NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
623344 5x3z 36059 cing 1-original 3 AMBER distance NOE simple


#   5 LYS+   HA   56 GLU-   HA  1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  58, 873, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, 
      rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
 &end
#
#   5 LYS+   HA   59  VAL  QG1  1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 923, 924, 925,
 &end
#
#   5 LYS+   HA   59  VAL  QG2  1.80 3.15
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 927, 928, 929,
 &end
#
#   5 LYS+   HA    5 LYS+   QG  1.80 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=  63,  64,
 &end
#
#   5 LYS+  HG2   56 GLU-   QB  1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 875, 876,
 &end
#
#   5 LYS+  HG2   56 GLU-   QG  1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 878, 879,
 &end
#
#   5 LYS+  HG2    5 LYS+   QE  1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=  69,  70,
 &end
#
#   5 LYS+  HG3   56 GLU-   QB  1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 875, 876,
 &end
#
#   5 LYS+  HG3   56 GLU-   QG  1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 878, 879,
 &end
#
#   5 LYS+  HG3    5 LYS+   QE  1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=  69,  70,
 &end
#
#   5 LYS+   HN    5 LYS+  HG2  1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  63, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#   5 LYS+   HN    5 LYS+  HG3  1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  64, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#   5 LYS+   HN    5 LYS+   QG  1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=  63,  64,
 &end
#
#   5 LYS+   HN    6 LYS+   HN  1.80 3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  78, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   5 LYS+   QB   52  THR  QG2  1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=  60,  61,
 igr2= 817, 818, 819,
 &end
#
#   5 LYS+   QB   53  PHE  HB2  1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=  60,  61,
 &end
#
#   5 LYS+   QB   53  PHE   HN  1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=  60,  61,
 &end
#
#   5 LYS+   QB   59  VAL  QG2  1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=  60,  61,
 igr2= 927, 928, 929,
 &end
#
#   5 LYS+   QD   53  PHE   HN  1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1=  66,  67,
 &end
#
#   5 LYS+   QD   56 GLU-   HA  1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=  66,  67,
 &end
#
#   5 LYS+   QD   56 GLU-   QG  1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1=  66,  67,
 igr2= 878, 879,
 &end
#
#   5 LYS+   QE   56 GLU-   HN  1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 871, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=  69,  70,
 &end
#
#   5 LYS+   QE   56 GLU-   QB  1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=  69,  70,
 igr2= 875, 876,
 &end
#
#   5 LYS+   QG   56 GLU-   HA  1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=  63,  64,
 &end
#
#   5 LYS+   QG   56 GLU-   QB  1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=  63,  64,
 igr2= 875, 876,
 &end
#
#   5 LYS+   QG   56 GLU-   QG  1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=  63,  64,
 igr2= 878, 879,
 &end
#
#   5 LYS+   QG    5 LYS+   QE  1.80 3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1=  63,  64,
 igr2=  69,  70,
 &end
#
#   6 LYS+   HA   52  THR   HA  1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 813, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#   6 LYS+   HA   52  THR  QG2  1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 817, 818, 819,
 &end
#
#   6 LYS+   HA   53  PHE   HN  1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 825, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   6 LYS+   HA    6 LYS+   QD  1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=  88,  89,
 &end
#
#   6 LYS+   HA    6 LYS+   QG  1.80 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=  85,  86,
 &end
#
#   6 LYS+   HA    7  ILE   HN  1.80 3.15
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 100, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
#   6 LYS+   HA    7  ILE  QG2  1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr2= 106, 107, 108,
 &end
#
#   6 LYS+   HA   80  ALA   QB  1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2=1276,1277,1278,
 &end
#
#   6 LYS+  HB2   80  ALA   QB  1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  82,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1276,1277,1278,
 &end
#
#   6 LYS+  HB3   80  ALA   QB  1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1276,1277,1278,
 &end
#
#   6 LYS+   HN   59  VAL  QG1  1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 923, 924, 925,
 &end
#
#   6 LYS+   HN   59  VAL  QG2  1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 927, 928, 929,
 &end
#
#   6 LYS+   HN    6 LYS+  HB2  1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  82, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#   6 LYS+   HN    6 LYS+  HB3  1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  83, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#   6 LYS+   HN    6 LYS+   QB  1.80 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2=  82,  83,
 &end
#
#   6 LYS+   HN   80  ALA   QB  1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2=1276,1277,1278,
 &end
#
#   6 LYS+   QB    6 LYS+   QD  1.80 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  82,  83,
 igr2=  88,  89,
 &end
#
#   6 LYS+   QB    7  ILE   HN  1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1=  82,  83,
 &end
#
#   6 LYS+   QB   80  ALA   QB  1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=  82,  83,
 igr2=1276,1277,1278,
 &end
#
#   6 LYS+   QE   50  PHE   QB  1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=  91,  92,
 igr2= 779, 780,
 &end
#
#   6 LYS+   QE   50  PHE   QD  1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  91,  92,
 igr2= 783, 791,
 &end
#
#   6 LYS+   QE   80  ALA   QB  1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=  91,  92,
 igr2=1276,1277,1278,
 &end
#
#   6 LYS+   QG   50  PHE   HA  1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 777, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=  85,  86,
 &end
#
#   6 LYS+   QG   50  PHE   QB  1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1=  85,  86,
 igr2= 779, 780,
 &end
#
#   6 LYS+   QG   50  PHE   QD  1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=  85,  86,
 igr2= 783, 791,
 &end
#
#   6 LYS+   QG   51  VAL   HN  1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1=  85,  86,
 &end
#
#   6 LYS+   QG   52  THR   HA  1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=  85,  86,
 &end
#
#   6 LYS+   QG   52  THR   HN  1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 811, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  85,  86,
 &end
#
#   6 LYS+   QG    6 LYS+   QE  1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  85,  86,
 igr2=  91,  92,
 &end
#
#   6 LYS+   QG    7  ILE   HN  1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=  85,  86,
 &end
#
#   6 LYS+   QG   80  ALA   QB  1.80 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=  85,  86,
 igr2=1276,1277,1278,
 &end
#
#   7  ILE   HA   59  VAL  QG2  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 927, 928, 929,
 &end
#
#   7  ILE   HA   79 LYS+   HA  1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 102,1252, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   7  ILE   HA    7  ILE  QD1  1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 113, 114, 115,
 &end
#
#   7  ILE   HA    7  ILE  QG2  1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 106, 107, 108,
 &end
#
#   7  ILE   HA   80  ALA   HN  1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 102,1272, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#   7  ILE   HA   80  ALA   QB  1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=1276,1277,1278,
 &end
#
#   7  ILE   HA    8  PHE   HN  1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 119, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#   7  ILE   HB   78 LYS+   HN  1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 104,1228, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   7  ILE   HB    7  ILE  QD1  1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 113, 114, 115,
 &end
#
#   7  ILE   HB   80  ALA   HN  1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 104,1272, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   7  ILE   HB    8  PHE  HB3  1.80 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 124, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#   7  ILE   HB    8  PHE   HN  1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 119, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#   7  ILE HG12   51  VAL   HN  1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 795, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#   7  ILE HG12   53  PHE   QE  1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 835, 839,
 &end
#
#   7  ILE HG13   51  VAL   HN  1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 795, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#   7  ILE HG13   53  PHE   QE  1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 835, 839,
 &end
#
#   7  ILE   HN   51  VAL   HN  1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 100, 795, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   7  ILE   HN    7  ILE HG12  1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 100, 110, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#   7  ILE   HN    7  ILE HG13  1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 100, 111, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#   7  ILE   HN    7  ILE  QD1  1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 113, 114, 115,
 &end
#
#   7  ILE   HN    7  ILE  QG1  1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 110, 111,
 &end
#
#   7  ILE   HN    7  ILE  QG2  1.80 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 106, 107, 108,
 &end
#
#   7  ILE   HN   80  ALA   QB  1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1276,1277,1278,
 &end
#
#   7  ILE  QD1   25  PHE  HB3  1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 113, 114, 115,
 &end
#
#   7  ILE  QD1   25  PHE   QD  1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 113, 114, 115,
 igr2= 384, 392,
 &end
#
#   7  ILE  QD1   25  PHE   QE  1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 113, 114, 115,
 igr2= 386, 390,
 &end
#
#   7  ILE  QD1   51  VAL   HB  1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 113, 114, 115,
 &end
#
#   7  ILE  QD1   51  VAL   HN  1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 113, 114, 115,
 &end
#
#   7  ILE  QD1   53  PHE   HZ  1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 113, 114, 115,
 &end
#
#   7  ILE  QD1   53  PHE   QD  1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 113, 114, 115,
 igr2= 833, 841,
 &end
#
#   7  ILE  QD1   53  PHE   QE  1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 113, 114, 115,
 igr2= 835, 839,
 &end
#
#   7  ILE  QD1   59  VAL   HA  1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 113, 114, 115,
 &end
#
#   7  ILE  QD1   62  VAL   HB  1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 974, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 113, 114, 115,
 &end
#
#   7  ILE  QD1   62  VAL  QG1  1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 113, 114, 115,
 igr2= 976, 977, 978,
 &end
#
#   7  ILE  QD1   62  VAL  QG2  1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 113, 114, 115,
 igr2= 980, 981, 982,
 &end
#
#   7  ILE  QD1   77  CYS   HA  1.80 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 113, 114, 115,
 &end
#
#   7  ILE  QD1   77  CYS  HB2  1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 113, 114, 115,
 &end
#
#   7  ILE  QD1   77  CYS  HB3  1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 113, 114, 115,
 &end
#
#   7  ILE  QD1   77  CYS   QB  1.80 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 113, 114, 115,
 igr2=1221,1222,
 &end
#
#   7  ILE  QD1    9  VAL  QG2  1.80 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 113, 114, 115,
 igr2= 149, 150, 151,
 &end
#
#   7  ILE  QG1   50  PHE   HA  1.80 5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 777, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 110, 111,
 &end
#
#   7  ILE  QG1   51  VAL   HB  1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1= 110, 111,
 &end
#
#   7  ILE  QG1   51  VAL   HN  1.80 3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 110, 111,
 &end
#
#   7  ILE  QG1   51  VAL  QG1  1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 110, 111,
 igr2= 801, 802, 803,
 &end
#
#   7  ILE  QG1   53  PHE   QD  1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 110, 111,
 igr2= 833, 841,
 &end
#
#   7  ILE  QG1   53  PHE   QE  1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 110, 111,
 igr2= 835, 839,
 &end
#
#   7  ILE  QG1    9  VAL  QG2  1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1= 110, 111,
 igr2= 149, 150, 151,
 &end
#
#   7  ILE  QG2   53  PHE   HZ  1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 106, 107, 108,
 &end
#
#   7  ILE  QG2   53  PHE   QD  1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 106, 107, 108,
 igr2= 833, 841,
 &end
#
#   7  ILE  QG2   53  PHE   QE  1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 106, 107, 108,
 igr2= 835, 839,
 &end
#
#   7  ILE  QG2   59  VAL   HA  1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 106, 107, 108,
 &end
#
#   7  ILE  QG2   59  VAL   HB  1.80 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 106, 107, 108,
 &end
#
#   7  ILE  QG2   62  VAL   HB  1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 974, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 106, 107, 108,
 &end
#
#   7  ILE  QG2   77  CYS   HA  1.80 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 106, 107, 108,
 &end
#
#   7  ILE  QG2   77  CYS  HB2  1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 106, 107, 108,
 &end
#
#   7  ILE  QG2   77  CYS  HB3  1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 106, 107, 108,
 &end
#
#   7  ILE  QG2   77  CYS   QB  1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 106, 107, 108,
 igr2=1221,1222,
 &end
#
#   7  ILE  QG2   79 LYS+   HA  1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1252, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 106, 107, 108,
 &end
#
#   7  ILE  QG2   79 LYS+   HN  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1250, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 106, 107, 108,
 &end
#
#   7  ILE  QG2    7  ILE HG12  1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 110, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 106, 107, 108,
 &end
#
#   7  ILE  QG2    7  ILE HG13  1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 111, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 106, 107, 108,
 &end
#
#   7  ILE  QG2    7  ILE  QD1  1.80 2.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr1= 106, 107, 108,
 igr2= 113, 114, 115,
 &end
#
#   7  ILE  QG2   80  ALA   HN  1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1272, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 106, 107, 108,
 &end
#
#   7  ILE  QG2    8  PHE   HN  1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 106, 107, 108,
 &end
#
#   8  PHE   HA   50  PHE   HA  1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 777, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   8  PHE   HA   50  PHE   QD  1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 783, 791,
 &end
#
#   8  PHE   HA    8  PHE   QD  1.80 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 127, 135,
 &end
#
#   8  PHE   HA    9  VAL   HN  1.80 3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 139, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
#   8  PHE   HA    9  VAL  QG2  1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 149, 150, 151,
 &end
#
#   8  PHE  HB2   50  PHE   QD  1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 783, 791,
 &end
#
#   8  PHE  HB2   50  PHE   QE  1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 785, 789,
 &end
#
#   8  PHE  HB2   78 LYS+   QG  1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1235,1236,
 &end
#
#   8  PHE  HB2   80  ALA   HA  1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 123,1274, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   8  PHE  HB2   80  ALA   QB  1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1276,1277,1278,
 &end
#
#   8  PHE  HB3   50  PHE   QE  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 785, 789,
 &end
#
#   8  PHE  HB3   78 LYS+   HN  1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 124,1228, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   8  PHE  HB3   78 LYS+   QB  1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2=1232,1233,
 &end
#
#   8  PHE  HB3   78 LYS+   QG  1.80 5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1235,1236,
 &end
#
#   8  PHE   HN   80  ALA   HN  1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 119,1272, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#   8  PHE   HN   80  ALA   QB  1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1276,1277,1278,
 &end
#
#   8  PHE   HN    8  PHE  HB2  1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 123, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#   8  PHE   HN    8  PHE  HB3  1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 124, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#   8  PHE   HN    8  PHE   QD  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 127, 135,
 &end
#
#   8  PHE   QD   10  GLY   HN  1.80 5.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1= 127, 135,
 &end
#
#   8  PHE   QD   48  PHE   QD  1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 127, 135,
 igr2= 756, 764,
 &end
#
#   8  PHE   QD   50  PHE   QD  1.80 5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
 igr1= 127, 135,
 igr2= 783, 791,
 &end
#
#   8  PHE   QD   50  PHE   QE  1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 127, 135,
 igr2= 785, 789,
 &end
#
#   8  PHE   QD   78 LYS+   HN  1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 127, 135,
 &end
#
#   8  PHE   QD   78 LYS+   QB  1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 127, 135,
 igr2=1232,1233,
 &end
#
#   8  PHE   QD   78 LYS+   QE  1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 127, 135,
 igr2=1241,1242,
 &end
#
#   8  PHE   QD   78 LYS+   QG  1.80 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 127, 135,
 igr2=1235,1236,
 &end
#
#   8  PHE   QE   10  GLY   QA  1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 129, 133,
 igr2= 157, 158,
 &end
#
#   8  PHE   QE   48  PHE  HB2  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 129, 133,
 &end
#
#   8  PHE   QE   48  PHE  HB3  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 753, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 129, 133,
 &end
#
#   8  PHE   QE   48  PHE   QB  1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 129, 133,
 igr2= 752, 753,
 &end
#
#   8  PHE   QE   78 LYS+   QE  1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 129, 133,
 igr2=1241,1242,
 &end
#
#   9  VAL   HA   77  CYS   HA  1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 141,1219, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#   9  VAL   HA    9  VAL  QG1  1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 145, 146, 147,
 &end
#
#   9  VAL   HA    9  VAL  QG2  1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 149, 150, 151,
 &end
#
#   9  VAL   HB   10  GLY   HN  1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 155, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#   9  VAL   HB   21  VAL  QG1  1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 306, 307, 308,
 &end
#
#   9  VAL   HB   21  VAL  QG2  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 310, 311, 312,
 &end
#
#   9  VAL   HB   49  GLY   HN  1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 768, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   9  VAL   HB   50  PHE   HA  1.80 5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 777, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   9  VAL   HN   49  GLY   HN  1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 768, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   9  VAL   HN   50  PHE   HA  1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 777, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#   9  VAL   HN    9  VAL   HB  1.80 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 143, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#   9  VAL   HN    9  VAL  QG1  1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 139,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 145, 146, 147,
 &end
#
#   9  VAL   HN    9  VAL  QG2  1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 139,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2= 149, 150, 151,
 &end
#
#   9  VAL  QG1   10  GLY   HN  1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 145, 146, 147,
 &end
#
#   9  VAL  QG1   25  PHE   QE  1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 145, 146, 147,
 igr2= 386, 390,
 &end
#
#   9  VAL  QG1   49  GLY   HN  1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 145, 146, 147,
 &end
#
#   9  VAL  QG1   77  CYS   HA  1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 145, 146, 147,
 &end
#
#   9  VAL  QG2   10  GLY   HN  1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 149, 150, 151,
 &end
#
#   9  VAL  QG2   25  PHE   QE  1.80 3.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 149, 150, 151,
 igr2= 386, 390,
 &end
#
#   9  VAL  QG2   49  GLY   HN  1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 149, 150, 151,
 &end
#
#   9  VAL  QG2   50  PHE   HA  1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 777, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 149, 150, 151,
 &end
#
#   9  VAL  QG2   51  VAL   HA  1.80 5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 149, 150, 151,
 &end
#
#   9  VAL  QG2   51  VAL   HB  1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 149, 150, 151,
 &end
#
#   9  VAL  QG2   51  VAL   HN  1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 149, 150, 151,
 &end
#
#   9  VAL  QG2   77  CYS   HA  1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 149, 150, 151,
 &end
#
#   9  VAL  QG2   77  CYS  HB2  1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 149, 150, 151,
 &end
#
#   9  VAL  QG2   77  CYS  HB3  1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 149, 150, 151,
 &end
#
#  10  GLY   HN   77  CYS   HA  1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 155,1219, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  10  GLY   QA   11  GLY   HN  1.80 3.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr1= 157, 158,
 &end
#
#  10  GLY   QA   12  LEU   HN  1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 157, 158,
 &end
#
#  10  GLY   QA   48  PHE   HA  1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 157, 158,
 &end
#
#  11  GLY   HN   12  LEU   HG  1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 176, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  11  GLY   HN   12  LEU   HN  1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 169, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  11  GLY   HN   48  PHE   HA  1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 750, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  12  LEU   HA   12  LEU   HG  1.80 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 176, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  12  LEU   HA   12  LEU  QD1  1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 178, 179, 180,
 &end
#
#  12  LEU   HA   12  LEU  QD2  1.80 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 182, 183, 184,
 &end
#
#  12  LEU   HA   13  SER   HN  1.80 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 188, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#  12  LEU   HA   75  VAL  QG1  1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=1192,1193,1194,
 &end
#
#  12  LEU  HB2   12  LEU  QD1  1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 173,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 178, 179, 180,
 &end
#
#  12  LEU  HB2   45 HIS   HE1  1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 709, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  12  LEU  HB3   12  LEU  QD1  1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 178, 179, 180,
 &end
#
#  12  LEU  HB3   45 HIS   HE1  1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 709, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  12  LEU   HG   13  SER   HN  1.80 5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 188, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#  12  LEU   HG   48  PHE   HA  1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 750, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  12  LEU   HG   70  ILE  QD1  1.80 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=1113,1114,1115,
 &end
#
#  12  LEU   HG   75  VAL  QG1  1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1192,1193,1194,
 &end
#
#  12  LEU   HN   12  LEU  HB2  1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 173, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  12  LEU   HN   12  LEU  HB3  1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 174, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  12  LEU   HN   12  LEU   HG  1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 176, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  12  LEU   HN   12  LEU   QB  1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 173, 174,
 &end
#
#  12  LEU   HN   12  LEU  QD1  1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 178, 179, 180,
 &end
#
#  12  LEU   HN   12  LEU  QD2  1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 182, 183, 184,
 &end
#
#  12  LEU   HN   47  GLY   QA  1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 743, 744,
 &end
#
#  12  LEU   HN   48  PHE   HA  1.80 5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 750, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  12  LEU   HN   75  VAL  QG1  1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1192,1193,1194,
 &end
#
#  12  LEU   QB   12  LEU  QD2  1.80 3.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 173, 174,
 igr2= 182, 183, 184,
 &end
#
#  12  LEU   QB   13  SER   HN  1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 173, 174,
 &end
#
#  12  LEU   QB   16  THR   HB  1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 173, 174,
 &end
#
#  12  LEU   QB   45 HIS   HE1  1.80 3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 173, 174,
 &end
#
#  12  LEU   QB   47  GLY   QA  1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 173, 174,
 igr2= 743, 744,
 &end
#
#  12  LEU   QB   48  PHE   HN  1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 173, 174,
 &end
#
#  12  LEU  QD1   16  THR  QG2  1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 178, 179, 180,
 igr2= 235, 236, 237,
 &end
#
#  12  LEU  QD1   21  VAL  QG2  1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 178, 179, 180,
 igr2= 310, 311, 312,
 &end
#
#  12  LEU  QD1   45 HIS   HE1  1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 178, 179, 180,
 &end
#
#  12  LEU  QD1   48  PHE   HA  1.80 3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 178, 179, 180,
 &end
#
#  12  LEU  QD1   48  PHE   HN  1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 178, 179, 180,
 &end
#
#  12  LEU  QD1   49  GLY   HN  1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 178, 179, 180,
 &end
#
#  12  LEU  QD2   13  SER   HN  1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 182, 183, 184,
 &end
#
#  12  LEU  QD2   16  THR   HB  1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 182, 183, 184,
 &end
#
#  12  LEU  QD2   16  THR  QG2  1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 182, 183, 184,
 igr2= 235, 236, 237,
 &end
#
#  12  LEU  QD2   21  VAL  QG2  1.80 2.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 182, 183, 184,
 igr2= 310, 311, 312,
 &end
#
#  12  LEU  QD2   70  ILE   HB  1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1104, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 182, 183, 184,
 &end
#
#  12  LEU  QD2   70  ILE  QD1  1.80 3.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 182, 183, 184,
 igr2=1113,1114,1115,
 &end
#
#  12  LEU  QD2   75  VAL   HB  1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1190, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 182, 183, 184,
 &end
#
#  12  LEU  QD2   75  VAL  QG1  1.80 2.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 182, 183, 184,
 igr2=1192,1193,1194,
 &end
#
#  13  SER   HA   14  VAL   HN  1.80 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 199, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  13  SER   HN   13  SER  HB2  1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 188, 192, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  13  SER   HN   13  SER  HB3  1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 188, 193, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  13  SER   HN   13  SER   QB  1.80 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 192, 193,
 &end
#
#  13  SER   HN   14  VAL   HN  3.50 100.00
 &rst
  ixpk= 0, nxpk= 0, iat= 188, 199, r1= 3.00, r2= 3.50, r3=100.00, r4=100.50,  &end
#
#  13  SER   HN   16  THR   HB  1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 188, 233, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  13  SER   HN   16  THR  HG1  1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 188, 239, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  13  SER   HN   16  THR  QG2  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 235, 236, 237,
 &end
#
#  13  SER   HN   70  ILE  QG2  1.80 5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2=1106,1107,1108,
 &end
#
#  13  SER   HN   75  VAL  QG1  1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1192,1193,1194,
 &end
#
#  13  SER   QB   14  VAL   HN  1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 192, 193,
 &end
#
#  13  SER   QB   15  ASN   HN  1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 192, 193,
 &end
#
#  13  SER   QB   73 LYS+   QB  1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 192, 193,
 igr2=1151,1152,
 &end
#
#  13  SER   QB   73 LYS+   QD  1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 192, 193,
 igr2=1157,1158,
 &end
#
#  13  SER   QB   73 LYS+   QG  1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 192, 193,
 igr2=1154,1155,
 &end
#
#  14  VAL   HA   14  VAL  QG1  1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 205, 206, 207,
 &end
#
#  14  VAL   HA   14  VAL  QG2  1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 209, 210, 211,
 &end
#
#  14  VAL   HA   15  ASN   HN  2.80 100.00
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 215, r1= 2.30, r2= 2.80, r3=100.00, r4=100.50,  &end
#
#  14  VAL   HA   45 HIS   HE1  1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 709, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  14  VAL   HB   15  ASN   HN  1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 215, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  14  VAL   HN   14  VAL   HA  2.80 100.00
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 201, r1= 2.30, r2= 2.80, r3=100.00, r4=100.50,  &end
#
#  14  VAL   HN   14  VAL  QG1  1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 205, 206, 207,
 &end
#
#  14  VAL   HN   14  VAL  QG2  1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 209, 210, 211,
 &end
#
#  14  VAL   HN   14  VAL  QQG  1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#  14  VAL   HN   15  ASN   HN  1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 215, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  14  VAL  QG1   15  ASN   HN  1.80 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 205, 206, 207,
 &end
#
#  14  VAL  QG1   16  THR   HN  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 205, 206, 207,
 &end
#
#  14  VAL  QG2   15  ASN   HN  1.80 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 209, 210, 211,
 &end
#
#  14  VAL  QG2   16  THR   HN  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 209, 210, 211,
 &end
#
#  14  VAL  QQG   15  ASN   HN  1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#  14  VAL  QQG   15  ASN   QB  1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 205, 206, 207, 209, 210, 211,
 igr2= 219, 220,
 &end
#
#  14  VAL  QQG   16  THR   HN  1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#  14  VAL  QQG   44 ARG+   QD  1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 205, 206, 207, 209, 210, 211,
 igr2= 686, 687,
 &end
#
#  15  ASN   HA   15  ASN HD21  1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 224, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  15  ASN   HA   15  ASN HD22  1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 225, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  15  ASN   HA   15  ASN  QD2  1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 224, 225,
 &end
#
#  15  ASN  HB2   16  THR   HN  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 229, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  15  ASN  HB3   16  THR   HN  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 229, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  15  ASN   HN   15  ASN   QB  1.80 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 219, 220,
 &end
#
#  15  ASN   HN   16  THR  HG1  1.80 5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 239, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  15  ASN   HN   16  THR   HN  1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 229, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  16  THR   HA   16  THR  QG2  1.80 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 235, 236, 237,
 &end
#
#  16  THR   HA   17  THR   HN  1.80 3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 231, 243, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#  16  THR   HA   17  THR  QG2  1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 249, 250, 251,
 &end
#
#  16  THR   HA   71  ASN HD21  1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 231,1128, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  16  THR   HA   71  ASN HD22  1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 231,1129, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  16  THR   HB   17  THR   HN  1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 233, 243, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  16  THR   HB   21  VAL  QG2  1.80 4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 310, 311, 312,
 &end
#
#  16  THR   HB   71  ASN HD21  1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 233,1128, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  16  THR   HB   71  ASN HD22  1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 233,1129, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  16  THR  HG1   71  ASN HD21  1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 239,1128, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  16  THR   HN   16  THR   HB  1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 233, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#  16  THR   HN   16  THR  HG1  1.80 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 239, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#  16  THR   HN   16  THR  QG2  1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 235, 236, 237,
 &end
#
#  16  THR   HN   71  ASN HD21  1.80 5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 229,1128, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  16  THR  QG2   17  THR   HN  1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 235, 236, 237,
 &end
#
#  16  THR  QG2   18  VAL   HA  1.80 5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 235, 236, 237,
 &end
#
#  16  THR  QG2   20 ASP-   HN  1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 235, 236, 237,
 &end
#
#  16  THR  QG2   20 ASP-   QB  1.80 3.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1= 235, 236, 237,
 igr2= 292, 293,
 &end
#
#  16  THR  QG2   21  VAL   HA  1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 235, 236, 237,
 &end
#
#  16  THR  QG2   21  VAL   HB  1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 235, 236, 237,
 &end
#
#  16  THR  QG2   21  VAL   HN  1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 235, 236, 237,
 &end
#
#  16  THR  QG2   21  VAL  QG2  1.80 2.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 235, 236, 237,
 igr2= 310, 311, 312,
 &end
#
#  16  THR  QG2   36  LEU  QD1  1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 235, 236, 237,
 igr2= 553, 554, 555,
 &end
#
#  16  THR  QG2   36  LEU  QD2  1.80 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 235, 236, 237,
 igr2= 557, 558, 559,
 &end
#
#  16  THR  QG2   70  ILE  QD1  1.80 5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
 igr1= 235, 236, 237,
 igr2=1113,1114,1115,
 &end
#
#  16  THR  QG2   70  ILE  QG2  1.80 3.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 235, 236, 237,
 igr2=1106,1107,1108,
 &end
#
#  16  THR  QG2   71  ASN  HB2  1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 235, 236, 237,
 &end
#
#  16  THR  QG2   71  ASN  HB3  1.80 5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1124, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 235, 236, 237,
 &end
#
#  16  THR  QG2   71  ASN HD21  1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1128, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 235, 236, 237,
 &end
#
#  16  THR  QG2   71  ASN HD22  1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 235, 236, 237,
 &end
#
#  17  THR   HA   17  THR  QG2  1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2= 249, 250, 251,
 &end
#
#  17  THR   HA   18  VAL   HB  1.80 5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 261, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  17  THR   HA   18  VAL   HN  1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 257, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  17  THR   HA   36  LEU  QD1  1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 553, 554, 555,
 &end
#
#  17  THR   HN   17  THR  QG2  1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 249, 250, 251,
 &end
#
#  17  THR   HN   20 ASP-  HB2  1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 292, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  17  THR   HN   20 ASP-  HB3  1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 293, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  17  THR   HN   20 ASP-   HN  1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 288, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  17  THR   HN   20 ASP-   QB  1.80 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 292, 293,
 &end
#
#  17  THR   HN   71  ASN HD22  1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 243,1129, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  17  THR  QG2   18  VAL   HN  1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 249, 250, 251,
 &end
#
#  17  THR  QG2   19 GLU-   HN  1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 249, 250, 251,
 &end
#
#  17  THR  QG2   20 ASP-   HN  1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 249, 250, 251,
 &end
#
#  17  THR  QG2   21  VAL  QG2  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 249, 250, 251,
 igr2= 310, 311, 312,
 &end
#
#  18  VAL   HA   18  VAL  QG2  1.80 2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2= 267, 268, 269,
 &end
#
#  18  VAL   HA   21  VAL   HB  1.80 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 304, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  18  VAL   HA   21  VAL  QG2  1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 310, 311, 312,
 &end
#
#  18  VAL   HA   22 LYS+   HN  1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 316, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  18  VAL   HA   34  ALA   QB  1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 521, 522, 523,
 &end
#
#  18  VAL   HA   36  LEU   HG  1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 551, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  18  VAL   HA   36  LEU  QD1  1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 553, 554, 555,
 &end
#
#  18  VAL   HA   36  LEU  QD2  1.80 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 557, 558, 559,
 &end
#
#  18  VAL   HB   19 GLU-   HN  1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 273, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  18  VAL   HB   35  MET   HA  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 529, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  18  VAL   HB   36  LEU   HG  1.80 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 551, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#  18  VAL   HB   36  LEU   HN  1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 544, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  18  VAL   HB   36  LEU   QB  1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 548, 549,
 &end
#
#  18  VAL   HB   36  LEU  QD1  1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 553, 554, 555,
 &end
#
#  18  VAL   HB   36  LEU  QD2  1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 557, 558, 559,
 &end
#
#  18  VAL   HN   18  VAL   HB  1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 261, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#  18  VAL   HN   18  VAL  QG1  1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 263, 264, 265,
 &end
#
#  18  VAL   HN   18  VAL  QG2  1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 267, 268, 269,
 &end
#
#  18  VAL   HN   19 GLU-   HN  1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 273, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#  18  VAL   HN   20 ASP-   HN  1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 288, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  18  VAL   HN   21  VAL   HB  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 304, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  18  VAL   HN   36  LEU  QD1  1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 553, 554, 555,
 &end
#
#  18  VAL   HN   36  LEU  QD2  1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 557, 558, 559,
 &end
#
#  18  VAL  QG1   19 GLU-   HA  1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 263, 264, 265,
 &end
#
#  18  VAL  QG1   19 GLU-  HG2  1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 263, 264, 265,
 &end
#
#  18  VAL  QG1   19 GLU-  HG3  1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 263, 264, 265,
 &end
#
#  18  VAL  QG1   19 GLU-   HN  1.80 3.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 263, 264, 265,
 &end
#
#  18  VAL  QG1   19 GLU-   QG  1.80 3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 263, 264, 265,
 igr2= 280, 281,
 &end
#
#  18  VAL  QG1   34  ALA   QB  1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 263, 264, 265,
 igr2= 521, 522, 523,
 &end
#
#  18  VAL  QG1   36  LEU   HN  1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 263, 264, 265,
 &end
#
#  18  VAL  QG2   19 GLU-   HN  1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 267, 268, 269,
 &end
#
#  18  VAL  QG2   21  VAL   HB  1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 267, 268, 269,
 &end
#
#  18  VAL  QG2   21  VAL   HN  1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 267, 268, 269,
 &end
#
#  18  VAL  QG2   22 LYS+  HB2  1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 267, 268, 269,
 &end
#
#  18  VAL  QG2   22 LYS+   HN  1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 267, 268, 269,
 &end
#
#  18  VAL  QG2   22 LYS+   QD  1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 267, 268, 269,
 igr2= 326, 327,
 &end
#
#  18  VAL  QG2   34  ALA   HN  1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 267, 268, 269,
 &end
#
#  18  VAL  QG2   34  ALA   QB  1.80 2.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 267, 268, 269,
 igr2= 521, 522, 523,
 &end
#
#  18  VAL  QG2   35  MET   HA  1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 267, 268, 269,
 &end
#
#  18  VAL  QG2   35  MET   HN  1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 267, 268, 269,
 &end
#
#  18  VAL  QG2   36  LEU   HG  1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 267, 268, 269,
 &end
#
#  18  VAL  QG2   36  LEU   HN  1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 267, 268, 269,
 &end
#
#  18  VAL  QG2   36  LEU  QD1  1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 267, 268, 269,
 igr2= 553, 554, 555,
 &end
#
#  18  VAL  QG2   36  LEU  QD2  1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 267, 268, 269,
 igr2= 557, 558, 559,
 &end
#
#  19 GLU-   HA   19 GLU-  HG2  1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 280, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  19 GLU-   HA   19 GLU-  HG3  1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 281, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  19 GLU-   HA   19 GLU-   QG  1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 280, 281,
 &end
#
#  19 GLU-   HA   21  VAL   HN  1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 300, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  19 GLU-   HA   22 LYS+  HB2  1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 320, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  19 GLU-   HA   22 LYS+  HB3  1.80 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 321, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  19 GLU-   HA   22 LYS+   HN  1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 316, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  19 GLU-   HA   22 LYS+   QD  1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 326, 327,
 &end
#
#  19 GLU-   HA   22 LYS+   QG  1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 323, 324,
 &end
#
#  19 GLU-   HA   23 HIS    HN  1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 338, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  19 GLU-   HA   34  ALA   QB  1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 521, 522, 523,
 &end
#
#  19 GLU-  HB2   20 ASP-   HN  1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 288, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  19 GLU-  HB3   20 ASP-   HN  1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 288, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  19 GLU-   HN   19 GLU-  HB2  1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 277, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  19 GLU-   HN   19 GLU-  HB3  1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 278, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  19 GLU-   HN   19 GLU-  HG2  1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 280, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  19 GLU-   HN   19 GLU-  HG3  1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 281, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  19 GLU-   HN   19 GLU-   QB  1.80 3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 277, 278,
 &end
#
#  19 GLU-   HN   19 GLU-   QG  1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 280, 281,
 &end
#
#  19 GLU-   HN   20 ASP-   HN  1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 288, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#  19 GLU-   QB   20 ASP-   HN  1.80 3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 277, 278,
 &end
#
#  20 ASP-   HA   23 HIS    HN  1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 338, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  20 ASP-   HA   23 HIS    QB  1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 342, 343,
 &end
#
#  20 ASP-  HB2   21  VAL   HN  1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 300, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  20 ASP-  HB2   71  ASN HD22  1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 292,1129, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  20 ASP-  HB3   21  VAL   HN  1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 300, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  20 ASP-  HB3   71  ASN HD22  1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 293,1129, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  20 ASP-   HN   21  VAL   HN  1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 300, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  20 ASP-   HN   21  VAL  QG2  1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 310, 311, 312,
 &end
#
#  20 ASP-   QB   21  VAL   HN  1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 292, 293,
 &end
#
#  20 ASP-   QB   21  VAL  QG2  1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 292, 293,
 igr2= 310, 311, 312,
 &end
#
#  20 ASP-   QB   70  ILE  QG2  1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 292, 293,
 igr2=1106,1107,1108,
 &end
#
#  20 ASP-   QB   71  ASN HD22  1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 292, 293,
 &end
#
#  21  VAL   HA   21  VAL  QG1  1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 306, 307, 308,
 &end
#
#  21  VAL   HA   21  VAL  QG2  1.80 3.04
 &rst
  ixpk= 0, nxpk= 0, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 310, 311, 312,
 &end
#
#  21  VAL   HA   24  TYR  HB2  1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 359, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  21  VAL   HA   24  TYR  HB3  1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 360, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  21  VAL   HA   24  TYR   HN  1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 355, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  21  VAL   HA   24  TYR   QB  1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 359, 360,
 &end
#
#  21  VAL   HA   25  PHE   HN  1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 376, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  21  VAL   HA   70  ILE  QD1  1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=1113,1114,1115,
 &end
#
#  21  VAL   HA   70  ILE  QG2  1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2=1106,1107,1108,
 &end
#
#  21  VAL   HB   22 LYS+   HA  1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 318, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  21  VAL   HB   22 LYS+   HN  1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 316, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  21  VAL   HB   34  ALA   QB  1.80 5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2= 521, 522, 523,
 &end
#
#  21  VAL   HB   36  LEU  QD1  1.80 5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 553, 554, 555,
 &end
#
#  21  VAL   HB   36  LEU  QD2  1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 557, 558, 559,
 &end
#
#  21  VAL   HB   51  VAL  QG2  1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 805, 806, 807,
 &end
#
#  21  VAL   HN   21  VAL   HB  1.80 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 304, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#  21  VAL   HN   21  VAL  QG2  1.80 2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 310, 311, 312,
 &end
#
#  21  VAL   HN   22 LYS+   HN  1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 316, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  21  VAL  QG1   22 LYS+  HB2  1.80 5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 306, 307, 308,
 &end
#
#  21  VAL  QG1   22 LYS+   HN  1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 306, 307, 308,
 &end
#
#  21  VAL  QG1   25  PHE   QD  1.80 3.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 306, 307, 308,
 igr2= 384, 392,
 &end
#
#  21  VAL  QG1   25  PHE   QE  1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 306, 307, 308,
 igr2= 386, 390,
 &end
#
#  21  VAL  QG1   51  VAL  QG2  1.80 2.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 306, 307, 308,
 igr2= 805, 806, 807,
 &end
#
#  21  VAL  QG1   70  ILE  QD1  1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 306, 307, 308,
 igr2=1113,1114,1115,
 &end
#
#  21  VAL  QG2   22 LYS+   HN  1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 310, 311, 312,
 &end
#
#  21  VAL  QG2   25  PHE   QE  1.80 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 310, 311, 312,
 igr2= 386, 390,
 &end
#
#  21  VAL  QG2   36  LEU  QD2  1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 310, 311, 312,
 igr2= 557, 558, 559,
 &end
#
#  21  VAL  QG2   70  ILE   HB  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1104, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 310, 311, 312,
 &end
#
#  21  VAL  QG2   70  ILE  QD1  1.80 3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 310, 311, 312,
 igr2=1113,1114,1115,
 &end
#
#  21  VAL  QG2   70  ILE  QG2  1.80 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 310, 311, 312,
 igr2=1106,1107,1108,
 &end
#
#  22 LYS+   HA   22 LYS+   QD  1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 326, 327,
 &end
#
#  22 LYS+   HA   22 LYS+   QG  1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 323, 324,
 &end
#
#  22 LYS+   HA   25  PHE  HB2  1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 380, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  22 LYS+   HA   25  PHE   HN  1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 376, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  22 LYS+   HA   25  PHE   QD  1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 384, 392,
 &end
#
#  22 LYS+   HA   26 GLU-   HN  1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 396, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  22 LYS+   HA   31  VAL  QG1  1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 483, 484, 485,
 &end
#
#  22 LYS+   HA   31  VAL  QG2  1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 487, 488, 489,
 &end
#
#  22 LYS+   HA   34  ALA   QB  1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 521, 522, 523,
 &end
#
#  22 LYS+   HA   51  VAL  QG2  1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 805, 806, 807,
 &end
#
#  22 LYS+  HB2   23 HIS    HN  1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 338, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  22 LYS+  HB2   31  VAL  QG2  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 487, 488, 489,
 &end
#
#  22 LYS+  HB2   34  ALA   HN  1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 517, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  22 LYS+  HB2   34  ALA   QB  1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 521, 522, 523,
 &end
#
#  22 LYS+  HB3   23 HIS    HN  1.80 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 338, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  22 LYS+  HB3   31  VAL  QG1  1.80 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2= 483, 484, 485,
 &end
#
#  22 LYS+  HB3   34  ALA   QB  1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 521, 522, 523,
 &end
#
#  22 LYS+   HN   22 LYS+   QG  1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 323, 324,
 &end
#
#  22 LYS+   QD   31  VAL  QG1  1.80 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 326, 327,
 igr2= 483, 484, 485,
 &end
#
#  22 LYS+   QD   31  VAL  QG2  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 326, 327,
 igr2= 487, 488, 489,
 &end
#
#  22 LYS+   QD   34  ALA   QB  1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 326, 327,
 igr2= 521, 522, 523,
 &end
#
#  22 LYS+   QE   31  VAL  QG1  1.80 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 329, 330,
 igr2= 483, 484, 485,
 &end
#
#  22 LYS+   QG   23 HIS    HN  1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 338, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 323, 324,
 &end
#
#  22 LYS+   QG   26 GLU-  HG2  1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 323, 324,
 &end
#
#  22 LYS+   QG   26 GLU-  HG3  1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 323, 324,
 &end
#
#  22 LYS+   QG   26 GLU-   QG  1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 323, 324,
 igr2= 403, 404,
 &end
#
#  22 LYS+   QG   31  VAL   HB  1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 323, 324,
 &end
#
#  22 LYS+   QG   31  VAL  QG1  1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 323, 324,
 igr2= 483, 484, 485,
 &end
#
#  23 HIS    HA   23 HIS   HD2  1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 351, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  23 HIS   HB2   24  TYR   HN  1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 355, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  23 HIS   HB3   24  TYR   HN  1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 355, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  23 HIS    HN   23 HIS   HD2  1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 351, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  23 HIS    HN   24  TYR   HN  1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 355, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  23 HIS    QB   24  TYR   HN  1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 342, 343,
 &end
#
#  24  TYR   HA   27  GLN HE21  1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 423, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  24  TYR   HA   27  GLN HE22  1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 424, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  24  TYR   HA   27  GLN   HN  1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 411, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  24  TYR   HA   27  GLN  QE2  1.80 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 423, 424,
 &end
#
#  24  TYR  HB2   25  PHE   HN  1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 376, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  24  TYR  HB2   70  ILE  QD1  1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1113,1114,1115,
 &end
#
#  24  TYR  HB2   70  ILE  QG2  1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1106,1107,1108,
 &end
#
#  24  TYR  HB3   25  PHE   HN  1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 376, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  24  TYR  HB3   70  ILE  QD1  1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1113,1114,1115,
 &end
#
#  24  TYR  HB3   70  ILE  QG2  1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1106,1107,1108,
 &end
#
#  24  TYR   HN   24  TYR  HB2  1.80 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 359, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  24  TYR   HN   24  TYR  HB3  1.80 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 360, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  24  TYR   HN   25  PHE   HN  1.80 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 376, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  24  TYR   QB   25  PHE   HN  1.80 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 359, 360,
 &end
#
#  24  TYR   QB   25  PHE   QD  1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 359, 360,
 igr2= 384, 392,
 &end
#
#  24  TYR   QB   70  ILE  QD1  1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 359, 360,
 igr2=1113,1114,1115,
 &end
#
#  25  PHE   HA   25  PHE   QD  1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 384, 392,
 &end
#
#  25  PHE   HA   27  GLN   HN  1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 411, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  25  PHE   HA   28  PHE   QD  1.80 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 436, 444,
 &end
#
#  25  PHE   HA   28  PHE   QE  1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 438, 442,
 &end
#
#  25  PHE  HB2   26 GLU-   HN  1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 396, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  25  PHE  HB2   31  VAL  QG2  1.80 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 487, 488, 489,
 &end
#
#  25  PHE  HB2   51  VAL  QG1  1.80 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 801, 802, 803,
 &end
#
#  25  PHE  HB2   51  VAL  QG2  1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 805, 806, 807,
 &end
#
#  25  PHE  HB2   53  PHE   HZ  1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 837, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  25  PHE  HB2   53  PHE   QE  1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 835, 839,
 &end
#
#  25  PHE  HB3   26 GLU-   HN  1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 396, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  25  PHE  HB3   31  VAL  QG2  1.80 3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 487, 488, 489,
 &end
#
#  25  PHE  HB3   51  VAL  QG1  1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 801, 802, 803,
 &end
#
#  25  PHE  HB3   51  VAL  QG2  1.80 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 805, 806, 807,
 &end
#
#  25  PHE  HB3   53  PHE   HZ  1.80 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 837, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  25  PHE  HB3   53  PHE   QE  1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 835, 839,
 &end
#
#  25  PHE   HN   25  PHE  HB2  1.80 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 380, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#  25  PHE   HN   25  PHE  HB3  1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 381, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  25  PHE   HN   25  PHE   QD  1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 384, 392,
 &end
#
#  25  PHE   HN   26 GLU-   HN  1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 396, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  25  PHE   HN   31  VAL  QG2  1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 487, 488, 489,
 &end
#
#  25  PHE   QD   51  VAL  QG1  1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 384, 392,
 igr2= 801, 802, 803,
 &end
#
#  25  PHE   QD   51  VAL  QG2  1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 384, 392,
 igr2= 805, 806, 807,
 &end
#
#  25  PHE   QD   53  PHE   HZ  1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 384, 392,
 &end
#
#  25  PHE   QD   53  PHE   QE  1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 384, 392,
 igr2= 835, 839,
 &end
#
#  25  PHE   QD   62  VAL  QG1  1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1= 384, 392,
 igr2= 976, 977, 978,
 &end
#
#  25  PHE   QD   62  VAL  QG2  1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 384, 392,
 igr2= 980, 981, 982,
 &end
#
#  25  PHE   QD   70  ILE  QD1  1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1= 384, 392,
 igr2=1113,1114,1115,
 &end
#
#  25  PHE   QE   51  VAL  QG2  1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 386, 390,
 igr2= 805, 806, 807,
 &end
#
#  25  PHE   QE   62  VAL  QG1  1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1= 386, 390,
 igr2= 976, 977, 978,
 &end
#
#  25  PHE   QE   62  VAL  QG2  1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 386, 390,
 igr2= 980, 981, 982,
 &end
#
#  25  PHE   QE   68 HIS   HE1  1.80 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 386, 390,
 &end
#
#  25  PHE   QE   70  ILE  QD1  1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 386, 390,
 igr2=1113,1114,1115,
 &end
#
#  25  PHE   QE   75  VAL  QG2  1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 386, 390,
 igr2=1196,1197,1198,
 &end
#
#  26 GLU-   HA   26 GLU-  HG2  1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 403, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  26 GLU-   HA   26 GLU-  HG3  1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 404, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  26 GLU-   HA   26 GLU-   QG  1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 403, 404,
 &end
#
#  26 GLU-   HA   28  PHE   HN  1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 428, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  26 GLU-   HA   29  GLY   HN  1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 448, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#  26 GLU-   HA   31  VAL  QG2  1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 487, 488, 489,
 &end
#
#  26 GLU-  HB2   27  GLN   HN  1.80 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 411, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  26 GLU-  HB3   27  GLN   HN  1.80 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 411, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  26 GLU-  HG2   31  VAL   HN  1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 477, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  26 GLU-  HG2   31  VAL  QG2  1.80 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 487, 488, 489,
 &end
#
#  26 GLU-  HG3   31  VAL   HN  1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 477, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  26 GLU-  HG3   31  VAL  QG2  1.80 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 487, 488, 489,
 &end
#
#  26 GLU-   HN   26 GLU-  HB2  1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 400, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  26 GLU-   HN   26 GLU-  HB3  1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 401, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  26 GLU-   HN   26 GLU-  HG2  1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 403, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  26 GLU-   HN   26 GLU-  HG3  1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 404, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  26 GLU-   HN   26 GLU-   QB  1.80 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2= 400, 401,
 &end
#
#  26 GLU-   HN   26 GLU-   QG  1.80 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 403, 404,
 &end
#
#  26 GLU-   HN   27  GLN   HN  1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 411, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  26 GLU-   HN   31  VAL  QG2  1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 487, 488, 489,
 &end
#
#  26 GLU-   QB   27  GLN   HN  1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 400, 401,
 &end
#
#  26 GLU-   QG   31  VAL   HB  1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 403, 404,
 &end
#
#  26 GLU-   QG   31  VAL   HN  1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 403, 404,
 &end
#
#  26 GLU-   QG   31  VAL  QG1  1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 403, 404,
 igr2= 483, 484, 485,
 &end
#
#  27  GLN   HA   27  GLN  HG2  1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 418, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  27  GLN   HA   27  GLN  HG3  1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 419, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  27  GLN   HA   27  GLN   QG  1.80 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 418, 419,
 &end
#
#  27  GLN  HG2   28  PHE   HN  1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 428, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  27  GLN  HG3   28  PHE   HN  1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 428, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  27  GLN   HN   27  GLN  HG2  1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 418, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#  27  GLN   HN   27  GLN  HG3  1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 419, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#  27  GLN   HN   27  GLN   QB  1.80 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 415, 416,
 &end
#
#  27  GLN   HN   28  PHE   HN  1.80 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 428, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  27  GLN   QB   27  GLN  QE2  1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1= 415, 416,
 igr2= 423, 424,
 &end
#
#  27  GLN   QB   28  PHE   HN  1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 415, 416,
 &end
#
#  27  GLN   QB   28  PHE   QD  1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 415, 416,
 igr2= 436, 444,
 &end
#
#  27  GLN   QG   27  GLN  QE2  1.80 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 418, 419,
 igr2= 423, 424,
 &end
#
#  27  GLN   QG   28  PHE   HN  1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 418, 419,
 &end
#
#  27  GLN   QG   28  PHE   QD  1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 418, 419,
 igr2= 436, 444,
 &end
#
#  28  PHE   HA   28  PHE   QD  1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 436, 444,
 &end
#
#  28  PHE   HA   58  ILE  QD1  1.80 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 911, 912, 913,
 &end
#
#  28  PHE   HA   58  ILE  QG2  1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 904, 905, 906,
 &end
#
#  28  PHE  HB2   29  GLY   HN  1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 448, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  28  PHE  HB2   31  VAL  QG2  1.80 5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2= 487, 488, 489,
 &end
#
#  28  PHE  HB2   53  PHE   HZ  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 837, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  28  PHE  HB2   53  PHE   QD  1.80 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 833, 841,
 &end
#
#  28  PHE  HB2   53  PHE   QE  1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 835, 839,
 &end
#
#  28  PHE  HB2   58  ILE  QD1  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 911, 912, 913,
 &end
#
#  28  PHE  HB2   58  ILE  QG2  1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 904, 905, 906,
 &end
#
#  28  PHE  HB2   62  VAL  QG1  1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 976, 977, 978,
 &end
#
#  28  PHE  HB2   62  VAL  QG2  1.80 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 980, 981, 982,
 &end
#
#  28  PHE  HB3   29  GLY   HN  1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 448, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  28  PHE  HB3   53  PHE   QE  1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 835, 839,
 &end
#
#  28  PHE  HB3   58  ILE  QD1  1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 911, 912, 913,
 &end
#
#  28  PHE  HB3   58  ILE  QG2  1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 904, 905, 906,
 &end
#
#  28  PHE  HB3   62  VAL  QG2  1.80 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 980, 981, 982,
 &end
#
#  28  PHE  HB3   65  ILE  QD1  1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2=1025,1026,1027,
 &end
#
#  28  PHE   HN   28  PHE  HB2  1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 432, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  28  PHE   HN   28  PHE  HB3  1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 433, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  28  PHE   HN   28  PHE   QD  1.80 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 436, 444,
 &end
#
#  28  PHE   HN   28  PHE   QE  1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 438, 442,
 &end
#
#  28  PHE   HN   29  GLY   HN  1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 448, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
#  28  PHE   HN   30  LYS   HN  5.00 100.00
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 455, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50,  &end
#
#  28  PHE   HZ   62  VAL  QG1  1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 976, 977, 978,
 &end
#
#  28  PHE   HZ   65  ILE  QD1  1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1025,1026,1027,
 &end
#
#  28  PHE   HZ   65  ILE  QG2  1.80 5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2=1018,1019,1020,
 &end
#
#  28  PHE   HZ   68 HIS   HE1  1.80 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 440,1077, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  28  PHE   QD   58  ILE  QD1  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 436, 444,
 igr2= 911, 912, 913,
 &end
#
#  28  PHE   QD   58  ILE  QG2  1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 436, 444,
 igr2= 904, 905, 906,
 &end
#
#  28  PHE   QD   61 LYS+   QD  1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 436, 444,
 igr2= 958, 959,
 &end
#
#  28  PHE   QD   62  VAL  QG1  1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 436, 444,
 igr2= 976, 977, 978,
 &end
#
#  28  PHE   QD   62  VAL  QG2  1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 436, 444,
 igr2= 980, 981, 982,
 &end
#
#  28  PHE   QD   65  ILE  QD1  1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 436, 444,
 igr2=1025,1026,1027,
 &end
#
#  28  PHE   QE   62  VAL  QG1  1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 438, 442,
 igr2= 976, 977, 978,
 &end
#
#  28  PHE   QE   62  VAL  QG2  1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 438, 442,
 igr2= 980, 981, 982,
 &end
#
#  28  PHE   QE   65  ILE  QD1  1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 438, 442,
 igr2=1025,1026,1027,
 &end
#
#  28  PHE   QE   65  ILE  QG1  1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 438, 442,
 igr2=1022,1023,
 &end
#
#  29  GLY  HA2   30 LYS+   HN  1.80 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 455, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  29  GLY  HA2   58  ILE  QD1  1.80 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 911, 912, 913,
 &end
#
#  29  GLY  HA2   58  ILE  QG1  1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 908, 909,
 &end
#
#  29  GLY  HA2   58  ILE  QG2  1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 904, 905, 906,
 &end
#
#  29  GLY  HA3   30 LYS+   HN  1.80 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 455, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  29  GLY  HA3   58  ILE  QD1  1.80 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 911, 912, 913,
 &end
#
#  29  GLY  HA3   58  ILE  QG1  1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 908, 909,
 &end
#
#  29  GLY  HA3   58  ILE  QG2  1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 904, 905, 906,
 &end
#
#  29  GLY   HN   30  LYS   HN  2.80 100.00
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 455, r1= 2.30, r2= 2.80, r3=100.00, r4=100.50,  &end
#
#  29  GLY   HN   31  VAL  QG2  1.80 5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 487, 488, 489,
 &end
#
#  29  GLY   HN   53  PHE   QE  1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 835, 839,
 &end
#
#  29  GLY   HN   58  ILE  QD1  1.80 5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2= 911, 912, 913,
 &end
#
#  29  GLY   HN   58  ILE  QG2  1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 904, 905, 906,
 &end
#
#  29  GLY   QA   30 LYS+   HN  1.80 3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
 igr1= 450, 451,
 &end
#
#  29  GLY   QA   53  PHE   QD  1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 450, 451,
 igr2= 833, 841,
 &end
#
#  29  GLY   QA   58  ILE  QG1  1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 450, 451,
 igr2= 908, 909,
 &end
#
#  29  GLY   QA   58  ILE  QG2  1.80 3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 450, 451,
 igr2= 904, 905, 906,
 &end
#
#  30 LYS+   HA   30 LYS+  HG2  1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 462, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  30 LYS+   HA   30 LYS+  HG3  1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 463, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  30 LYS+   HA   31  VAL   HN  1.80 2.85
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 477, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,  &end
#
#  30 LYS+   HA   31  VAL  QG2  1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 487, 488, 489,
 &end
#
#  30 LYS+  HG2   31  VAL   HN  1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 477, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  30 LYS+  HG3   31  VAL   HN  1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 477, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  30 LYS+   HN   30 LYS+  HG2  1.80 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 462, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  30 LYS+   HN   30 LYS+  HG3  1.80 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 463, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  30 LYS+   HN   30 LYS+   QB  1.80 2.94
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr2= 459, 460,
 &end
#
#  30 LYS+   HN   31  VAL   HN  1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 477, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  30 LYS+   HN   31  VAL  QG2  1.80 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 487, 488, 489,
 &end
#
#  30 LYS+   HN   58  ILE  QD1  1.80 5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2= 911, 912, 913,
 &end
#
#  30 LYS+   HN   58  ILE  QG1  1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 908, 909,
 &end
#
#  30 LYS+   HN   58  ILE  QG2  1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 904, 905, 906,
 &end
#
#  30 LYS+   QB   31  VAL   HN  1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 459, 460,
 &end
#
#  30 LYS+   QB   54 GLU-  HG2  1.80 5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 459, 460,
 &end
#
#  30 LYS+   QB   54 GLU-  HG3  1.80 5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 853, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 459, 460,
 &end
#
#  30 LYS+   QB   54 GLU-   HN  1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 459, 460,
 &end
#
#  30 LYS+   QB   54 GLU-   QB  1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 459, 460,
 igr2= 849, 850,
 &end
#
#  30 LYS+   QB   54 GLU-   QG  1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 459, 460,
 igr2= 852, 853,
 &end
#
#  30 LYS+   QG   30 LYS+   QE  1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr1= 462, 463,
 igr2= 468, 469,
 &end
#
#  30 LYS+   QG   31  VAL   HN  1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 462, 463,
 &end
#
#  31  VAL   HA   31  VAL  QG1  1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 483, 484, 485,
 &end
#
#  31  VAL   HA   31  VAL  QG2  1.80 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 487, 488, 489,
 &end
#
#  31  VAL   HA   32 ASP-   HN  1.80 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 493, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#  31  VAL   HA   32 ASP-   QB  1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 497, 498,
 &end
#
#  31  VAL   HA   33 ASP-   HN  1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 505, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  31  VAL   HA   51  VAL  QG1  1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 801, 802, 803,
 &end
#
#  31  VAL   HA   53  PHE   HA  1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 827, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  31  VAL   HA   53  PHE   QD  1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 833, 841,
 &end
#
#  31  VAL   HA   54 GLU-   HN  1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 845, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  31  VAL   HB   51  VAL  QG1  1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 801, 802, 803,
 &end
#
#  31  VAL   HN   31  VAL   HB  1.80 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 481, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  31  VAL   HN   31  VAL  QG1  1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 483, 484, 485,
 &end
#
#  31  VAL   HN   31  VAL  QG2  1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 487, 488, 489,
 &end
#
#  31  VAL  QG1   32 ASP-   HN  1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 483, 484, 485,
 &end
#
#  31  VAL  QG1   32 ASP-   QB  1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 483, 484, 485,
 igr2= 497, 498,
 &end
#
#  31  VAL  QG1   33 ASP-   HN  1.80 3.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 505, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 483, 484, 485,
 &end
#
#  31  VAL  QG1   33 ASP-   QB  1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 483, 484, 485,
 igr2= 509, 510,
 &end
#
#  31  VAL  QG1   34  ALA   HA  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 483, 484, 485,
 &end
#
#  31  VAL  QG1   34  ALA   HN  1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 483, 484, 485,
 &end
#
#  31  VAL  QG1   34  ALA   QB  1.80 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 483, 484, 485,
 igr2= 521, 522, 523,
 &end
#
#  31  VAL  QG1   51  VAL   HA  1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 483, 484, 485,
 &end
#
#  31  VAL  QG1   51  VAL  QG1  1.80 2.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 483, 484, 485,
 igr2= 801, 802, 803,
 &end
#
#  31  VAL  QG1   52  THR   HB  1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 483, 484, 485,
 &end
#
#  31  VAL  QG1   52  THR   HN  1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 811, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 483, 484, 485,
 &end
#
#  31  VAL  QG1   53  PHE   HA  1.80 5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 827, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 483, 484, 485,
 &end
#
#  31  VAL  QG1   53  PHE   QD  1.80 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 483, 484, 485,
 igr2= 833, 841,
 &end
#
#  31  VAL  QG2   32 ASP-   HN  1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 487, 488, 489,
 &end
#
#  31  VAL  QG2   51  VAL  QG1  1.80 3.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 487, 488, 489,
 igr2= 801, 802, 803,
 &end
#
#  31  VAL  QG2   53  PHE   HZ  1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 487, 488, 489,
 &end
#
#  31  VAL  QG2   53  PHE   QD  1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 487, 488, 489,
 igr2= 833, 841,
 &end
#
#  31  VAL  QG2   53  PHE   QE  1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 487, 488, 489,
 igr2= 835, 839,
 &end
#
#  32 ASP-  HB2   33 ASP-   HN  1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 505, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  32 ASP-  HB2   52  THR   HB  1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 815, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  32 ASP-  HB2   52  THR  QG2  1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 817, 818, 819,
 &end
#
#  32 ASP-  HB3   33 ASP-   HN  1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 505, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  32 ASP-  HB3   52  THR   HB  1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 815, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  32 ASP-  HB3   52  THR  QG2  1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 817, 818, 819,
 &end
#
#  32 ASP-   HN   32 ASP-  HB2  1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 497, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  32 ASP-   HN   32 ASP-  HB3  1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 498, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  32 ASP-   HN   32 ASP-   QB  1.80 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 497, 498,
 &end
#
#  32 ASP-   HN   33 ASP-   HN  1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 505, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
#  32 ASP-   HN   52  THR  QG2  1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 817, 818, 819,
 &end
#
#  32 ASP-   HN   53  PHE   HA  1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 827, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  32 ASP-   HN   54 GLU-   HN  1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 845, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  32 ASP-   QB   33 ASP-   HN  1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 505, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 497, 498,
 &end
#
#  32 ASP-   QB   52  THR  QG2  1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 497, 498,
 igr2= 817, 818, 819,
 &end
#
#  33 ASP-   HA   34  ALA   HN  1.80 3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 517, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#  33 ASP-   HA   34  ALA   QB  1.80 5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2= 521, 522, 523,
 &end
#
#  33 ASP-  HB2   34  ALA   HN  1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 517, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  33 ASP-  HB2   52  THR   HB  1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 815, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  33 ASP-  HB3   34  ALA   HN  1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 517, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  33 ASP-  HB3   52  THR   HB  1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 815, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  33 ASP-   HN   33 ASP-  HB2  1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 509, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  33 ASP-   HN   33 ASP-  HB3  1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 510, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  33 ASP-   HN   34  ALA   HA  1.80 5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 519, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  33 ASP-   HN   52  THR   HA  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  33 ASP-   HN   52  THR   HB  1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 815, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  33 ASP-   HN   52  THR   HN  1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 811, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  33 ASP-   HN   53  PHE   HA  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 827, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  33 ASP-   QB   34  ALA   HN  1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 509, 510,
 &end
#
#  33 ASP-   QB   52  THR   HB  1.80 3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1= 509, 510,
 &end
#
#  33 ASP-   QB   52  THR  QG2  1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 509, 510,
 igr2= 817, 818, 819,
 &end
#
#  34  ALA   HA   35  MET   HN  1.80 3.03
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 527, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
#  34  ALA   HA   51  VAL   HA  1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 797, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  34  ALA   HA   51  VAL  QG1  1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 801, 802, 803,
 &end
#
#  34  ALA   HA   51  VAL  QG2  1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 805, 806, 807,
 &end
#
#  34  ALA   HA   52  THR   HN  1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 811, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  34  ALA   HN   34  ALA   QB  1.80 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 521, 522, 523,
 &end
#
#  34  ALA   HN   35  MET   HN  1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 527, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  34  ALA   QB   35  MET   HA  1.80 5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 521, 522, 523,
 &end
#
#  34  ALA   QB   35  MET   HN  1.80 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 521, 522, 523,
 &end
#
#  34  ALA   QB   51  VAL   HA  1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 521, 522, 523,
 &end
#
#  34  ALA   QB   51  VAL  QG1  1.80 3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 521, 522, 523,
 igr2= 801, 802, 803,
 &end
#
#  34  ALA   QB   51  VAL  QG2  1.80 3.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
 igr1= 521, 522, 523,
 igr2= 805, 806, 807,
 &end
#
#  34  ALA   QB   52  THR   HN  1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 811, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 521, 522, 523,
 &end
#
#  35  MET   HA   36  LEU   HN  1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 544, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
#  35  MET   HN   35  MET   QB  1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 531, 532,
 &end
#
#  35  MET   HN   35  MET   QG  1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 534, 535,
 &end
#
#  35  MET   HN   36  LEU  QD2  1.80 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 557, 558, 559,
 &end
#
#  35  MET   HN   51  VAL   HA  1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 797, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  35  MET   QB   36  LEU   HN  1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 531, 532,
 &end
#
#  35  MET   QE   50  PHE   HN  1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 538, 539, 540,
 &end
#
#  35  MET   QE   50  PHE   QD  1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 538, 539, 540,
 igr2= 783, 791,
 &end
#
#  35  MET   QG   36  LEU   HN  1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 534, 535,
 &end
#
#  35  MET   QG   50  PHE   QD  1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 534, 535,
 igr2= 783, 791,
 &end
#
#  35  MET   QG   50  PHE   QE  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 534, 535,
 igr2= 785, 789,
 &end
#
#  36  LEU   HA   36  LEU  QD1  1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 553, 554, 555,
 &end
#
#  36  LEU   HA   36  LEU  QD2  1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 557, 558, 559,
 &end
#
#  36  LEU   HA   37  MET   HN  1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 563, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  36  LEU   HA   49  GLY  HA2  1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 770, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  36  LEU   HA   49  GLY  HA3  1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 771, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  36  LEU   HA   50  PHE   HN  1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 775, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  36  LEU  HB2   37  MET   HN  1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 563, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  36  LEU  HB3   37  MET   HN  1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 563, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  36  LEU   HG   49  GLY   QA  1.80 5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 770, 771,
 &end
#
#  36  LEU   HN   36  LEU   HG  1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 551, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  36  LEU   HN   36  LEU   QB  1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 548, 549,
 &end
#
#  36  LEU   HN   36  LEU  QD1  1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 553, 554, 555,
 &end
#
#  36  LEU   HN   36  LEU  QD2  1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 557, 558, 559,
 &end
#
#  36  LEU   HN   37  MET   HN  1.80 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 563, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  36  LEU   QB   36  LEU  QD2  1.80 2.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr1= 548, 549,
 igr2= 557, 558, 559,
 &end
#
#  36  LEU   QB   37  MET   HN  1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 548, 549,
 &end
#
#  36  LEU   QB   38  PHE   HZ  1.80 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 548, 549,
 &end
#
#  36  LEU   QB   38  PHE   QD  1.80 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 548, 549,
 igr2= 588, 596,
 &end
#
#  36  LEU   QB   38  PHE   QE  1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 548, 549,
 igr2= 590, 594,
 &end
#
#  36  LEU   QB   45 HIS   HE1  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 548, 549,
 &end
#
#  36  LEU   QB   45 HIS    QB  1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 548, 549,
 igr2= 704, 705,
 &end
#
#  36  LEU  QD1   38  PHE   HZ  1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 553, 554, 555,
 &end
#
#  36  LEU  QD1   38  PHE   QE  1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 553, 554, 555,
 igr2= 590, 594,
 &end
#
#  36  LEU  QD1   45 HIS   HD2  1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 713, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 553, 554, 555,
 &end
#
#  36  LEU  QD1   45 HIS    QB  1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 553, 554, 555,
 igr2= 704, 705,
 &end
#
#  36  LEU  QD2   37  MET   HN  1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 557, 558, 559,
 &end
#
#  36  LEU  QD2   49  GLY  HA2  1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 557, 558, 559,
 &end
#
#  36  LEU  QD2   49  GLY  HA3  1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 557, 558, 559,
 &end
#
#  36  LEU  QD2   49  GLY   HN  1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 557, 558, 559,
 &end
#
#  36  LEU  QD2   49  GLY   QA  1.80 3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 557, 558, 559,
 igr2= 770, 771,
 &end
#
#  36  LEU  QD2   50  PHE   HN  1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 557, 558, 559,
 &end
#
#  36  LEU  QQD   45 HIS   HD2  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 713, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 553, 554, 555, 557, 558, 559,
 &end
#
#  37  MET   HA   37  MET   QE  1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 574, 575, 576,
 &end
#
#  37  MET   HA   38  PHE   HN  1.80 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 580, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
#  37  MET  HB2   38  PHE   HN  1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 580, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  37  MET  HB3   38  PHE   HN  1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 580, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  37  MET   HN   37  MET  HB2  1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 567, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  37  MET   HN   37  MET  HB3  1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 568, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  37  MET   HN   37  MET  HG2  1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 570, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  37  MET   HN   37  MET  HG3  1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 571, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  37  MET   HN   37  MET   QB  1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 567, 568,
 &end
#
#  37  MET   HN   37  MET   QG  1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 570, 571,
 &end
#
#  37  MET   HN   46  ARG   HN  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 717, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  37  MET   HN   46 ARG+   HN  1.80 5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 717, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#  37  MET   HN   49  GLY  HA2  1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 770, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  37  MET   HN   49  GLY  HA3  1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 771, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  37  MET   QB   37  MET   QE  1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 567, 568,
 igr2= 574, 575, 576,
 &end
#
#  37  MET   QB   48  PHE   HZ  1.80 5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 567, 568,
 &end
#
#  37  MET   QB   48  PHE   QE  1.80 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 567, 568,
 igr2= 758, 762,
 &end
#
#  37  MET   QE   38  PHE   HN  1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 574, 575, 576,
 &end
#
#  37  MET   QE   48  PHE   QE  1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 574, 575, 576,
 igr2= 758, 762,
 &end
#
#  37  MET   QE   50  PHE   QD  1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 574, 575, 576,
 igr2= 783, 791,
 &end
#
#  37  MET   QE   50  PHE   QE  1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 574, 575, 576,
 igr2= 785, 789,
 &end
#
#  37  MET   QG   48  PHE   HZ  1.80 5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 570, 571,
 &end
#
#  37  MET   QG   48  PHE   QE  1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 570, 571,
 igr2= 758, 762,
 &end
#
#  37  MET   QG   49  GLY   QA  1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 570, 571,
 igr2= 770, 771,
 &end
#
#  37  MET   QG   50  PHE   QD  1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 570, 571,
 igr2= 783, 791,
 &end
#
#  37  MET   QG   50  PHE   QE  1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 570, 571,
 igr2= 785, 789,
 &end
#
#  38  PHE   HA   39 ASP-   HN  1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 600, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  38  PHE   HA   45 HIS    HA  1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 702, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  38  PHE   HA   46 ARG+   HN  1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 717, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  38  PHE  HB2   39 ASP-   HN  1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 600, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  38  PHE  HB3   39 ASP-   HN  1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 600, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  38  PHE   HN   38  PHE  HB2  1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 584, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  38  PHE   HN   38  PHE  HB3  1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 585, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  38  PHE   HN   38  PHE   QB  1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 584, 585,
 &end
#
#  38  PHE   HN   38  PHE   QD  1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 588, 596,
 &end
#
#  38  PHE   QB   39 ASP-   HN  1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 584, 585,
 &end
#
#  38  PHE   QD   38  PHE   HZ  1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 588, 596,
 &end
#
#  38  PHE   QD   39 ASP-   HN  1.80 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 588, 596,
 &end
#
#  38  PHE   QD   46 ARG+   HN  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 588, 596,
 &end
#
#  39 ASP-   HN   39 ASP-  HB2  1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 604, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  39 ASP-   HN   39 ASP-  HB3  1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 605, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  39 ASP-   HN   39 ASP-   QB  1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 604, 605,
 &end
#
#  39 ASP-   HN   40 LYS+   HN  1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 612, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  39 ASP-   HN   44 ARG+   HN  1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 676, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  39 ASP-   QB   44 ARG+   HN  1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 676, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 604, 605,
 &end
#
#  40 LYS+   HA   40 LYS+   QG  1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2= 619, 620,
 &end
#
#  40 LYS+   HA   43  ASN   HN  1.80 5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 662, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#  40 LYS+   HN   40 LYS+   QB  1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 616, 617,
 &end
#
#  40 LYS+   QB   41  THR   HN  1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 634, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 616, 617,
 &end
#
#  41  THR   HA   41  THR  QG2  1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 640, 641, 642,
 &end
#
#  41  THR   HA   43  ASN   HN  1.80 5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 662, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  41  THR   HB   42  THR   HN  1.80 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 638, 648, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  41  THR   HB   43  ASN   HN  1.80 5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 638, 662, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  41  THR   HN   41  THR   HB  1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 638, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  41  THR   HN   41  THR  QG2  1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 634,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 640, 641, 642,
 &end
#
#  41  THR   HN   42  THR   HN  1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 648, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  41  THR   HN   43  ASN   HN  1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 662, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  41  THR  QG2   42  THR   HN  1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 640, 641, 642,
 &end
#
#  42  THR   HA   42  THR  QG2  1.80 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 650,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 654, 655, 656,
 &end
#
#  42  THR   HN   42  THR  QG2  1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 654, 655, 656,
 &end
#
#  42  THR   HN   43  ASN   HA  1.80 5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 648, 664, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  42  THR   HN   43  ASN   HN  1.80 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 648, 662, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#  42  THR  QG2   43  ASN   HN  1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 654, 655, 656,
 &end
#
#  43  ASN   HN   44 ARG+   HN  1.80 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 676, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  44 ARG+   HA   45 HIS    HN  1.80 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 700, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#  44 ARG+  HB2   45 HIS    HN  1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 700, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  44 ARG+  HB3   45 HIS    HN  1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 681, 700, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  44 ARG+   HN   44 ARG+  HB2  1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 680, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  44 ARG+   HN   44 ARG+  HB3  1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 681, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  44 ARG+   HN   44 ARG+  HG2  1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 683, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  44 ARG+   HN   44 ARG+  HG3  1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 684, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  44 ARG+   HN   44 ARG+   QB  1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 676,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 680, 681,
 &end
#
#  44 ARG+   HN   44 ARG+   QG  1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 676,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 683, 684,
 &end
#
#  44 ARG+   QB   44 ARG+   HE  1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 689, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 680, 681,
 &end
#
#  44 ARG+   QB   44 ARG+   QD  1.80 2.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr1= 680, 681,
 igr2= 686, 687,
 &end
#
#  44 ARG+   QB   45 HIS    HA  1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 680, 681,
 &end
#
#  45 HIS    HA   46 ARG+   HA  1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 702, 719, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  45 HIS    HA   46 ARG+   HN  1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 702, 717, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  45 HIS   HB2   46 ARG+   HN  1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 704, 717, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  45 HIS   HB3   46 ARG+   HN  1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 705, 717, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  45 HIS   HE1   47  GLY   HN  1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 709, 741, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  45 HIS   HE1   47  GLY   QA  1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 743, 744,
 &end
#
#  45 HIS    HN   45 HIS    HA  2.70 100.00
 &rst
  ixpk= 0, nxpk= 0, iat= 700, 702, r1= 2.20, r2= 2.70, r3=100.00, r4=100.50,  &end
#
#  45 HIS    HN   45 HIS   HD2  1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 700, 713, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  45 HIS    QB   46 ARG+   HN  1.80 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 704, 705,
 &end
#
#  46  ARG   HA   46  ARG   HN  2.70 100.00
 &rst
  ixpk= 0, nxpk= 0, iat= 719, 717, r1= 2.20, r2= 2.70, r3=100.00, r4=100.50,  &end
#
#  46 ARG+   HA   46 ARG+   QG  1.80 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 724, 725,
 &end
#
#  46 ARG+  HB2   48  PHE   QE  1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 758, 762,
 &end
#
#  46 ARG+  HB3   48  PHE   QE  1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 722,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 758, 762,
 &end
#
#  46 ARG+  HD2   48  PHE   QE  1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 758, 762,
 &end
#
#  46 ARG+  HD3   48  PHE   QE  1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 758, 762,
 &end
#
#  46 ARG+   HE   48  PHE   QE  1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 758, 762,
 &end
#
#  46 ARG+   HN   46 ARG+  HB2  1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 717, 721, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  46 ARG+   HN   46 ARG+  HB3  1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 717, 722, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  46 ARG+   HN   46 ARG+   QB  1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 721, 722,
 &end
#
#  46 ARG+   HN   46 ARG+   QG  1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 724, 725,
 &end
#
#  46 ARG+   HN   47  GLY   HN  1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 717, 741, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  46 ARG+   HN   48  PHE   HN  1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 717, 748, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  46 ARG+   QB   46 ARG+   HE  1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 730, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 721, 722,
 &end
#
#  46 ARG+   QB   46 ARG+   QD  1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 721, 722,
 igr2= 727, 728,
 &end
#
#  46 ARG+   QB   48  PHE   HN  1.80 5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 721, 722,
 &end
#
#  46 ARG+   QB   48  PHE   HZ  1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 721, 722,
 &end
#
#  46 ARG+   QB   48  PHE   QE  1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 721, 722,
 igr2= 758, 762,
 &end
#
#  46 ARG+   QD   48  PHE   HZ  1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 727, 728,
 &end
#
#  47  GLY   HN   48  PHE   HN  1.80 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 748, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  48  PHE   HA   49  GLY   HN  1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 768, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  48  PHE  HB2   49  GLY   HN  1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 752, 768, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  48  PHE  HB3   49  GLY   HN  1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 753, 768, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  48  PHE   HN   48  PHE   QE  1.80 5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 758, 762,
 &end
#
#  48  PHE   QB   49  GLY   HN  1.80 3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr1= 752, 753,
 &end
#
#  48  PHE   QE   50  PHE   HZ  1.80 5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 758, 762,
 &end
#
#  48  PHE   QE   50  PHE   QD  1.80 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 758, 762,
 igr2= 783, 791,
 &end
#
#  48  PHE   QE   50  PHE   QE  1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 758, 762,
 igr2= 785, 789,
 &end
#
#  49  GLY  HA2   50  PHE   QD  1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 783, 791,
 &end
#
#  49  GLY  HA3   50  PHE   QD  1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 783, 791,
 &end
#
#  49  GLY   QA   50  PHE   HN  1.80 3.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 770, 771,
 &end
#
#  49  GLY   QA   50  PHE   QD  1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 770, 771,
 igr2= 783, 791,
 &end
#
#  50  PHE   HA   50  PHE   QD  1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 783, 791,
 &end
#
#  50  PHE   HA   51  VAL   HN  1.80 3.03
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 795, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
#  50  PHE   HA   51  VAL  QG2  1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 805, 806, 807,
 &end
#
#  50  PHE  HB2   51  VAL   HN  1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 795, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  50  PHE  HB3   51  VAL   HN  1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 780, 795, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  50  PHE   HN   50  PHE   QB  1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 779, 780,
 &end
#
#  50  PHE   HN   50  PHE   QD  1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 783, 791,
 &end
#
#  50  PHE   HN   50  PHE   QE  1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 785, 789,
 &end
#
#  50  PHE   HZ   80  ALA   QB  1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1276,1277,1278,
 &end
#
#  50  PHE   QB   51  VAL   HN  1.80 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 779, 780,
 &end
#
#  50  PHE   QD   51  VAL   HN  1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 783, 791,
 &end
#
#  50  PHE   QD   80  ALA   QB  1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 783, 791,
 igr2=1276,1277,1278,
 &end
#
#  50  PHE   QE   80  ALA   QB  1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 785, 789,
 igr2=1276,1277,1278,
 &end
#
#  51  VAL   HA   51  VAL  QG1  1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 801, 802, 803,
 &end
#
#  51  VAL   HA   51  VAL  QG2  1.80 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 805, 806, 807,
 &end
#
#  51  VAL   HA   52  THR   HN  1.80 2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 797, 811, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
#  51  VAL   HB   52  THR   HN  1.80 5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 811, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#  51  VAL   HN   51  VAL   HB  1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 795, 799, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  51  VAL   HN   51  VAL  QG1  1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 801, 802, 803,
 &end
#
#  51  VAL   HN   51  VAL  QG2  1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 805, 806, 807,
 &end
#
#  51  VAL  QG1   52  THR   HA  1.80 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 801, 802, 803,
 &end
#
#  51  VAL  QG1   52  THR   HN  1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 811, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 801, 802, 803,
 &end
#
#  51  VAL  QG1   53  PHE  HB2  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 801, 802, 803,
 &end
#
#  51  VAL  QG1   53  PHE   HZ  1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 801, 802, 803,
 &end
#
#  51  VAL  QG1   53  PHE   QE  1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 801, 802, 803,
 igr2= 835, 839,
 &end
#
#  51  VAL  QG2   52  THR   HN  1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 811, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 805, 806, 807,
 &end
#
#  52  THR   HA   52  THR  QG2  1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 817, 818, 819,
 &end
#
#  52  THR   HA   53  PHE   HN  1.80 3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 813, 825, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#  52  THR   HA   53  PHE   QD  1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 833, 841,
 &end
#
#  52  THR   HA   59  VAL  QG2  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 927, 928, 929,
 &end
#
#  52  THR   HB   53  PHE   HN  1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 815, 825, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  52  THR   HN   52  THR   HB  1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 815, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  52  THR   HN   52  THR  QG2  1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 811,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 817, 818, 819,
 &end
#
#  52  THR  QG2   53  PHE  HB2  1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 817, 818, 819,
 &end
#
#  52  THR  QG2   53  PHE   HN  1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 817, 818, 819,
 &end
#
#  52  THR  QG2   53  PHE   QD  1.80 5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 817, 818, 819,
 igr2= 833, 841,
 &end
#
#  53  PHE   HA   53  PHE   QD  1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 827,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 833, 841,
 &end
#
#  53  PHE   HA   54 GLU-   HN  1.80 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 845, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#  53  PHE   HA   59  VAL  QG2  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 827,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 927, 928, 929,
 &end
#
#  53  PHE  HB2   54 GLU-   HN  1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 845, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  53  PHE  HB2   55  SER   HN  1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 860, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  53  PHE  HB2   58  ILE   HB  1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 902, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  53  PHE  HB2   58  ILE  QG2  1.80 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2= 904, 905, 906,
 &end
#
#  53  PHE  HB2   59  VAL  QG2  1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 927, 928, 929,
 &end
#
#  53  PHE  HB3   54 GLU-   HN  1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 845, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  53  PHE  HB3   55  SER   HN  1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 860, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  53  PHE  HB3   58  ILE  QG2  1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 904, 905, 906,
 &end
#
#  53  PHE  HB3   59  VAL   HN  1.80 5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 917, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  53  PHE  HB3   59  VAL  QG2  1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 927, 928, 929,
 &end
#
#  53  PHE   HN   53  PHE  HB2  1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 829, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  53  PHE   HN   53  PHE  HB3  1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 830, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  53  PHE   HN   53  PHE   QD  1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 833, 841,
 &end
#
#  53  PHE   HN   54 GLU-   HN  1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 845, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  53  PHE   HN   59  VAL  QG2  1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 927, 928, 929,
 &end
#
#  53  PHE   HZ   58  ILE  QG2  1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 904, 905, 906,
 &end
#
#  53  PHE   HZ   59  VAL   HA  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 837, 919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  53  PHE   HZ   62  VAL  QG1  1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 976, 977, 978,
 &end
#
#  53  PHE   HZ   62  VAL  QG2  1.80 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 980, 981, 982,
 &end
#
#  53  PHE   QD   54 GLU-   HN  1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 833, 841,
 &end
#
#  53  PHE   QD   55  SER   HN  1.80 5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 833, 841,
 &end
#
#  53  PHE   QD   58  ILE   HB  1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 902, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 833, 841,
 &end
#
#  53  PHE   QD   58  ILE  QD1  1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 833, 841,
 igr2= 911, 912, 913,
 &end
#
#  53  PHE   QD   58  ILE  QG2  1.80 3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 833, 841,
 igr2= 904, 905, 906,
 &end
#
#  53  PHE   QD   59  VAL   HA  1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 833, 841,
 &end
#
#  53  PHE   QD   59  VAL  QG2  1.80 3.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 833, 841,
 igr2= 927, 928, 929,
 &end
#
#  53  PHE   QD   62  VAL  QG2  1.80 5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1= 833, 841,
 igr2= 980, 981, 982,
 &end
#
#  53  PHE   QE   58  ILE  QG2  1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 835, 839,
 igr2= 904, 905, 906,
 &end
#
#  53  PHE   QE   59  VAL   HA  1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 835, 839,
 &end
#
#  53  PHE   QE   59  VAL  QG2  1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 835, 839,
 igr2= 927, 928, 929,
 &end
#
#  53  PHE   QE   62  VAL  QG1  1.80 3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 835, 839,
 igr2= 976, 977, 978,
 &end
#
#  53  PHE   QE   62  VAL  QG2  1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 835, 839,
 igr2= 980, 981, 982,
 &end
#
#  54 GLU-   HA   54 GLU-   QG  1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 852, 853,
 &end
#
#  54 GLU-   HN   54 GLU-  HG2  1.80 5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 852, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  54 GLU-   HN   54 GLU-  HG3  1.80 5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 853, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  54 GLU-   HN   54 GLU-   QB  1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 849, 850,
 &end
#
#  54 GLU-   HN   54 GLU-   QG  1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 852, 853,
 &end
#
#  54 GLU-   QB   55  SER   HN  1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 849, 850,
 &end
#
#  54 GLU-   QG   55  SER   HN  1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 852, 853,
 &end
#
#  55  SER  HB2   58  ILE  QG1  1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 908, 909,
 &end
#
#  55  SER  HB3   58  ILE  QG1  1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 908, 909,
 &end
#
#  55  SER   HN   55  SER  HB2  1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 860, 864, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  55  SER   HN   55  SER  HB3  1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 860, 865, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  55  SER   HN   55  SER   QB  1.80 3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 860,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 864, 865,
 &end
#
#  55  SER   HN   56  GLU   HN  2.70 100.00
 &rst
  ixpk= 0, nxpk= 0, iat= 860, 871, r1= 2.20, r2= 2.70, r3=100.00, r4=100.50,  &end
#
#  55  SER   HN   58  ILE   HB  1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 860, 902, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  55  SER   HN   58  ILE  QD1  1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 860,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 911, 912, 913,
 &end
#
#  55  SER   QB   57 ASP-   HN  1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 864, 865,
 &end
#
#  55  SER   QB   58  ILE   HB  1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 902, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 864, 865,
 &end
#
#  55  SER   QB   58  ILE   HN  1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 898, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 864, 865,
 &end
#
#  55  SER   QB   58  ILE  QD1  1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 864, 865,
 igr2= 911, 912, 913,
 &end
#
#  55  SER   QB   58  ILE  QG1  1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr1= 864, 865,
 igr2= 908, 909,
 &end
#
#  55  SER   QB   58  ILE  QG2  1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 864, 865,
 igr2= 904, 905, 906,
 &end
#
#  56 GLU-   HA   56 GLU-   QG  1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 878, 879,
 &end
#
#  56 GLU-   HA   58  ILE   HN  1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 898, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  56 GLU-   HA   59  VAL   HB  1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 921, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  56 GLU-   HA   59  VAL   HN  1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 917, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  56 GLU-   HA   59  VAL  QG2  1.80 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 927, 928, 929,
 &end
#
#  56 GLU-   HN   56 GLU-   QB  1.80 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 871,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 875, 876,
 &end
#
#  56 GLU-   HN   56 GLU-   QG  1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 871,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 878, 879,
 &end
#
#  56 GLU-   HN   57 ASP-   HN  1.80 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 886, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  56 GLU-   QB   57 ASP-   HA  1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 875, 876,
 &end
#
#  56 GLU-   QB   57 ASP-   HN  1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 875, 876,
 &end
#
#  56 GLU-   QB   59  VAL  QG2  1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 875, 876,
 igr2= 927, 928, 929,
 &end
#
#  56 GLU-   QG   57 ASP-   HN  1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 878, 879,
 &end
#
#  57 ASP-   HA   58  ILE  QD1  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 911, 912, 913,
 &end
#
#  57 ASP-   HA   60 GLU-   HN  1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 933, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  57 ASP-   HA   60 GLU-   QB  1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 937, 938,
 &end
#
#  57 ASP-   HA   60 GLU-   QG  1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 940, 941,
 &end
#
#  57 ASP-  HB2   58  ILE   HN  1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 898, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  57 ASP-  HB2   58  ILE  QD1  1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2= 911, 912, 913,
 &end
#
#  57 ASP-  HB3   58  ILE   HN  1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 891, 898, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  57 ASP-  HB3   58  ILE  QD1  1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 891,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2= 911, 912, 913,
 &end
#
#  57 ASP-   HN   57 ASP-  HB2  1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 886, 890, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  57 ASP-   HN   57 ASP-  HB3  1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 886, 891, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  57 ASP-   HN   57 ASP-   QB  1.80 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 890, 891,
 &end
#
#  57 ASP-   HN   58  ILE   HN  1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 886, 898, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#  57 ASP-   HN   58  ILE  QD1  1.80 5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 911, 912, 913,
 &end
#
#  57 ASP-   QB   58  ILE  QD1  1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 890, 891,
 igr2= 911, 912, 913,
 &end
#
#  58  ILE   HA   58  ILE  QD1  1.80 2.90
 &rst
  ixpk= 0, nxpk= 0, iat= 900,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 911, 912, 913,
 &end
#
#  58  ILE   HA   58  ILE  QG1  1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 900,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 908, 909,
 &end
#
#  58  ILE   HA   58  ILE  QG2  1.80 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 900,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 904, 905, 906,
 &end
#
#  58  ILE   HA   61 LYS+  HB2  1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 952, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  58  ILE   HA   61 LYS+  HB3  1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 953, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  58  ILE   HA   61 LYS+   HN  1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 948, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  58  ILE   HA   61 LYS+   QB  1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 900,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 952, 953,
 &end
#
#  58  ILE   HA   61 LYS+   QD  1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 900,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 958, 959,
 &end
#
#  58  ILE   HB   58  ILE  QD1  1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 902,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 911, 912, 913,
 &end
#
#  58  ILE   HB   59  VAL   HN  1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 902, 917, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  58  ILE   HB   59  VAL  QG2  1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 902,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 927, 928, 929,
 &end
#
#  58  ILE   HN   58  ILE   HB  1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 902, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#  58  ILE   HN   58  ILE  QD1  1.80 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 898,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 911, 912, 913,
 &end
#
#  58  ILE   HN   58  ILE  QG1  1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 898,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 908, 909,
 &end
#
#  58  ILE   HN   58  ILE  QG2  1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 898,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 904, 905, 906,
 &end
#
#  58  ILE   HN   59  VAL   HN  1.80 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 917, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  58  ILE   HN   59  VAL  QG2  1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 898,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 927, 928, 929,
 &end
#
#  58  ILE  QD1   61 LYS+   HN  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 948, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 911, 912, 913,
 &end
#
#  58  ILE  QD1   61 LYS+   QB  1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 911, 912, 913,
 igr2= 952, 953,
 &end
#
#  58  ILE  QD1   61 LYS+   QD  1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 911, 912, 913,
 igr2= 958, 959,
 &end
#
#  58  ILE  QD1   62  VAL   HN  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 970, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 911, 912, 913,
 &end
#
#  58  ILE  QG1   59  VAL   HN  1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 908, 909,
 &end
#
#  58  ILE  QG1   62  VAL  QG2  1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1= 908, 909,
 igr2= 980, 981, 982,
 &end
#
#  58  ILE  QG2   59  VAL   HN  1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 904, 905, 906,
 &end
#
#  58  ILE  QG2   59  VAL  QG2  1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 904, 905, 906,
 igr2= 927, 928, 929,
 &end
#
#  58  ILE  QG2   61 LYS+   HN  1.80 5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 948, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 904, 905, 906,
 &end
#
#  58  ILE  QG2   61 LYS+   QB  1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 904, 905, 906,
 igr2= 952, 953,
 &end
#
#  58  ILE  QG2   62  VAL   HB  1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 974, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 904, 905, 906,
 &end
#
#  58  ILE  QG2   62  VAL   HN  1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 970, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 904, 905, 906,
 &end
#
#  58  ILE  QG2   62  VAL  QG1  1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 904, 905, 906,
 igr2= 976, 977, 978,
 &end
#
#  58  ILE  QG2   62  VAL  QG2  1.80 3.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
 igr1= 904, 905, 906,
 igr2= 980, 981, 982,
 &end
#
#  59  VAL   HA   53  PHE  HD1  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 833, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  59  VAL   HA   53  PHE  HD2  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 841, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  59  VAL   HA   53  PHE  HE1  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 835, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  59  VAL   HA   53  PHE  HE2  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 839, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  59  VAL   HA   59  VAL  QG1  1.80 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 923, 924, 925,
 &end
#
#  59  VAL   HA   59  VAL  QG2  1.80 3.03
 &rst
  ixpk= 0, nxpk= 0, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 927, 928, 929,
 &end
#
#  59  VAL   HA   62  VAL   HB  1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 974, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  59  VAL   HA   62  VAL   HN  1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 970, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  59  VAL   HA   62  VAL  QG1  1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 976, 977, 978,
 &end
#
#  59  VAL   HA   62  VAL  QG2  1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 980, 981, 982,
 &end
#
#  59  VAL   HA   63  CYS   HN  1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 986, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  59  VAL   HB   60 GLU-   HN  1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 921, 933, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  59  VAL   HB   61 LYS+   HN  1.80 5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 921, 948, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  59  VAL   HN   59  VAL   HB  1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 921, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  59  VAL   HN   59  VAL  QG1  1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 923, 924, 925,
 &end
#
#  59  VAL   HN   59  VAL  QG2  1.80 2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 927, 928, 929,
 &end
#
#  59  VAL   HN   60 GLU-   HN  1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 933, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  59  VAL  QG1   60 GLU-   HA  1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 923, 924, 925,
 &end
#
#  59  VAL  QG1   60 GLU-   HN  1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 923, 924, 925,
 &end
#
#  59  VAL  QG1   63  CYS   HN  1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 923, 924, 925,
 &end
#
#  59  VAL  QG1   79 LYS+   HA  1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1252, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 923, 924, 925,
 &end
#
#  59  VAL  QG1   79 LYS+  HG2  1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1257, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 923, 924, 925,
 &end
#
#  59  VAL  QG1   79 LYS+  HG3  1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 923, 924, 925,
 &end
#
#  59  VAL  QG1   79 LYS+   HN  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1250, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 923, 924, 925,
 &end
#
#  59  VAL  QG1   79 LYS+   QE  1.80 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 923, 924, 925,
 igr2=1263,1264,
 &end
#
#  59  VAL  QG2   60 GLU-   HN  1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 927, 928, 929,
 &end
#
#  60 GLU-   HA   60 GLU-   QG  1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 940, 941,
 &end
#
#  60 GLU-   HA   63  CYS  HB2  1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 935, 990, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  60 GLU-   HA   63  CYS  HB3  1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 935, 991, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  60 GLU-   HA   63  CYS   HN  1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 935, 986, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  60 GLU-   HA   63  CYS   QB  1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 990, 991,
 &end
#
#  60 GLU-   HA   64 GLU-   HN  1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 935, 997, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  60 GLU-   HA   79 LYS+   QE  1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2=1263,1264,
 &end
#
#  60 GLU-   HN   60 GLU-   QB  1.80 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2= 937, 938,
 &end
#
#  60 GLU-   HN   60 GLU-   QG  1.80 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 940, 941,
 &end
#
#  60 GLU-   HN   61 LYS+   HN  1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 933, 948, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  60 GLU-   QB   61 LYS+   HN  1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 948, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 937, 938,
 &end
#
#  60 GLU-   QG   61 LYS+   HN  1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 948, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 940, 941,
 &end
#
#  61 LYS+   HA   61 LYS+  HG2  1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 950, 955, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  61 LYS+   HA   61 LYS+  HG3  1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 950, 956, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  61 LYS+   HA   61 LYS+   QD  1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 950,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 958, 959,
 &end
#
#  61 LYS+   HA   61 LYS+   QG  1.80 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 950,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2= 955, 956,
 &end
#
#  61 LYS+   HA   64 GLU-   HN  1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 950, 997, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  61 LYS+   HA   64 GLU-   QB  1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 950,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=1001,1002,
 &end
#
#  61 LYS+  HB2   62  VAL   HN  1.80 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 952, 970, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  61 LYS+  HB3   62  VAL   HN  1.80 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 970, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  61 LYS+   HN   61 LYS+  HB2  1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 948, 952, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#  61 LYS+   HN   61 LYS+  HB3  1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 948, 953, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#  61 LYS+   HN   61 LYS+  HG2  1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 948, 955, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  61 LYS+   HN   61 LYS+  HG3  1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 948, 956, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  61 LYS+   HN   61 LYS+   QG  1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 948,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2= 955, 956,
 &end
#
#  61 LYS+   HN   62  VAL   HN  1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 948, 970, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  61 LYS+   QB   62  VAL   HN  1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 970, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 952, 953,
 &end
#
#  61 LYS+   QD   62  VAL  QG2  1.80 5.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1= 958, 959,
 igr2= 980, 981, 982,
 &end
#
#  62  VAL   HA   28  PHE  HD1  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 972, 436, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  62  VAL   HA   28  PHE  HD2  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 972, 444, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  62  VAL   HA   28  PHE  HE1  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 972, 438, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  62  VAL   HA   28  PHE  HE2  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 972, 442, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  62  VAL   HA   62  VAL  QG1  1.80 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 976, 977, 978,
 &end
#
#  62  VAL   HA   62  VAL  QG2  1.80 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 980, 981, 982,
 &end
#
#  62  VAL   HA   65  ILE   HB  1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 972,1016, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  62  VAL   HA   65  ILE   HN  1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 972,1012, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  62  VAL   HA   65  ILE  QD1  1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2=1025,1026,1027,
 &end
#
#  62  VAL   HA   65  ILE  QG2  1.80 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1018,1019,1020,
 &end
#
#  62  VAL   HA   68 HIS   HE1  1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 972,1077, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  62  VAL   HA   68 HIS   HE2  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 972,1079, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  62  VAL   HB   63  CYS   HN  1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 974, 986, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  62  VAL   HB   68 HIS   HE1  1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 974,1077, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  62  VAL   HN   62  VAL   HB  1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 970, 974, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  62  VAL   HN   62  VAL  QG1  1.80 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 970,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 976, 977, 978,
 &end
#
#  62  VAL   HN   62  VAL  QG2  1.80 2.88
 &rst
  ixpk= 0, nxpk= 0, iat= 970,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2= 980, 981, 982,
 &end
#
#  62  VAL  QG1   63  CYS   HN  1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 976, 977, 978,
 &end
#
#  62  VAL  QG1   65  ILE   HB  1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 976, 977, 978,
 &end
#
#  62  VAL  QG1   68 HIS   HD2  1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1081, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 976, 977, 978,
 &end
#
#  62  VAL  QG1   68 HIS   HE1  1.80 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 976, 977, 978,
 &end
#
#  62  VAL  QG1   68 HIS   HE2  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 976, 977, 978,
 &end
#
#  62  VAL  QG1   77  CYS  HB2  1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 976, 977, 978,
 &end
#
#  62  VAL  QG1   77  CYS  HB3  1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 976, 977, 978,
 &end
#
#  62  VAL  QG2   63  CYS   HN  1.80 3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 980, 981, 982,
 &end
#
#  62  VAL  QG2   68 HIS   HE1  1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 980, 981, 982,
 &end
#
#  63  CYS   HA   65  ILE   HB  1.80 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 988,1016, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  63  CYS   HA   66 HIS    HN  1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 988,1031, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  63  CYS   HA   77  CYS  HB2  1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 988,1221, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  63  CYS   HA   77  CYS  HB3  1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 988,1222, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  63  CYS  HB2   64 GLU-   HN  1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 990, 997, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  63  CYS  HB3   64 GLU-   HN  1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 991, 997, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  63  CYS   HN   63  CYS  HB2  1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 986, 990, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  63  CYS   HN   63  CYS  HB3  1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 986, 991, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  63  CYS   HN   63  CYS   QB  1.80 3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 990, 991,
 &end
#
#  63  CYS   HN   64 GLU-   HN  1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 986, 997, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  63  CYS   HN   65  ILE   HN  1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 986,1012, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  63  CYS   QB   64 GLU-   HN  1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 990, 991,
 &end
#
#  64 GLU-   HA   64 GLU-  HG2  1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 999,1004, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  64 GLU-   HA   64 GLU-  HG3  1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 999,1005, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  64 GLU-   HA   64 GLU-   QG  1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2=1004,1005,
 &end
#
#  64 GLU-   HN   64 GLU-  HG2  1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 997,1004, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  64 GLU-   HN   64 GLU-  HG3  1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 997,1005, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  64 GLU-   HN   64 GLU-   QB  1.80 2.94
 &rst
  ixpk= 0, nxpk= 0, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr2=1001,1002,
 &end
#
#  64 GLU-   HN   64 GLU-   QG  1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=1004,1005,
 &end
#
#  64 GLU-   HN   65  ILE   HN  1.80 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 997,1012, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  64 GLU-   QB   65  ILE   HN  1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=1001,1002,
 &end
#
#  65  ILE   HA   65  ILE  QD1  1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1014,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1025,1026,1027,
 &end
#
#  65  ILE   HA   65  ILE  QG1  1.80 3.21
 &rst
  ixpk= 0, nxpk= 0, iat=1014,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1022,1023,
 &end
#
#  65  ILE   HA   65  ILE  QG2  1.80 3.03
 &rst
  ixpk= 0, nxpk= 0, iat=1014,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2=1018,1019,1020,
 &end
#
#  65  ILE   HB   65  ILE  QD1  1.80 2.96
 &rst
  ixpk= 0, nxpk= 0, iat=1016,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2=1025,1026,1027,
 &end
#
#  65  ILE   HB   66 HIS    HA  1.80 5.45
 &rst
  ixpk= 0, nxpk= 0, iat=1016,1033, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  65  ILE   HB   66 HIS    HN  1.80 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=1016,1031, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  65  ILE   HB   67  PHE   HN  1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1016,1048, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  65  ILE   HB   68 HIS   HD2  1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1016,1081, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  65  ILE   HB   68 HIS   HE1  1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=1016,1077, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  65  ILE   HB   68 HIS   HE2  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1016,1079, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  65  ILE   HN   65  ILE   HB  1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=1012,1016, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  65  ILE   HN   65  ILE HG12  1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=1012,1022, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  65  ILE   HN   65  ILE HG13  1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=1012,1023, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  65  ILE   HN   65  ILE  QD1  1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=1012,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=1025,1026,1027,
 &end
#
#  65  ILE   HN   65  ILE  QG1  1.80 3.15
 &rst
  ixpk= 0, nxpk= 0, iat=1012,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2=1022,1023,
 &end
#
#  65  ILE   HN   65  ILE  QG2  1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=1012,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2=1018,1019,1020,
 &end
#
#  65  ILE   HN   66 HIS    HN  1.80 3.55
 &rst
  ixpk= 0, nxpk= 0, iat=1012,1031, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  65  ILE  QD1   68 HIS   HE1  1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1=1025,1026,1027,
 &end
#
#  65  ILE  QG1   68 HIS   HE1  1.80 5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1022,1023,
 &end
#
#  65  ILE  QG2   66 HIS    HN  1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=1018,1019,1020,
 &end
#
#  65  ILE  QG2   67  PHE   HN  1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1048, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1018,1019,1020,
 &end
#
#  65  ILE  QG2   68 HIS   HD2  1.80 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1081, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1018,1019,1020,
 &end
#
#  65  ILE  QG2   68 HIS   HE1  1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1=1018,1019,1020,
 &end
#
#  66 HIS    HA   77  CYS   HN  1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1033,1217, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  66 HIS   HB2   67  PHE   HN  1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1048, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  66 HIS   HB3   67  PHE   HN  1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1048, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  66 HIS   HD2   76 GLU-  HG2  1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=1044,1209, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  66 HIS   HD2   76 GLU-  HG3  1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=1044,1210, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  66 HIS   HD2   76 GLU-   QB  1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2=1206,1207,
 &end
#
#  66 HIS   HD2   76 GLU-   QG  1.80 3.48
 &rst
  ixpk= 0, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2=1209,1210,
 &end
#
#  66 HIS   HD2   76  GLU   QG  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1209,1210,
 &end
#
#  66 HIS   HD2   77  CYS   HN  1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1044,1217, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  66 HIS    HN   68 HIS   HE1  1.80 5.09
 &rst
  ixpk= 0, nxpk= 0, iat=1031,1077, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#  66 HIS    HN   68 HIS   HE2  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1031,1079, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  66 HIS    QB   67  PHE   HN  1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1048, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1=1035,1036,
 &end
#
#  67  PHE   HA   67  PHE   QD  1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2=1056,1064,
 &end
#
#  67  PHE   HA   68 HIS   HD2  1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1081, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  67  PHE   HA   68 HIS    HN  1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1068, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
#  67  PHE  HB2   74  MET   QE  1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=1180,1181,1182,
 &end
#
#  67  PHE  HB3   74  MET   QE  1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=1180,1181,1182,
 &end
#
#  67  PHE   HN   67  PHE  HB2  1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1052, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  67  PHE   HN   67  PHE  HB3  1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1053, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  67  PHE   HN   67  PHE   QB  1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=1048,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2=1052,1053,
 &end
#
#  67  PHE   HN   67  PHE   QD  1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1048,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2=1056,1064,
 &end
#
#  67  PHE   QB   68 HIS    HN  1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1=1052,1053,
 &end
#
#  67  PHE   QB   74  MET   QE  1.80 3.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1=1052,1053,
 igr2=1180,1181,1182,
 &end
#
#  67  PHE   QB   74  MET   QG  1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1=1052,1053,
 igr2=1176,1177,
 &end
#
#  67  PHE   QD   68 HIS    HN  1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1056,1064,
 &end
#
#  67  PHE   QD   74  MET   QB  1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1056,1064,
 igr2=1173,1174,
 &end
#
#  67  PHE   QD   74  MET   QE  1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=1056,1064,
 igr2=1180,1181,1182,
 &end
#
#  67  PHE   QD   74  MET   QG  1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1=1056,1064,
 igr2=1176,1177,
 &end
#
#  67  PHE   QE   76  GLU   QB  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1058,1062,
 igr2=1206,1207,
 &end
#
#  68 HIS    HA   69 GLU-   HN  1.80 3.06
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1085, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#  68 HIS   HB2   69 GLU-   HN  1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=1072,1085, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  68 HIS   HB2   75  VAL  QG2  1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1196,1197,1198,
 &end
#
#  68 HIS   HB3   69 GLU-   HN  1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=1073,1085, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  68 HIS   HB3   75  VAL  QG2  1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1196,1197,1198,
 &end
#
#  68 HIS   HD2   75  VAL  QG2  1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1081,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2=1196,1197,1198,
 &end
#
#  68 HIS   HD2   77  CYS   HN  1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1081,1217, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  68 HIS   HD2   77  CYS   QB  1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=1081,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2=1221,1222,
 &end
#
#  68 HIS    HN   68 HIS   HD2  1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1068,1081, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  68 HIS    HN   69  GLU   HN  2.70 100.00
 &rst
  ixpk= 0, nxpk= 0, iat=1068,1085, r1= 2.20, r2= 2.70, r3=100.00, r4=100.50,  &end
#
#  68 HIS    HN   74  MET   QE  1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1180,1181,1182,
 &end
#
#  68 HIS    HN   75  VAL   HN  1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1068,1186, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  68 HIS    HN   75  VAL  QG2  1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1196,1197,1198,
 &end
#
#  68 HIS    QB   69 GLU-   HN  1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1=1072,1073,
 &end
#
#  68 HIS    QB   75  VAL  QG2  1.80 3.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1=1072,1073,
 igr2=1196,1197,1198,
 &end
#
#  69 GLU-  HG2   72  ASN   HA  1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=1092,1135, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  69 GLU-  HG3   72  ASN   HA  1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=1093,1135, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  69 GLU-   HN   69 GLU-   QG  1.80 5.15
 &rst
  ixpk= 0, nxpk= 0, iat=1085,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1092,1093,
 &end
#
#  69 GLU-   HN   74  MET   QE  1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=1085,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=1180,1181,1182,
 &end
#
#  69 GLU-   QG   70  ILE   HN  1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1=1092,1093,
 &end
#
#  69 GLU-   QG   72  ASN   HA  1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1=1092,1093,
 &end
#
#  69 GLU-   QG   72  ASN   HN  1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1=1092,1093,
 &end
#
#  70  ILE   HA   70  ILE HG12  1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1110, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  70  ILE   HA   70  ILE HG13  1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1111, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  70  ILE   HA   70  ILE  QD1  1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1102,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1113,1114,1115,
 &end
#
#  70  ILE   HA   70  ILE  QG1  1.80 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=1102,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=1110,1111,
 &end
#
#  70  ILE   HA   70  ILE  QG2  1.80 3.16
 &rst
  ixpk= 0, nxpk= 0, iat=1102,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=1106,1107,1108,
 &end
#
#  70  ILE   HA   71  ASN   HA  1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  70  ILE   HA   71  ASN   HN  1.80 3.08
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1119, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
#  70  ILE   HB   70  ILE  QD1  1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=1104,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2=1113,1114,1115,
 &end
#
#  70  ILE   HB   75  VAL  QG2  1.80 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=1104,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1196,1197,1198,
 &end
#
#  70  ILE   HN   70  ILE   HB  1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=1100,1104, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  70  ILE   HN   70  ILE HG12  1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1100,1110, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  70  ILE   HN   70  ILE HG13  1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1100,1111, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  70  ILE   HN   70  ILE  QG1  1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1110,1111,
 &end
#
#  70  ILE   HN   70  ILE  QG2  1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1106,1107,1108,
 &end
#
#  70  ILE   HN   73 LYS+   HN  1.80 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=1100,1147, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  70  ILE   HN   73 LYS+   QB  1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1151,1152,
 &end
#
#  70  ILE   HN   74  MET   HN  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1100,1169, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  70  ILE   HN   75  VAL  QG1  1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1192,1193,1194,
 &end
#
#  70  ILE   HN   75  VAL  QG2  1.80 5.17
 &rst
  ixpk= 0, nxpk= 0, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2=1196,1197,1198,
 &end
#
#  70  ILE  QD1   75  VAL  QG2  1.80 3.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1113,1114,1115,
 igr2=1196,1197,1198,
 &end
#
#  70  ILE  QG1   75  VAL  QG2  1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=1110,1111,
 igr2=1196,1197,1198,
 &end
#
#  70  ILE  QG2   70  ILE  QD1  1.80 2.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=1106,1107,1108,
 igr2=1113,1114,1115,
 &end
#
#  70  ILE  QG2   70  ILE  QG1  1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=1106,1107,1108,
 igr2=1110,1111,
 &end
#
#  70  ILE  QG2   71  ASN   HA  1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1=1106,1107,1108,
 &end
#
#  70  ILE  QG2   71  ASN  HB2  1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1106,1107,1108,
 &end
#
#  70  ILE  QG2   71  ASN HD21  1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1128, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1=1106,1107,1108,
 &end
#
#  70  ILE  QG2   71  ASN HD22  1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1106,1107,1108,
 &end
#
#  70  ILE  QG2   71  ASN   HN  1.80 3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1=1106,1107,1108,
 &end
#
#  70  ILE  QG2   72  ASN   HN  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1106,1107,1108,
 &end
#
#  71  ASN   HA   71  ASN HD21  1.80 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=1121,1128, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  71  ASN   HA   72  ASN   HN  1.80 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=1121,1133, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#  71  ASN   HN   72  ASN   HN  1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1133, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  71  ASN   HN   73 LYS+   HN  1.80 4.99
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1147, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  72  ASN   HN   72  ASN   QB  1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=1137,1138,
 &end
#
#  72  ASN   HN   73 LYS+   HN  1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=1133,1147, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  72  ASN   HN   73 LYS+   QB  1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1151,1152,
 &end
#
#  73 LYS+   HA   74  MET   HN  1.80 3.01
 &rst
  ixpk= 0, nxpk= 0, iat=1149,1169, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#  73 LYS+  HD2   74  MET   HN  1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1169, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  73 LYS+  HD3   74  MET   HN  1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=1158,1169, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  73 LYS+   HN   73 LYS+  HB2  1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=1147,1151, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  73 LYS+   HN   73 LYS+  HB3  1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=1147,1152, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  73 LYS+   HN   73 LYS+   QB  1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2=1151,1152,
 &end
#
#  73 LYS+   QB   73 LYS+   QE  1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=1151,1152,
 igr2=1160,1161,
 &end
#
#  73 LYS+   QB   74  MET   HN  1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=1151,1152,
 &end
#
#  73 LYS+   QD   74  MET   HN  1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1157,1158,
 &end
#
#  73 LYS+   QG   73 LYS+  HE2  1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1=1154,1155,
 &end
#
#  73 LYS+   QG   73 LYS+  HE3  1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1=1154,1155,
 &end
#
#  73 LYS+   QG   74  MET   HN  1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1154,1155,
 &end
#
#  74  MET   HA   75  VAL   HN  1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat=1171,1186, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#  74  MET   HA   75  VAL  QG2  1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1196,1197,1198,
 &end
#
#  74  MET   HN   74  MET  HB2  1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1169,1173, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  74  MET   HN   74  MET  HB3  1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1169,1174, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  74  MET   HN   74  MET   QB  1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2=1173,1174,
 &end
#
#  74  MET   HN   74  MET   QG  1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1176,1177,
 &end
#
#  74  MET   HN   75  VAL   HA  1.80 5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1169,1188, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  74  MET   QB   75  VAL   HN  1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=1173,1174,
 &end
#
#  74  MET   QE   75  VAL   HN  1.80 5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1180,1181,1182,
 &end
#
#  74  MET   QG   74  MET   QE  1.80 3.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1176,1177,
 igr2=1180,1181,1182,
 &end
#
#  75  VAL   HA   75  VAL  QG1  1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1192,1193,1194,
 &end
#
#  75  VAL   HA   76 GLU-   HN  1.80 3.49
 &rst
  ixpk= 0, nxpk= 0, iat=1188,1202, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  75  VAL   HB   76 GLU-   HN  1.80 3.58
 &rst
  ixpk= 0, nxpk= 0, iat=1190,1202, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  75  VAL   HN   75  VAL   HB  1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1186,1190, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  75  VAL   HN   75  VAL  QG1  1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1192,1193,1194,
 &end
#
#  75  VAL   HN   75  VAL  QG2  1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1196,1197,1198,
 &end
#
#  75  VAL  QG1   76 GLU-   HN  1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1202, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1192,1193,1194,
 &end
#
#  75  VAL  QG2   76 GLU-   HA  1.80 5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1=1196,1197,1198,
 &end
#
#  75  VAL  QG2   76 GLU-   HN  1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1202, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1=1196,1197,1198,
 &end
#
#  76 GLU-   HA   77  CYS   HN  1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=1204,1217, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#  76 GLU-  HG2   77  CYS   HN  1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1209,1217, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  76 GLU-  HG3   77  CYS   HN  1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1217, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  76 GLU-   HN   76 GLU-  HB2  1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=1202,1206, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  76 GLU-   HN   76 GLU-  HB3  1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=1202,1207, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  76 GLU-   HN   76 GLU-   QB  1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1202,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1206,1207,
 &end
#
#  77  CYS   HA   78 LYS+   HN  1.80 2.96
 &rst
  ixpk= 0, nxpk= 0, iat=1219,1228, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
#  77  CYS   HA   78 LYS+   QG  1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1235,1236,
 &end
#
#  77  CYS  HB2   78 LYS+   HN  1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=1221,1228, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  77  CYS  HB3   78 LYS+   HN  1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=1222,1228, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  77  CYS   HN   77  CYS  HB2  1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1221, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  77  CYS   HN   77  CYS  HB3  1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1222, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  77  CYS   HN   77  CYS   QB  1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=1217,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2=1221,1222,
 &end
#
#  77  CYS   HN   78 LYS+   HN  1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1228, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  77  CYS   QB   78 LYS+   HN  1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1=1221,1222,
 &end
#
#  78 LYS+   HA   79 LYS+   HN  1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=1230,1250, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  78 LYS+  HG2   78 LYS+   QE  1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2=1241,1242,
 &end
#
#  78 LYS+  HG3   78 LYS+   QE  1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1236,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2=1241,1242,
 &end
#
#  78 LYS+   HN   78 LYS+  HG2  1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1228,1235, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  78 LYS+   HN   78 LYS+  HG3  1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1228,1236, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  78 LYS+   HN   78 LYS+   QB  1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=1232,1233,
 &end
#
#  78 LYS+   HN   79 LYS+   HN  1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=1228,1250, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#  78 LYS+   QB   78 LYS+   QE  1.80 3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=1232,1233,
 igr2=1241,1242,
 &end
#
#  78 LYS+   QB   79 LYS+   HN  1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1250, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1=1232,1233,
 &end
#
#  78 LYS+   QG   78 LYS+   QE  1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1=1235,1236,
 igr2=1241,1242,
 &end
#
#  79 LYS+   HA   79 LYS+  HG2  1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=1252,1257, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  79 LYS+   HA   79 LYS+  HG3  1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=1252,1258, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  79 LYS+   HA   80  ALA   HN  1.80 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1252,1272, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  79 LYS+   HA   80  ALA   QB  1.80 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=1252,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2=1276,1277,1278,
 &end
#
#  79 LYS+  HB2   80  ALA   HN  1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=1254,1272, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  79 LYS+  HB3   80  ALA   HN  1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1255,1272, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  79 LYS+  HG2   79 LYS+   QE  1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=1257,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1263,1264,
 &end
#
#  79 LYS+  HG3   79 LYS+   QE  1.80 2.94
 &rst
  ixpk= 0, nxpk= 0, iat=1258,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr2=1263,1264,
 &end
#
#  79 LYS+  HG3   80  ALA   HN  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1272, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  79 LYS+   HN   79 LYS+  HB2  1.80 3.03
 &rst
  ixpk= 0, nxpk= 0, iat=1250,1254, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
#  79 LYS+   HN   79 LYS+  HB3  1.80 3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1250,1255, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  79 LYS+   HN   79 LYS+  HG2  1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1250,1257, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  79 LYS+   HN   79 LYS+  HG3  1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=1250,1258, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  80  ALA   HA   81  GLN   HN  1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1282, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#  80  ALA   HN   80  ALA   QB  1.80 3.07
 &rst
  ixpk= 0, nxpk= 0, iat=1272,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2=1276,1277,1278,
 &end
#
#  80  ALA   QB   81  GLN   HN  1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1282, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=1276,1277,1278,
 &end
#
#  81  GLN   HA   82  PRO  HD2  1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=1284,1300, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  81  GLN   HA   82  PRO  HD3  1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=1284,1301, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  81  GLN   HN   81  GLN   QG  1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1282,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2=1289,1290,
 &end
#
#  81  GLN   QB   82  PRO   QD  1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1286,1287,
 igr2=1300,1301,
 &end
#
#  81  GLN   QG   82  PRO  HD2  1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=1289,1290,
 &end
#
#  81  GLN   QG   82  PRO  HD3  1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1301, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=1289,1290,
 &end
#
#  81  GLN   QG   82  PRO   QD  1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1289,1290,
 igr2=1300,1301,
 &end
#
#  82  PRO  HB2   83 LYS+   HN  1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=1306,1313, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  82  PRO  HB3   83 LYS+   HN  1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=1307,1313, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  82  PRO  HD2   85  VAL  QG1  1.80 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=1356,1357,1358,
 &end
#
#  82  PRO  HD2   85  VAL  QG2  1.80 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=1360,1361,1362,
 &end
#
#  82  PRO  HD3   85  VAL  QG1  1.80 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1301,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=1356,1357,1358,
 &end
#
#  82  PRO  HD3   85  VAL  QG2  1.80 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1301,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=1360,1361,1362,
 &end
#
#  82  PRO   QB   83 LYS+   HN  1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1313, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1306,1307,
 &end
#
#  82  PRO   QB   85  VAL  QQG  1.80 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=1306,1307,
 igr2=1356,1357,1358,1360,1361,1362,
 &end
#
#  82  PRO   QD   85  VAL  QQG  1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1300,1301,
 igr2=1356,1357,1358,1360,1361,1362,
 &end
#
#  82  PRO   QG   85  VAL   HN  1.80 5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1350, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1303,1304,
 &end
#
#  82  PRO   QG   85  VAL  QQG  1.80 3.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1303,1304,
 igr2=1356,1357,1358,1360,1361,1362,
 &end
#
#  83 LYS+   HA   83 LYS+   QG  1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=1315,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=1320,1321,
 &end
#
#  83 LYS+   HA   84 GLU-   HN  1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat=1315,1335, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  83 LYS+   HN   83 LYS+   QB  1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=1313,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1317,1318,
 &end
#
#  83 LYS+   HN   83 LYS+   QG  1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1313,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=1320,1321,
 &end
#
#  83 LYS+   HN   84 GLU-   HN  1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1335, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  83 LYS+   QB   84 GLU-   HN  1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1335, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1317,1318,
 &end
#
#  83 LYS+   QG   83 LYS+   QE  1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=1320,1321,
 igr2=1326,1327,
 &end
#
#  83 LYS+   QG   84 GLU-   HN  1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1335, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1320,1321,
 &end
#
#  84 GLU-   HA   84 GLU-   QG  1.80 3.52
 &rst
  ixpk= 0, nxpk= 0, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2=1342,1343,
 &end
#
#  84 GLU-   HA   85  VAL   HN  1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat=1337,1350, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  84 GLU-   HA   86  MET   HN  1.80 5.04
 &rst
  ixpk= 0, nxpk= 0, iat=1337,1366, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  84 GLU-   HN   84 GLU-  HB2  1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=1335,1339, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  84 GLU-   HN   84 GLU-  HB3  1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=1335,1340, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  84 GLU-   HN   84 GLU-   QB  1.80 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=1335,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2=1339,1340,
 &end
#
#  84 GLU-   HN   84 GLU-   QG  1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=1335,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1342,1343,
 &end
#
#  84 GLU-   HN   85  VAL   HN  1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1335,1350, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  85  VAL   HA   85  VAL  QG1  1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2=1356,1357,1358,
 &end
#
#  85  VAL   HA   85  VAL  QG2  1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2=1360,1361,1362,
 &end
#
#  85  VAL   HA   86  MET   HN  1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=1352,1366, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  85  VAL   HN   85  VAL   HB  1.80 3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1354, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  85  VAL   HN   85  VAL  QG1  1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1356,1357,1358,
 &end
#
#  85  VAL   HN   85  VAL  QG2  1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1360,1361,1362,
 &end
#
#  85  VAL   HN   85  VAL  QQG  1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2=1356,1357,1358,1360,1361,1362,
 &end
#
#  85  VAL   HN   86  MET   HN  1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1366, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  85  VAL   HN   86  MET   QB  1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1370,1371,
 &end
#
#  85  VAL  QG1   86  MET   HN  1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1366, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1356,1357,1358,
 &end
#
#  85  VAL  QG2   86  MET   HN  1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1366, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1360,1361,1362,
 &end
#
#  85  VAL  QQG   86  MET   HN  1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1366, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1356,1357,1358,1360,1361,1362,
 &end
#
#  85  VAL  QQG   86  MET   QB  1.80 5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
 igr1=1356,1357,1358,1360,1361,1362,
 igr2=1370,1371,
 &end
#
#  85  VAL  QQG   86  MET   QG  1.80 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1=1356,1357,1358,1360,1361,1362,
 igr2=1373,1374,
 &end
#
#  86  MET   HA   86  MET   QE  1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1368,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1377,1378,1379,
 &end
#
#  86  MET   HA   87  SER   HN  1.80 3.53
 &rst
  ixpk= 0, nxpk= 0, iat=1368,1383, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  86  MET   HN   86  MET  HB2  1.80 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1370, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  86  MET   HN   86  MET  HB3  1.80 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1371, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  86  MET   HN   86  MET   QB  1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1366,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2=1370,1371,
 &end
#
#  86  MET   HN   86  MET   QG  1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1366,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1373,1374,
 &end
#
#  86  MET   HN   87  SER   HA  1.80 5.15
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1385, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  86  MET   HN   87  SER   HN  1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1383, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  87  SER   HA   88  PRO   QD  1.80 3.55
 &rst
  ixpk= 0, nxpk= 0, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2=1395,1396,
 &end
#
#  87  SER   HN   87  SER   QB  1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1383,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=1387,1388,
 &end
#
#  97   G   H8   14  VAL  QG1  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 205, 206, 207,
 &end
#
#  97   G   H8   14  VAL  QG2  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 209, 210, 211,
 &end
#
#  97   G   H8   97   G  H1'  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1528,1525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  98   U  H1'    8  PHE   QD  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 127, 135,
 &end
#
#  98   U  H1'   98   U  H2'  1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1559,1574, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  98   U   H6   10  GLY   QA  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1562,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 157, 158,
 &end
#
#  98   U   H6   11  GLY   QA  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1562,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 164, 165,
 &end
#
#  98   U   H6   98   U  H1'  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1562,1559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  99   A  H1'   99   A  H2'  1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1607, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  99   A   H2  100   G   Q2  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1601,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1634,1635,
 &end
#
#  99   A   H2   50  PHE   QD  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1601,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 783, 791,
 &end
#
#  99   A   H2   50  PHE   QE  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1601,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 785, 789,
 &end
#
#  99   A   H2   80  ALA   HA  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1601,1274, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  99   A   H2   80  ALA   QB  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1601,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1276,1277,1278,
 &end
#
#  99   A   H2   81  GLN   HN  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1601,1282, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  99   A   H8   99   A  H1'  1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1592,1589, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 100   G  H1'  100   G  H2'  1.80 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1622,1641, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 100   G  H1'   35  MET   QE  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1622,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 538, 539, 540,
 &end
#
# 100   G  H1'   37  MET   QE  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1622,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 574, 575, 576,
 &end
#
# 100   G   H8  100   G  H1'  1.80 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1625,1622, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 100   G   H8   35  MET   QE  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1625,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 538, 539, 540,
 &end
#
# 100   G   H8   35  MET   QG  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1625,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 534, 535,
 &end
#
# 100   G   H8   37  MET   QE  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1625,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 574, 575, 576,
 &end
#
# 100   G   H8   50  PHE   QD  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1625,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 783, 791,
 &end
#
# 100   G   H8   50  PHE   QE  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1625,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 785, 789,
 &end
#
# 100   G   Q2   81  GLN   HN  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1282, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1634,1635,
 &end
#
# 100   G   Q2   83  LYS   HA  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1315, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1634,1635,
 &end
#
# 100   G   Q2   83  LYS   HN  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1313, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1634,1635,
 &end
#
# 100   G   Q2   84  GLU   HN  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1335, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1634,1635,
 &end
#
# 100   G   Q2   86  MET   QE  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1634,1635,
 igr2=1377,1378,1379,
 &end
#
# 100   G   Q2   86  MET   QG  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1634,1635,
 igr2=1373,1374,
 &end
#
# 100   G   Q2    8  PHE   QE  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1634,1635,
 igr2= 129, 133,
 &end
#
# 101   U   H6   35  MET   QE  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1659,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 538, 539, 540,
 &end
#
# 101   U   H6   37  MET   QE  1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1659,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 574, 575, 576,
 &end


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