  12.510  -1.103  -0.105
   30   2HD1  ILE   6          2HD1      ILE   6  11.294  -1.399  -1.370
   31   3HD1  ILE   6          3HD1      ILE   6  12.954  -0.943  -1.821
   32    H    LYS   7           H        LYS   7  10.856   2.577   2.957
   33    HA   LYS   7           HA       LYS   7   8.150   2.154   3.453
   34   1HB   LYS   7          1HB       LYS   7   9.714   3.673   5.462
   35   2HB   LYS   7          2HB       LYS   7  10.425   2.160   4.939
   36   1HG   LYS   7          1HG       LYS   7   8.861   0.921   6.042
   37   2HG   LYS   7          2HG       LYS   7   7.537   1.872   5.400
   38   1HD   LYS   7          1HD       LYS   7   7.299   2.915   7.396
   39   2HD   LYS   7          2HD       LYS   7   8.929   3.545   7.275
   40   1HE   LYS   7          1HE       LYS   7   9.741   1.249   8.147
   41   2HE   LYS   7          2HE       LYS   7   8.063   0.894   8.509
   42   1HZ   LYS   7          1HZ       LYS   7   9.037   1.826  10.416
   43   2HZ   LYS   7          2HZ       LYS   7   9.670   3.092   9.602
   44   3HZ   LYS   7          3HZ       LYS   7   8.054   2.982   9.812
   45    H    ASN   8           H        ASN   8  10.058   5.116   2.850
   46    HA   ASN   8           HA       ASN   8   7.987   6.839   3.660
   47   1HB   ASN   8          1HB       ASN   8  10.035   7.710   1.619
   48   2HB   ASN   8          2HB       ASN   8  10.642   7.186   3.177
   49   1HD2  ASN   8          1HD2      ASN   8  11.363   9.440   3.229
   50   2HD2  ASN   8          2HD2      ASN   8  10.306  10.660   3.856
   51    H    GLY   9           H        GLY   9   9.408   5.898   0.432
   52   1HA   GLY   9          1HA       GLY   9   8.499   5.741  -1.618
   53   2HA   GLY   9          2HA       GLY   9   7.664   7.233  -1.232
   54    H    VAL  10           H        VAL  10   7.368   3.895   0.172
   55    HA   VAL  10           HA       VAL  10   5.034   3.197  -1.137
   56    HB   VAL  10           HB       VAL  10   6.458   2.378   1.348
   57   1HG1  VAL  10          1HG1      VAL  10   3.609   1.599   0.678
   58   2HG1  VAL  10          2HG1      VAL  10   4.670   0.605   1.705
   59   3HG1  VAL  10          3HG1      VAL  10   4.244   2.260   2.204
   60   1HG2  VAL  10          1HG2      VAL  10   7.234   0.788  -0.009
   61   2HG2  VAL  10          2HG2      VAL  10   5.580   0.249  -0.388
   62   3HG2  VAL  10          3HG2      VAL  10   6.338   1.541  -1.351
   63    H    LEU  11           H        LEU  11   5.525   4.848   2.051
   64    HA   LEU  11           HA       LEU  11   2.768   5.067   2.583
   65   1HB   LEU  11          1HB       LEU  11   4.513   7.094   3.773
   66   2HB   LEU  11          2HB       LEU  11   5.128   5.463   3.948
   67    HG   LEU  11           HG       LEU  11   2.795   4.857   4.853
   68   1HD1  LEU  11          1HD1      LEU  11   4.770   6.595   6.338
   69   2HD1  LEU  11          2HD1      LEU  11   3.388   5.803   7.132
   70   3HD1  LEU  11          3HD1      LEU  11   4.636   4.820   6.329
   71   1HD2  LEU  11          1HD2      LEU  11   2.618   7.835   5.351
   72   2HD2  LEU  11          2HD2      LEU  11   1.758   7.005   4.032
   73   3HD2  LEU  11          3HD2      LEU  11   1.414   6.579   5.726
   74    H    ASP  12           H        ASP  12   5.203   7.262   1.068
   75    HA   ASP  12           HA       ASP  12   3.614   9.462   0.846
   76   1HB   ASP  12          1HB       ASP  12   5.378   8.725  -1.481
   77   2HB   ASP  12          2HB       ASP  12   6.142   8.836   0.093
   78    H    ILE  13           H        ILE  13   3.853   6.484  -1.161
   79    HA   ILE  13           HA       ILE  13   2.158   7.480  -3.228
   80    HB   ILE  13           HB       ILE  13   3.692   5.059  -2.624
   81   1HG1  ILE  13          1HG1      ILE  13   3.808   7.071  -4.462
   82   2HG1  ILE  13          2HG1      ILE  13   3.012   5.824  -5.401
   83   1HG2  ILE  13          1HG2      ILE  13   2.362   3.664  -4.238
   84   2HG2  ILE  13          2HG2      ILE  13   1.596   3.929  -2.653
   85   3HG2  ILE  13          3HG2      ILE  13   1.044   4.849  -4.073
   86   1HD1  ILE  13          1HD1      ILE  13   5.291   5.354  -5.763
   87   2HD1  ILE  13          2HD1      ILE  13   5.739   5.751  -4.086
   88   3HD1  ILE  13          3HD1      ILE  13   4.880   4.233  -4.442
   89    H    LEU  14           H        LEU  14   1.721   6.113  -0.047
   90    HA   LEU  14           HA       LEU  14  -0.871   5.038  -0.557
   91   1HB   LEU  14          1HB       LEU  14  -0.729   5.390   2.140
   92   2HB   LEU  14          2HB       LEU  14   0.972   5.343   1.722
   93    HG   LEU  14           HG       LEU  14  -1.091   3.196   1.578
   94   1HD1  LEU  14          1HD1      LEU  14   1.094   3.566  -0.452
   95   2HD1  LEU  14          2HD1      LEU  14   0.587   1.934   0.046
   96   3HD1  LEU  14          3HD1      LEU  14  -0.595   3.051  -0.678
   97   1HD2  LEU  14          1HD2      LEU  14   1.788   2.633   2.010
   98   2HD2  LEU  14          2HD2      LEU  14   0.984   3.645   3.234
   99   3HD2  LEU  14          3HD2      LEU  14   0.349   2.024   2.864
  100    H    ALA  15           H        ALA  15   0.355   7.971   1.208
  101    HA   ALA  15           HA       ALA  15  -2.138   9.066   1.704
  102   1HB   ALA  15          1HB       ALA  15   0.457  10.556   1.153
  103   2HB   ALA  15          2HB       ALA  15  -0.911  11.102   2.153
  104   3HB   ALA  15          3HB       ALA  15   0.089   9.730   2.686
  105    H    ASP  16           H        ASP  16  -0.034   9.160  -1.197
  106    HA   ASP  16           HA       ASP  16  -1.483  11.169  -2.482
  107   1HB   ASP  16          1HB       ASP  16  -0.202   9.083  -4.182
  108   2HB   ASP  16          2HB       ASP  16   0.855   9.756  -2.957
  109    H    LEU  17           H        LEU  17  -1.697   7.591  -2.261
  110    HA   LEU  17           HA       LEU  17  -3.419   7.139  -4.397
  111   1HB   LEU  17          1HB       LEU  17  -3.889   5.386  -2.139
  112   2HB   LEU  17          2HB       LEU  17  -2.175   5.668  -2.370
  113    HG   LEU  17           HG       LEU  17  -3.159   5.159  -4.948
  114   1HD1  LEU  17          1HD1      LEU  17  -2.029   2.807  -3.678
  115   2HD1  LEU  17          2HD1      LEU  17  -1.362   3.851  -4.957
  116   3HD1  LEU  17          3HD1      LEU  17  -1.130   4.281  -3.246
  117   1HD2  LEU  17          1HD2      LEU  17  -4.343   3.184  -2.976
  118   2HD2  LEU  17          2HD2      LEU  17  -5.253   4.341  -3.977
  119   3HD2  LEU  17          3HD2      LEU  17  -4.333   3.028  -4.750
  120    H    THR  18           H        THR  18  -4.179   7.600  -0.871
  121    HA   THR  18           HA       THR  18  -6.977   7.728  -1.371
  122    HB   THR  18           HB       THR  18  -7.077   8.107   1.021
  123    HG1  THR  18           1HG      THR  18  -4.766   8.650   1.931
  124   1HG2  THR  18          1HG2      THR  18  -4.390   6.774   1.038
  125   2HG2  THR  18          2HG2      THR  18  -5.907   6.265   1.817
  126   3HG2  THR  18          3HG2      THR  18  -5.652   5.962   0.082
  127    H    GLY  19           H        GLY  19  -4.362  10.161  -0.988
  128   1HA   GLY  19          1HA       GLY  19  -6.165  12.129  -2.196
  129   2HA   GLY  19          2HA       GLY  19  -4.420  12.222  -2.071
  130    H    SER  20           H        SER  20  -5.110  11.099   0.911
  131    HA   SER  20           HA       SER  20  -5.369  13.807   1.942
  132   1HB   SER  20          1HB       SER  20  -6.546  12.164   3.894
  133   2HB   SER  20          2HB       SER  20  -7.162  11.516   2.387
  134    HG   SER  20           HG       SER  20  -7.802  13.881   3.670
  135    H    ASP  21           H        ASP  21  -4.494  13.995   4.236
  136    HA   ASP  21           HA       ASP  21  -2.144  12.346   4.403
  137   1HB   ASP  21          1HB       ASP  21  -1.211  14.189   5.349
  138   2HB   ASP  21          2HB       ASP  21  -2.449  14.251   6.587
  139    H    ASP  22           H        ASP  22  -4.676  11.030   4.951
  140    HA   ASP  22           HA       ASP  22  -4.940  10.991   7.806
  141   1HB   ASP  22          1HB       ASP  22  -6.358   8.866   6.369
  142   2HB   ASP  22          2HB       ASP  22  -6.608  10.410   5.578
  143    H    VAL  23           H        VAL  23  -3.922   8.875   5.049
  144    HA   VAL  23           HA       VAL  23  -3.253   6.695   6.794
  145    HB   VAL  23           HB       VAL  23  -4.149   6.333   4.560
  146   1HG1  VAL  23          1HG1      VAL  23  -2.467   8.409   3.785
  147   2HG1  VAL  23          2HG1      VAL  23  -1.728   6.966   3.051
  148   3HG1  VAL  23          3HG1      VAL  23  -3.428   7.367   2.708
  149   1HG2  VAL  23          1HG2      VAL  23  -1.589   5.188   3.921
  150   2HG2  VAL  23          2HG2      VAL  23  -1.855   5.093   5.679
  151   3HG2  VAL  23          3HG2      VAL  23  -3.049   4.394   4.559
  152    H    LYS  24           H        LYS  24  -1.756   9.619   5.610
  153    HA   LYS  24           HA       LYS  24   0.904   8.828   5.554
  154   1HB   LYS  24          1HB       LYS  24  -0.393  11.494   6.174
  155   2HB   LYS  24          2HB       LYS  24   0.180  10.926   4.618
  156   1HG   LYS  24          1HG       LYS  24   2.210  11.818   5.082
  157   2HG   LYS  24          2HG       LYS  24   2.401  10.643   6.368
  158   1HD   LYS  24          1HD       LYS  24   1.269  12.173   7.968
  159   2HD   LYS  24          2HD       LYS  24   0.993  13.337   6.687
  160   1HE   LYS  24          1HE       LYS  24   3.421  13.656   6.386
  161   2HE   LYS  24          2HE       LYS  24   3.768  12.382   7.538
  162   1HZ   LYS  24          1HZ       LYS  24   2.992  13.670   9.272
  163   2HZ   LYS  24          2HZ       LYS  24   3.789  14.758   8.351
  164   3HZ   LYS  24          3HZ       LYS  24   2.158  14.695   8.313
  165    H    LYS  25           H        LYS  25  -1.345   9.183   8.207
  166    HA   LYS  25           HA       LYS  25   0.911   9.021  10.080
  167   1HB   LYS  25          1HB       LYS  25  -1.783  10.329  10.249
  168   2HB   LYS  25          2HB       LYS  25  -0.206  10.964  10.672
  169   1HG   LYS  25          1HG       LYS  25  -1.979   9.088  12.242
  170   2HG   LYS  25          2HG       LYS  25  -1.154  10.535  12.786
  171   1HD   LYS  25          1HD       LYS  25   0.984   8.939  12.023
  172   2HD   LYS  25          2HD       LYS  25  -0.151   7.740  12.611
  173   1HE   LYS  25          1HE       LYS  25  -0.349   8.908  14.771
  174   2HE   LYS  25          2HE       LYS  25   0.632  10.238  14.188
  175   1HZ   LYS  25          1HZ       LYS  25   2.116   8.926  15.305
  176   2HZ   LYS  25          2HZ       LYS  25   1.462   7.514  14.809
  177   3HZ   LYS  25          3HZ       LYS  25   2.349   8.412  13.772
  178    H    ASN  26           H        ASN  26  -2.600   8.120  10.203
  179    HA   ASN  26           HA       ASN  26  -2.346   6.021  11.832
  180   1HB   ASN  26          1HB       ASN  26  -4.285   5.112  10.027
  181   2HB   ASN  26          2HB       ASN  26  -4.256   6.834   9.700
  182   1HD2  ASN  26          1HD2      ASN  26  -6.423   5.451  10.802
  183   2HD2  ASN  26          2HD2      ASN  26  -6.719   6.018  12.412
  184    H    LEU  27           H        LEU  27  -1.495   3.917  11.673
  185    HA   LEU  27           HA       LEU  27  -0.534   3.126   9.017
  186   1HB   LEU  27          1HB       LEU  27   1.045   1.694  10.252
  187   2HB   LEU  27          2HB       LEU  27   0.407   2.300  11.767
  188    HG   LEU  27           HG       LEU  27   1.069   4.651  10.657
  189   1HD1  LEU  27          1HD1      LEU  27   1.949   4.330  12.734
  190   2HD1  LEU  27          2HD1      LEU  27   2.575   2.709  12.348
  191   3HD1  LEU  27          3HD1      LEU  27   3.432   4.156  11.765
  192   1HD2  LEU  27          1HD2      LEU  27   3.514   3.891   9.700
  193   2HD2  LEU  27          2HD2      LEU  27   2.454   2.624   9.038
  194   3HD2  LEU  27          3HD2      LEU  27   2.111   4.337   8.699
  195    H    ASP  28           H        ASP  28  -3.334   2.885  10.176
  196    HA   ASP  28           HA       ASP  28  -3.608   0.128   9.471
  197   1HB   ASP  28          1HB       ASP  28  -5.263   0.584  11.820
  198   2HB   ASP  28          2HB       ASP  28  -3.593   0.924  12.226
  199    H    LEU  29           H        LEU  29  -4.320   2.743   8.316
  200    HA   LEU  29           HA       LEU  29  -7.139   3.085   8.870
  201   1HB   LEU  29          1HB       LEU  29  -5.282   4.519   6.966
  202   2HB   LEU  29          2HB       LEU  29  -5.639   5.012   8.610
  203    HG   LEU  29           HG       LEU  29  -7.876   4.702   6.624
  204   1HD1  LEU  29          1HD1      LEU  29  -7.566   6.676   8.891
  205   2HD1  LEU  29          2HD1      LEU  29  -9.046   6.215   8.016
  206   3HD1  LEU  29          3HD1      LEU  29  -8.255   5.049   9.104
  207   1HD2  LEU  29          1HD2      LEU  29  -7.535   7.251   6.265
  208   2HD2  LEU  29          2HD2      LEU  29  -5.850   6.920   6.736
  209   3HD2  LEU  29          3HD2      LEU  29  -6.559   6.096   5.326
  210    H    ASN  30           H        ASN  30  -8.331   1.374   8.104
  211    HA   ASN  30           HA       ASN  30  -7.795  -0.252   6.077
  212   1HB   ASN  30          1HB       ASN  30 -10.187  -0.721   5.950
  213   2HB   ASN  30          2HB       ASN  30 -10.599   0.896   6.486
  214   1HD2  ASN  30          1HD2      ASN  30  -7.874  -0.712   7.891
  215   2HD2  ASN  30          2HD2      ASN  30  -8.560  -1.090   9.436
  216    H    LEU  31           H        LEU  31  -7.194   0.247   3.961
  217    HA   LEU  31           HA       LEU  31  -7.882   2.739   2.791
  218   1HB   LEU  31          1HB       LEU  31  -6.672   1.903   0.861
  219   2HB   LEU  31          2HB       LEU  31  -6.666   0.281   1.525
  220    HG   LEU  31           HG       LEU  31  -5.451   1.573   3.557
  221   1HD1  LEU  31          1HD1      LEU  31  -4.767  -0.348   1.793
  222   2HD1  LEU  31          2HD1      LEU  31  -3.625   0.930   1.314
  223   3HD1  LEU  31          3HD1      LEU  31  -3.647   0.340   2.993
  224   1HD2  LEU  31          1HD2      LEU  31  -5.588   3.757   2.407
  225   2HD2  LEU  31          2HD2      LEU  31  -3.914   3.252   2.741
  226   3HD2  LEU  31          3HD2      LEU  31  -4.576   3.107   1.095
  227    H    PHE  32           H        PHE  32  -9.671  -0.064   3.348
  228    HA   PHE  32           HA       PHE  32 -11.284   0.404   0.942
  229   1HB   PHE  32          1HB       PHE  32 -12.159  -1.967   2.069
  230   2HB   PHE  32          2HB       PHE  32 -10.518  -1.947   2.683
  231    HD1  PHE  32           1HD      PHE  32  -8.620  -2.164   1.170
  232    HD2  PHE  32           2HD      PHE  32 -12.598  -2.240  -0.305
  233    HE1  PHE  32           1HE      PHE  32  -7.794  -3.097  -1.009
  234    HE2  PHE  32           2HE      PHE  32 -11.772  -3.173  -2.484
  235    HZ   PHE  32           HZ       PHE  32  -9.380  -3.590  -2.810
  236    H    GLU  33           H        GLU  33 -11.469  -0.394   4.481
  237    HA   GLU  33           HA       GLU  33 -14.219   0.060   4.610
  238   1HB   GLU  33          1HB       GLU  33 -12.633   0.509   7.089
  239   2HB   GLU  33          2HB       GLU  33 -12.315  -1.016   6.285
  240   1HG   GLU  33          1HG       GLU  33 -14.584  -1.734   6.471
  241   2HG   GLU  33          2HG       GLU  33 -15.174  -0.108   6.755
  242    H    THR  34           H        THR  34 -11.570   2.203   4.226
  243    HA   THR  34           HA       THR  34 -12.962   4.419   5.536
  244    HB   THR  34           HB       THR  34 -10.197   4.254   4.228
  245    HG1  THR  34           1HG      THR  34 -11.035   2.913   6.271
  246   1HG2  THR  34          1HG2      THR  34 -11.236   6.583   4.686
  247   2HG2  THR  34          2HG2      THR  34 -11.223   6.132   6.408
  248   3HG2  THR  34          3HG2      THR  34  -9.693   6.246   5.506
  249    H    GLY  35           H        GLY  35 -12.689   2.881   2.474
  250   1HA   GLY  35          1HA       GLY  35 -14.318   4.896   1.257
  251   2HA   GLY  35          2HA       GLY  35 -13.705   3.425   0.526
  252    H    LEU  36           H        LEU  36 -10.961   4.684   1.840
  253    HA   LEU  36           HA       LEU  36 -10.429   6.870   0.134
  254   1HB   LEU  36          1HB       LEU  36  -8.016   6.275   0.862
  255   2HB   LEU  36          2HB       LEU  36  -8.780   5.100   1.913
  256    HG   LEU  36           HG       LEU  36  -9.984   6.837   3.093
  257   1HD1  LEU  36          1HD1      LEU  36  -7.304   8.097   3.021
  258   2HD1  LEU  36          2HD1      LEU  36  -8.245   7.457   4.390
  259   3HD1  LEU  36          3HD1      LEU  36  -7.344   6.345   3.332
  260   1HD2  LEU  36          1HD2      LEU  36 -10.597   8.640   1.930
  261   2HD2  LEU  36          2HD2      LEU  36  -8.973   9.276   2.288
  262   3HD2  LEU  36          3HD2      LEU  36  -9.281   8.437   0.749
  263    H    LEU  37           H        LEU  37 -10.200   3.345  -0.163
  264    HA   LEU  37           HA       LEU  37  -8.977   3.748  -2.804
  265   1HB   LEU  37          1HB       LEU  37  -8.872   1.053  -1.661
  266   2HB   LEU  37          2HB       LEU  37  -8.027   2.250  -0.700
  267    HG   LEU  37           HG       LEU  37  -7.061   2.878  -3.152
  268   1HD1  LEU  37          1HD1      LEU  37  -5.147   1.222  -2.496
  269   2HD1  LEU  37          2HD1      LEU  37  -5.514   2.625  -1.464
  270   3HD1  LEU  37          3HD1      LEU  37  -6.104   1.008  -1.010
  271   1HD2  LEU  37          1HD2      LEU  37  -7.949   0.017  -3.278
  272   2HD2  LEU  37          2HD2      LEU  37  -7.984   1.282  -4.530
  273   3HD2  LEU  37          3HD2      LEU  37  -6.442   0.511  -4.087
  274    H    ASP  38           H        ASP  38  -9.719   2.172  -4.495
  275    HA   ASP  38           HA       ASP  38 -12.458   1.348  -3.947
  276   1HB   ASP  38          1HB       ASP  38 -12.302   1.879  -6.715
  277   2HB   ASP  38          2HB       ASP  38 -11.410   3.199  -5.986
  278    H    SER  39           H        SER  39  -9.824   1.211  -6.477
  279    HA   SER  39           HA       SER  39  -9.336  -1.477  -6.174
  280   1HB   SER  39          1HB       SER  39 -11.573  -0.813  -8.048
  281   2HB   SER  39          2HB       SER  39 -11.321  -2.251  -7.081
  282    HG   SER  39           HG       SER  39 -10.610  -3.166  -8.873
  283    H    MET  40           H        MET  40  -9.813   1.035  -8.762
  284    HA   MET  40           HA       MET  40  -7.665   0.262 -10.302
  285   1HB   MET  40          1HB       MET  40  -8.124   3.180 -10.266
  286   2HB   MET  40          2HB       MET  40  -9.643   2.307 -10.260
  287   1HG   MET  40          1HG       MET  40  -7.935   0.989 -12.160
  288   2HG   MET  40          2HG       MET  40  -7.801   2.710 -12.465
  289   1HE   MET  40          1HE       MET  40 -10.564   0.420 -14.555
  290   2HE   MET  40          2HE       MET  40  -8.908   0.181 -13.947
  291   3HE   MET  40          3HE       MET  40 -10.296  -0.423 -13.011
  292    H    GLY  41           H        GLY  41  -7.843   2.217  -7.338
  293   1HA   GLY  41          1HA       GLY  41  -6.256   3.116  -6.027
  294   2HA   GLY  41          2HA       GLY  41  -5.413   3.576  -7.493
  295    H    THR  42           H        THR  42  -6.210   0.349  -6.011
  296    HA   THR  42           HA       THR  42  -3.611  -0.200  -5.147
  297    HB   THR  42           HB       THR  42  -6.209  -1.400  -5.157
  298    HG1  THR  42           1HG      THR  42  -5.043  -1.569  -3.264
  299   1HG2  THR  42          1HG2      THR  42  -5.551  -3.795  -5.501
  300   2HG2  THR  42          2HG2      THR  42  -5.474  -2.881  -7.026
  301   3HG2  THR  42          3HG2      THR  42  -3.978  -3.259  -6.139
  302    H    VAL  43           H        VAL  43  -5.205  -0.668  -8.315
  303    HA   VAL  43           HA       VAL  43  -3.252  -2.340  -9.403
  304    HB   VAL  43           HB       VAL  43  -5.110  -0.329 -10.688
  305   1HG1  VAL  43          1HG1      VAL  43  -4.307  -2.675 -12.265
  306   2HG1  VAL  43          2HG1      VAL  43  -4.420  -0.961 -12.731
  307   3HG1  VAL  43          3HG1      VAL  43  -2.964  -1.564 -11.902
  308   1HG2  VAL  43          1HG2      VAL  43  -6.694  -1.747  -9.973
  309   2HG2  VAL  43          2HG2      VAL  43  -6.068  -2.879 -11.196
  310   3HG2  VAL  43          3HG2      VAL  43  -5.500  -2.984  -9.512
  311    H    GLN  44           H        GLN  44  -3.633   1.266  -9.452
  312    HA   GLN  44           HA       GLN  44  -1.362   1.719 -10.962
  313   1HB   GLN  44          1HB       GLN  44  -2.670   3.517  -8.873
  314   2HB   GLN  44          2HB       GLN  44  -3.165   3.389 -10.549
  315   1HG   GLN  44          1HG       GLN  44  -0.503   3.916 -10.903
  316   2HG   GLN  44          2HG       GLN  44  -0.759   4.734  -9.374
  317   1HE2  GLN  44          1HE2      GLN  44  -0.183   6.570 -10.806
  318   2HE2  GLN  44          2HE2      GLN  44  -1.453   7.412 -11.629
  319    H    LEU  45           H        LEU  45  -1.846   1.939  -7.361
  320    HA   LEU  45           HA       LEU  45   0.686   2.579  -6.627
  321   1HB   LEU  45          1HB       LEU  45  -1.638   1.863  -5.374
  322   2HB   LEU  45          2HB       LEU  45  -0.132   2.306  -4.596
  323    HG   LEU  45           HG       LEU  45  -0.712  -0.559  -5.337
  324   1HD1  LEU  45          1HD1      LEU  45   1.121  -1.094  -4.149
  325   2HD1  LEU  45          2HD1      LEU  45   1.571   0.603  -4.445
  326   3HD1  LEU  45          3HD1      LEU  45   0.810   0.139  -2.904
  327   1HD2  LEU  45          1HD2      LEU  45  -2.452   0.779  -3.764
  328   2HD2  LEU  45          2HD2      LEU  45  -2.058  -0.946  -3.570
  329   3HD2  LEU  45          3HD2      LEU  45  -1.256   0.271  -2.548
  330    H    LEU  46           H        LEU  46  -0.590  -0.603  -7.674
  331    HA   LEU  46           HA       LEU  46   1.663  -2.092  -6.939
  332   1HB   LEU  46          1HB       LEU  46   0.471  -3.248  -9.222
  333   2HB   LEU  46          2HB       LEU  46  -0.822  -2.468  -8.334
  334    HG   LEU  46           HG       LEU  46  -0.347  -3.750  -6.352
  335   1HD1  LEU  46          1HD1      LEU  46  -0.986  -4.981  -8.905
  336   2HD1  LEU  46          2HD1      LEU  46  -0.264  -6.147  -7.770
  337   3HD1  LEU  46          3HD1      LEU  46  -1.713  -5.227  -7.299
  338   1HD2  LEU  46          1HD2      LEU  46   1.517  -5.681  -6.955
  339   2HD2  LEU  46          2HD2      LEU  46   2.225  -4.215  -7.676
  340   3HD2  LEU  46          3HD2      LEU  46   1.795  -4.239  -5.949
  341    H    LEU  47           H        LEU  47   0.833  -0.166  -9.853
  342    HA   LEU  47           HA       LEU  47   2.969  -1.051 -11.424
  343   1HB   LEU  47          1HB       LEU  47   2.036   1.733 -11.748
  344   2HB   LEU  47          2HB       LEU  47   0.783   0.509 -11.787
  345    HG   LEU  47           HG       LEU  47   1.532   1.028 -14.030
  346   1HD1  LEU  47          1HD1      LEU  47   4.125   1.085 -12.827
  347   2HD1  LEU  47          2HD1      LEU  47   4.131  -0.107 -14.149
  348   3HD1  LEU  47          3HD1      LEU  47   3.634   1.572 -14.468
  349   1HD2  LEU  47          1HD2      LEU  47   1.972  -1.198 -14.849
  350   2HD2  LEU  47          2HD2      LEU  47   2.533  -1.721 -13.243
  351   3HD2  LEU  47          3HD2      LEU  47   0.825  -1.286 -13.491
  352    H    GLU  48           H        GLU  48   2.700   1.354  -8.808
  353    HA   GLU  48           HA       GLU  48   5.307   2.377  -9.381
  354   1HB   GLU  48          1HB       GLU  48   4.316   3.123  -6.757
  355   2HB   GLU  48          2HB       GLU  48   3.012   3.249  -7.921
  356   1HG   GLU  48          1HG       GLU  48   5.774   4.523  -8.212
  357   2HG   GLU  48          2HG       GLU  48   4.307   5.371  -7.764
  358    H    LEU  49           H        LEU  49   3.826  -0.152  -7.443
  359    HA   LEU  49           HA       LEU  49   6.103  -0.365  -5.679
  360   1HB   LEU  49          1HB       LEU  49   4.671  -2.541  -5.123
  361   2HB   LEU  49          2HB       LEU  49   3.413  -1.618  -5.921
  362    HG   LEU  49           HG       LEU  49   3.496   0.116  -4.308
  363   1HD1  LEU  49          1HD1      LEU  49   2.638  -2.321  -3.675
  364   2HD1  LEU  49          2HD1      LEU  49   3.914  -2.171  -2.443
  365   3HD1  LEU  49          3HD1      LEU  49   2.603  -0.969  -2.517
  366   1HD2  LEU  49          1HD2      LEU  49   5.678   0.661  -3.871
  367   2HD2  LEU  49          2HD2      LEU  49   5.246  -0.175  -2.360
  368   3HD2  LEU  49          3HD2      LEU  49   6.172  -1.030  -3.617
  369    H    GLN  50           H        GLN  50   5.374  -1.212  -8.879
  370    HA   GLN  50           HA       GLN  50   7.140  -3.525  -8.699
  371   1HB   GLN  50          1HB       GLN  50   5.269  -2.814 -10.996
  372   2HB   GLN  50          2HB       GLN  50   4.789  -3.835  -9.654
  373   1HG   GLN  50          1HG       GLN  50   6.768  -5.349 -10.187
  374   2HG   GLN  50          2HG       GLN  50   7.070  -4.375 -11.613
  375   1HE2  GLN  50          1HE2      GLN  50   5.819  -7.165 -10.668
  376   2HE2  GLN  50          2HE2      GLN  50   4.552  -7.422 -11.822
  377    H    SER  51           H        SER  51   7.598  -0.417  -8.915
  378    HA   SER  51           HA       SER  51   9.388  -0.645 -11.206
  379   1HB   SER  51          1HB       SER  51   8.636   2.111 -10.478
  380   2HB   SER  51          2HB       SER  51   7.248   1.145 -10.937
  381    HG   SER  51           HG       SER  51   9.584   1.790 -12.486
  382    H    GLN  52           H        GLN  52   8.729   1.320  -8.207
  383    HA   GLN  52           HA       GLN  52  11.513   1.851  -7.932
  384   1HB   GLN  52          1HB       GLN  52  10.817   3.106  -5.906
  385   2HB   GLN  52          2HB       GLN  52   9.202   2.435  -6.028
  386   1HG   GLN  52          1HG       GLN  52   8.750   4.334  -7.227
  387   2HG   GLN  52          2HG       GLN  52   9.476   3.457  -8.559
  388   1HE2  GLN  52          1HE2      GLN  52   9.594   6.188  -6.614
  389   2HE2  GLN  52          2HE2      GLN  52  11.137   6.827  -7.073
  390    H    PHE  53           H        PHE  53   9.189  -0.536  -6.801
  391    HA   PHE  53           HA       PHE  53  11.229  -1.555  -4.949
  392   1HB   PHE  53          1HB       PHE  53   9.332  -2.395  -3.640
  393   2HB   PHE  53          2HB       PHE  53   8.219  -2.139  -4.969
  394    HD1  PHE  53           1HD      PHE  53   7.935   0.360  -5.731
  395    HD2  PHE  53           2HD      PHE  53   9.439  -0.823  -1.943
  396    HE1  PHE  53           1HE      PHE  53   7.329   2.606  -4.789
  397    HE2  PHE  53           2HE      PHE  53   8.833   1.423  -1.001
  398    HZ   PHE  53           HZ       PHE  53   7.785   3.111  -2.435
  399    H    GLY  54           H        GLY  54   9.354  -2.076  -7.835
  400   1HA   GLY  54          1HA       GLY  54  10.701  -4.335  -8.648
  401   2HA   GLY  54          2HA       GLY  54   9.124  -3.831  -9.222
  402    H    VAL  55           H        VAL  55   7.549  -4.073  -6.870
  403    HA   VAL  55           HA       VAL  55   7.968  -6.573  -5.613
  404    HB   VAL  55           HB       VAL  55   6.606  -4.405  -4.966
  405   1HG1  VAL  55          1HG1      VAL  55   4.176  -4.738  -5.220
  406   2HG1  VAL  55          2HG1      VAL  55   4.987  -4.552  -6.794
  407   3HG1  VAL  55          3HG1      VAL  55   4.482  -6.166  -6.238
  408   1HG2  VAL  55          1HG2      VAL  55   5.049  -6.502  -3.828
  409   2HG2  VAL  55          2HG2      VAL  55   6.704  -7.118  -4.051
  410   3HG2  VAL  55          3HG2      VAL  55   6.426  -5.630  -3.113
  411    H    ASP  56           H        ASP  56   6.288  -8.386  -5.729
  412    HA   ASP  56           HA       ASP  56   5.314  -8.638  -8.458
  413   1HB   ASP  56          1HB       ASP  56   5.965 -11.249  -7.555
  414   2HB   ASP  56          2HB       ASP  56   7.329 -10.260  -7.074
  415    H    ALA  57           H        ALA  57   3.507  -7.788  -6.697
  416    HA   ALA  57           HA       ALA  57   2.386  -9.991  -5.188
  417   1HB   ALA  57          1HB       ALA  57   1.672  -7.053  -5.516
  418   2HB   ALA  57          2HB       ALA  57   0.738  -8.190  -4.515
  419   3HB   ALA  57          3HB       ALA  57   2.435  -7.836  -4.111
  420    HA   PRO  58           HA       PRO  58  -0.542 -11.030  -8.196
  421   1HB   PRO  58          1HB       PRO  58  -1.121 -12.960  -7.082
  422   2HB   PRO  58          2HB       PRO  58  -2.570 -12.060  -6.680
  423   1HG   PRO  58          1HG       PRO  58  -0.667 -12.940  -4.821
  424   2HG   PRO  58          2HG       PRO  58  -1.870 -11.703  -4.513
  425   1HD   PRO  58          1HD       PRO  58   1.012 -11.371  -4.755
  426   2HD   PRO  58          2HD       PRO  58  -0.179 -10.156  -4.333
  427    H    VAL  59           H        VAL  59  -2.792 -10.750  -9.065
  428    HA   VAL  59           HA       VAL  59  -3.961  -8.318  -7.941
  429    HB   VAL  59           HB       VAL  59  -3.528  -8.690 -10.901
  430   1HG1  VAL  59          1HG1      VAL  59  -3.906  -6.218 -10.911
  431   2HG1  VAL  59          2HG1      VAL  59  -5.309  -7.158 -10.347
  432   3HG1  VAL  59          3HG1      VAL  59  -4.276  -6.310  -9.172
  433   1HG2  VAL  59          1HG2      VAL  59  -1.309  -8.594 -10.070
  434   2HG2  VAL  59          2HG2      VAL  59  -1.697  -6.942 -10.609
  435   3HG2  VAL  59          3HG2      VAL  59  -1.726  -7.342  -8.875
  436    H    SER  60           H        SER  60  -4.202 -11.096 -10.240
  437    HA   SER  60           HA       SER  60  -6.706 -11.061 -10.992
  438   1HB   SER  60          1HB       SER  60  -5.705 -13.012 -11.674
  439   2HB   SER  60          2HB       SER  60  -6.631 -13.682 -10.345
  440    HG   SER  60           HG       SER  60  -4.678 -14.388  -9.743
  441    H    GLU  61           H        GLU  61  -5.575 -11.645  -7.651
  442    HA   GLU  61           HA       GLU  61  -7.914 -10.795  -6.517
  443   1HB   GLU  61          1HB       GLU  61  -7.935 -13.682  -5.873
  444   2HB   GLU  61          2HB       GLU  61  -8.327 -13.351  -7.549
  445   1HG   GLU  61          1HG       GLU  61  -9.953 -11.528  -6.606
  446   2HG   GLU  61          2HG       GLU  61  -9.741 -12.324  -5.059
  447    H    PHE  62           H        PHE  62  -5.730  -9.870  -5.700
  448    HA   PHE  62           HA       PHE  62  -4.095 -11.472  -4.076
  449   1HB   PHE  62          1HB       PHE  62  -3.390  -9.308  -5.053
  450   2HB   PHE  62          2HB       PHE  62  -3.328  -9.159  -3.308
  451    HD1  PHE  62           1HD      PHE  62  -4.346  -7.567  -6.214
  452    HD2  PHE  62           2HD      PHE  62  -5.661  -8.320  -2.250
  453    HE1  PHE  62           1HE      PHE  62  -5.850  -5.561  -6.332
  454    HE2  PHE  62           2HE      PHE  62  -7.165  -6.314  -2.368
  455    HZ   PHE  62           HZ       PHE  62  -7.241  -4.959  -4.408
  456    H    ASP  63           H        ASP  63  -3.714 -10.544  -1.640
  457    HA   ASP  63           HA       ASP  63  -6.190 -11.188  -0.346
  458   1HB   ASP  63          1HB       ASP  63  -4.447 -10.733   1.704
  459   2HB   ASP  63          2HB       ASP  63  -3.290 -11.008   0.416
  460    H    ARG  64           H        ARG  64  -7.352  -9.142  -0.830
  461    HA   ARG  64           HA       ARG  64  -6.490  -6.653  -0.558
  462   1HB   ARG  64          1HB       ARG  64  -8.709  -6.578  -1.152
  463   2HB   ARG  64          2HB       ARG  64  -8.994  -6.388   0.567
  464   1HG   ARG  64          1HG       ARG  64  -8.897  -9.065   0.555
  465   2HG   ARG  64          2HG       ARG  64  -9.281  -8.864  -1.143
  466   1HD   ARG  64          1HD       ARG  64 -11.413  -9.027  -0.099
  467   2HD   ARG  64          2HD       ARG  64 -11.212  -7.306  -0.359
  468    HE   ARG  64           HE       ARG  64 -10.760  -7.007   1.995
  469   1HH1  ARG  64          1HH1      ARG  64 -11.696  -9.260   4.490
  470   2HH1  ARG  64          2HH1      ARG  64 -11.217  -7.631   4.145
  471   1HH2  ARG  64          1HH2      ARG  64 -11.874 -10.807   2.769
  472   2HH2  ARG  64          2HH2      ARG  64 -11.527 -10.333   1.140
  473    H    LYS  65           H        LYS  65  -7.019  -9.005   2.029
  474    HA   LYS  65           HA       LYS  65  -7.300  -7.264   4.184
  475   1HB   LYS  65          1HB       LYS  65  -6.576 -10.119   3.777
  476   2HB   LYS  65          2HB       LYS  65  -7.840  -9.404   4.758
  477   1HG   LYS  65          1HG       LYS  65  -5.680  -8.447   6.106
  478   2HG   LYS  65          2HG       LYS  65  -4.954  -9.893   5.434
  479   1HD   LYS  65          1HD       LYS  65  -5.860 -10.562   7.550
  480   2HD   LYS  65          2HD       LYS  65  -6.961 -11.206   6.349
  481   1HE   LYS  65          1HE       LYS  65  -8.471  -9.232   6.675
  482   2HE   LYS  65          2HE       LYS  65  -7.370  -8.590   7.878
  483   1HZ   LYS  65          1HZ       LYS  65  -7.995 -11.257   8.472
  484   2HZ   LYS  65          2HZ       LYS  65  -8.257  -9.919   9.371
  485   3HZ   LYS  65          3HZ       LYS  65  -9.375 -10.403   8.284
  486    H    GLU  66           H        GLU  66  -4.451  -8.390   2.347
  487    HA   GLU  66           HA       GLU  66  -2.692  -7.168   4.253
  488   1HB   GLU  66          1HB       GLU  66  -2.236  -8.619   1.616
  489   2HB   GLU  66          2HB       GLU  66  -1.944  -9.234   3.230
  490   1HG   GLU  66          1HG       GLU  66  -0.317  -7.145   3.440
  491   2HG   GLU  66          2HG       GLU  66  -0.373  -7.151   1.689
  492    H    TRP  67           H        TRP  67  -4.357  -6.381   1.258
  493    HA   TRP  67           HA       TRP  67  -2.669  -4.004   0.932
  494   1HB   TRP  67          1HB       TRP  67  -3.446  -3.876  -1.304
  495   2HB   TRP  67          2HB       TRP  67  -4.698  -5.071  -1.025
  496    HD1  TRP  67           HD       TRP  67  -3.993  -7.633  -1.310
  497    HE1  TRP  67           1HE      TRP  67  -1.842  -8.949  -2.087
  498    HE3  TRP  67           3HE      TRP  67  -0.851  -3.638  -1.149
  499    HZ2  TRP  67           2HZ      TRP  67   0.872  -8.188  -2.538
  500    HZ3  TRP  67           3HZ      TRP  67   1.534  -4.011  -1.773
  501    HH2  TRP  67           HH       TRP  67   2.409  -6.191  -2.449
  502    H    ASP  68           H        ASP  68  -4.785  -4.574   3.056
  503    HA   ASP  68           HA       ASP  68  -6.856  -2.744   2.214
  504   1HB   ASP  68          1HB       ASP  68  -6.514  -4.809   4.353
  505   2HB   ASP  68          2HB       ASP  68  -7.907  -4.479   3.342
  506    H    THR  69           H        THR  69  -4.105  -3.169   4.472
  507    HA   THR  69           HA       THR  69  -4.512  -0.403   5.407
  508    HB   THR  69           HB       THR  69  -3.011  -1.457   7.368
  509    HG1  THR  69           1HG      THR  69  -3.307  -3.730   7.404
  510   1HG2  THR  69          1HG2      THR  69  -5.974  -2.123   6.963
  511   2HG2  THR  69          2HG2      THR  69  -5.102  -2.309   8.503
  512   3HG2  THR  69          3HG2      THR  69  -5.326  -0.690   7.797
  513    HA   PRO  70           HA       PRO  70  -0.631   0.578   3.866
  514   1HB   PRO  70          1HB       PRO  70  -0.864   2.802   4.415
  515   2HB   PRO  70          2HB       PRO  70   0.319   2.418   5.649
  516   1HG   PRO  70          1HG       PRO  70  -2.319   3.216   6.157
  517   2HG   PRO  70          2HG       PRO  70  -1.268   2.431   7.320
  518   1HD   PRO  70          1HD       PRO  70  -3.642   1.340   6.038
  519   2HD   PRO  70          2HD       PRO  70  -2.659   0.601   7.286
  520    H    ASN  71           H        ASN  71  -0.635  -0.388   7.213
  521    HA   ASN  71           HA       ASN  71   2.117  -0.800   7.335
  522   1HB   ASN  71          1HB       ASN  71   0.734  -2.661   9.066
  523   2HB   ASN  71          2HB       ASN  71  -0.207  -1.183   9.029
  524   1HD2  ASN  71          1HD2      ASN  71   0.374  -0.981  11.255
  525   2HD2  ASN  71          2HD2      ASN  71   1.890  -0.287  11.724
  526    H    LYS  72           H        LYS  72  -0.743  -2.965   6.736
  527    HA   LYS  72           HA       LYS  72   0.638  -5.353   6.514
  528   1HB   LYS  72          1HB       LYS  72  -1.463  -5.744   4.856
  529   2HB   LYS  72          2HB       LYS  72  -2.017  -4.303   5.684
  530   1HG   LYS  72          1HG       LYS  72  -1.492  -5.448   7.895
  531   2HG   LYS  72          2HG       LYS  72  -1.112  -6.907   7.001
  532   1HD   LYS  72          1HD       LYS  72  -3.342  -7.281   6.373
  533   2HD   LYS  72          2HD       LYS  72  -3.767  -5.583   6.457
  534   1HE   LYS  72          1HE       LYS  72  -4.764  -6.950   8.327
  535   2HE   LYS  72          2HE       LYS  72  -3.774  -5.620   8.897
  536   1HZ   LYS  72          1HZ       LYS  72  -3.308  -8.436   9.097
  537   2HZ   LYS  72          2HZ       LYS  72  -1.984  -7.569   8.695
  538   3HZ   LYS  72          3HZ       LYS  72  -2.801  -7.224  10.067
  539    H    ILE  73           H        ILE  73   0.190  -2.661   4.216
  540    HA   ILE  73           HA       ILE  73   1.240  -4.169   2.018
  541    HB   ILE  73           HB       ILE  73   0.482  -1.290   2.452
  542   1HG1  ILE  73          1HG1      ILE  73  -1.381  -2.814   2.238
  543   2HG1  ILE  73          2HG1      ILE  73  -0.686  -3.551   0.808
  544   1HG2  ILE  73          1HG2      ILE  73   2.097  -2.496   0.264
  545   2HG2  ILE  73          2HG2      ILE  73   0.810  -1.358  -0.201
  546   3HG2  ILE  73          3HG2      ILE  73   2.094  -0.841   0.919
  547   1HD1  ILE  73          1HD1      ILE  73  -1.235  -1.764  -0.565
  548   2HD1  ILE  73          2HD1      ILE  73  -2.528  -1.595   0.647
  549   3HD1  ILE  73          3HD1      ILE  73  -1.075  -0.571   0.747
  550    H    ILE  74           H        ILE  74   2.417  -1.458   4.126
  551    HA   ILE  74           HA       ILE  74   4.897  -1.154   3.042
  552    HB   ILE  74           HB       ILE  74   3.627  -0.679   5.655
  553   1HG1  ILE  74          1HG1      ILE  74   3.788   0.917   3.686
  554   2HG1  ILE  74          2HG1      ILE  74   5.501   1.054   4.028
  555   1HG2  ILE  74          1HG2      ILE  74   5.812   0.013   6.682
  556   2HG2  ILE  74          2HG2      ILE  74   5.566  -1.744   6.538
  557   3HG2  ILE  74          3HG2      ILE  74   6.633  -0.898   5.392
  558   1HD1  ILE  74          1HD1      ILE  74   3.672   2.705   5.136
  559   2HD1  ILE  74          2HD1      ILE  74   3.642   1.410   6.357
  560   3HD1  ILE  74          3HD1      ILE  74   5.168   2.246   5.984
  561    H    ALA  75           H        ALA  75   3.609  -3.857   4.911
  562    HA   ALA  75           HA       ALA  75   6.240  -4.930   5.428
  563   1HB   ALA  75          1HB       ALA  75   5.131  -6.057   7.028
  564   2HB   ALA  75          2HB       ALA  75   3.664  -5.169   6.552
  565   3HB   ALA  75          3HB       ALA  75   4.015  -6.760   5.833
  566    H    LYS  76           H        LYS  76   3.501  -5.336   3.156
  567    HA   LYS  76           HA       LYS  76   4.451  -7.736   2.021
  568   1HB   LYS  76          1HB       LYS  76   2.632  -5.649   0.786
  569   2HB   LYS  76          2HB       LYS  76   2.099  -6.863   1.931
  570   1HG   LYS  76          1HG       LYS  76   3.259  -7.319  -0.849
  571   2HG   LYS  76          2HG       LYS  76   1.655  -7.737  -0.280
  572   1HD   LYS  76          1HD       LYS  76   2.936  -9.230   1.485
  573   2HD   LYS  76          2HD       LYS  76   4.299  -9.062   0.397
  574   1HE   LYS  76          1HE       LYS  76   2.292  -9.712  -1.389
  575   2HE   LYS  76          2HE       LYS  76   1.761 -10.587   0.033
  576   1HZ   LYS  76          1HZ       LYS  76   3.215 -11.970  -1.149
  577   2HZ   LYS  76          2HZ       LYS  76   4.358 -10.815  -1.309
  578   3HZ   LYS  76          3HZ       LYS  76   4.061 -11.473   0.156
  579    H    VAL  77           H        VAL  77   5.327  -4.344   1.698
  580    HA   VAL  77           HA       VAL  77   6.616  -4.726  -0.842
  581    HB   VAL  77           HB       VAL  77   6.707  -2.445   1.143
  582   1HG1  VAL  77          1HG1      VAL  77   8.160  -2.944  -1.310
  583   2HG1  VAL  77          2HG1      VAL  77   7.118  -1.512  -1.483
  584   3HG1  VAL  77          3HG1      VAL  77   8.306  -1.593  -0.160
  585   1HG2  VAL  77          1HG2      VAL  77   4.549  -2.192   0.558
  586   2HG2  VAL  77          2HG2      VAL  77   5.193  -1.601  -0.992
  587   3HG2  VAL  77          3HG2      VAL  77   4.693  -3.301  -0.827
  588    H    GLU  78           H        GLU  78   7.437  -4.788   2.628
  589    HA   GLU  78           HA       GLU  78  10.228  -4.778   2.105
  590   1HB   GLU  78          1HB       GLU  78  10.349  -5.363   4.588
  591   2HB   GLU  78          2HB       GLU  78   8.597  -5.370   4.610
  592   1HG   GLU  78          1HG       GLU  78   8.696  -3.134   4.998
  593   2HG   GLU  78          2HG       GLU  78   9.201  -2.949   3.330
  594    H    GLN  79           H        GLN  79   7.642  -7.168   2.347
  595    HA   GLN  79           HA       GLN  79   9.550  -9.306   2.640
  596   1HB   GLN  79          1HB       GLN  79   6.848 -10.218   2.110
  597   2HB   GLN  79          2HB       GLN  79   6.792  -8.927   3.293
  598   1HG   GLN  79          1HG       GLN  79   8.837 -10.263   4.386
  599   2HG   GLN  79          2HG       GLN  79   8.178 -11.608   3.475
  600   1HE2  GLN  79          1HE2      GLN  79   7.355  -9.049   5.775
  601   2HE2  GLN  79          2HE2      GLN  79   6.085  -9.884   6.604
  602    H    ALA  80           H        ALA  80   9.391  -7.479   0.200
  603    HA   ALA  80           HA       ALA  80   8.932  -9.612  -1.773
  604   1HB   ALA  80          1HB       ALA  80   7.271  -8.177  -2.423
  605   2HB   ALA  80          2HB       ALA  80   8.041  -6.767  -1.657
  606   3HB   ALA  80          3HB       ALA  80   8.624  -7.352  -3.234
  607    H    GLN  81           H        GLN  81  10.781  -6.655  -0.832
  608    HA   GLN  81           HA       GLN  81  12.564  -6.563  -2.839
  609   1HB   GLN  81          1HB       GLN  81  14.159  -5.591  -1.146
  610   2HB   GLN  81          2HB       GLN  81  13.095  -6.138   0.135
  611   1HG   GLN  81          1HG       GLN  81  12.751  -3.716  -0.526
  612   2HG   GLN  81          2HG       GLN  81  11.297  -4.690  -0.610
  613   1HE2  GLN  81          1HE2      GLN  81  10.245  -4.943  -2.476
  614   2HE2  GLN  81          2HE2      GLN  81  10.729  -4.295  -4.007