*HEADER    HYDROLASE                               16-DEC-05   2FEK              
*TITLE     STRUCTURE OF A PROTEIN TYROSINE PHOSPHATASE                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LOW MOLECULAR WEIGHT PROTEIN-TYROSINE-                     
*COMPND   3 PHOSPHATASE WZB;                                                     
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 EC: 3.1.3.48;                                                        
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 STRAIN: K-12;                                                        
*SOURCE   5 GENE: WZB;                                                           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET28A                                    
*KEYWDS    LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE,                    
*KEYWDS   2 ESCHERICHIA COLI, PHOSPHATE BINDING                                  
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    E.LESCOP, C.JIN                                                       
*REVDAT   1   09-MAY-06 2FEK    0                                                


 #   RDC restraints obtained in PEG/hexanol


&align
   ndip=97, dcut=3.0, gigj=97*-3.1631,
   s11=-10, s22=-5, s12=1, s13=-5, s23=-6,

   id(1)=54,   jd(1)=55,  dobs(1)= -4.97, dwt(1)= 1.0,
   id(2)=68,   jd(2)=69,  dobs(2)= -13.02, dwt(2)= 1.0,
   id(3)=87,   jd(3)=88,  dobs(3)= -11.35, dwt(3)= 1.0,
   id(4)=106,   jd(4)=107,  dobs(4)= -18.35, dwt(4)= 1.0,
   id(5)=122,   jd(5)=123,  dobs(5)= -9.53, dwt(5)= 1.0,
   id(6)=138,   jd(6)=139,  dobs(6)= -15.10, dwt(6)= 1.0,
   id(7)=149,   jd(7)=150,  dobs(7)= 2.63, dwt(7)= 1.0,
   id(8)=165,   jd(8)=166,  dobs(8)= -6.50, dwt(8)= 1.0,
   id(9)=172,   jd(9)=173,  dobs(9)= -19.00, dwt(9)= 1.0,
   id(10)=216,   jd(10)=217,  dobs(10)= 1.06, dwt(10)= 1.0,
   id(11)=240,   jd(11)=241,  dobs(11)= 9.48, dwt(11)= 1.0,
   id(12)=265,   jd(12)=266,  dobs(12)= 2.23, dwt(12)= 1.0,
   id(13)=279,   jd(13)=280,  dobs(13)= 6.33, dwt(13)= 1.0,
   id(14)=289,   jd(14)=290,  dobs(14)= 15.00, dwt(14)= 1.0,
   id(15)=366,   jd(15)=367,  dobs(15)= 20.88, dwt(15)= 1.0,
   id(16)=407,   jd(16)=408,  dobs(16)= 8.56, dwt(16)= 1.0,
   id(17)=459,   jd(17)=460,  dobs(17)= -10.03, dwt(17)= 1.0,
   id(18)=493,   jd(18)=494,  dobs(18)= -2.99, dwt(18)= 1.0,
   id(19)=515,   jd(19)=516,  dobs(19)= -15.71, dwt(19)= 1.0,
   id(20)=531,   jd(20)=532,  dobs(20)= -10.95, dwt(20)= 1.0,
   id(21)=546,   jd(21)=547,  dobs(21)= -19.26, dwt(21)= 1.0,
   id(22)=557,   jd(22)=558,  dobs(22)= -15.41, dwt(22)= 1.0,
   id(23)=567,   jd(23)=568,  dobs(23)= -14.20, dwt(23)= 1.0,
   id(24)=574,   jd(24)=575,  dobs(24)= -6.74, dwt(24)= 1.0,
   id(25)=593,   jd(25)=594,  dobs(25)= -5.37, dwt(25)= 1.0,
   id(26)=600,   jd(26)=601,  dobs(26)= 8.82, dwt(26)= 1.0,
   id(27)=610,   jd(27)=611,  dobs(27)= -1.93, dwt(27)= 1.0,
   id(28)=629,   jd(28)=630,  dobs(28)= -6.99, dwt(28)= 1.0,
   id(29)=645,   jd(29)=646,  dobs(29)= 15.25, dwt(29)= 1.0,
   id(30)=652,   jd(30)=653,  dobs(30)= -12.62, dwt(30)= 1.0,
   id(31)=674,   jd(31)=675,  dobs(31)= 17.10, dwt(31)= 1.0,
   id(32)=681,   jd(32)=682,  dobs(32)= -11.80, dwt(32)= 1.0,
   id(33)=691,   jd(33)=692,  dobs(33)= -0.20, dwt(33)= 1.0,
   id(34)=717,   jd(34)=718,  dobs(34)= -6.69, dwt(34)= 1.0,
   id(35)=731,   jd(35)=732,  dobs(35)= -1.82, dwt(35)= 1.0,
   id(36)=771,   jd(36)=772,  dobs(36)= 0.00, dwt(36)= 1.0,
   id(37)=787,   jd(37)=788,  dobs(37)= 1.11, dwt(37)= 1.0,
   id(38)=797,   jd(38)=798,  dobs(38)= 12.31, dwt(38)= 1.0,
   id(39)=807,   jd(39)=808,  dobs(39)= 2.00, dwt(39)= 1.0,
   id(40)=839,   jd(40)=840,  dobs(40)= 22.86, dwt(40)= 1.0,
   id(41)=856,   jd(41)=857,  dobs(41)= 15.96, dwt(41)= 1.0,
   id(42)=886,   jd(42)=887,  dobs(42)= 10.39, dwt(42)= 1.0,
   id(43)=905,   jd(43)=906,  dobs(43)= 2.89, dwt(43)= 1.0,
   id(44)=920,   jd(44)=921,  dobs(44)= 19.00, dwt(44)= 1.0,
   id(45)=944,   jd(45)=945,  dobs(45)= 18.40, dwt(45)= 1.0,
   id(46)=955,   jd(46)=956,  dobs(46)= 15.80, dwt(46)= 1.0,
   id(47)=965,   jd(47)=966,  dobs(47)= -9.68, dwt(47)= 1.0,
   id(48)=989,   jd(48)=990,  dobs(48)= -12.82, dwt(48)= 1.0,
   id(49)=1006,   jd(49)=1007,  dobs(49)= 4.87, dwt(49)= 1.0,
   id(50)=1025,   jd(50)=1026,  dobs(50)= 12.72, dwt(50)= 1.0,
   id(51)=1060,   jd(51)=1061,  dobs(51)= 12.90, dwt(51)= 1.0,
   id(52)=1114,   jd(52)=1115,  dobs(52)= 3.95, dwt(52)= 1.0,
   id(53)=1152,   jd(53)=1153,  dobs(53)= -2.94, dwt(53)= 1.0,
   id(54)=1173,   jd(54)=1174,  dobs(54)= -12.01, dwt(54)= 1.0,
   id(55)=1204,   jd(55)=1205,  dobs(55)= -14.90, dwt(55)= 1.0,
   id(56)=1242,   jd(56)=1243,  dobs(56)= -5.78, dwt(56)= 1.0,
   id(57)=1256,   jd(57)=1257,  dobs(57)= 12.30, dwt(57)= 1.0,
   id(58)=1273,   jd(58)=1274,  dobs(58)= -9.27, dwt(58)= 1.0,
   id(59)=1288,   jd(59)=1289,  dobs(59)= -0.96, dwt(59)= 1.0,
   id(60)=1310,   jd(60)=1311,  dobs(60)= 5.42, dwt(60)= 1.0,
   id(61)=1334,   jd(61)=1335,  dobs(61)= -2.23, dwt(61)= 1.0,
   id(62)=1351,   jd(62)=1352,  dobs(62)= -5.42, dwt(62)= 1.0,
   id(63)=1370,   jd(63)=1371,  dobs(63)= 2.18, dwt(63)= 1.0,
   id(64)=1385,   jd(64)=1386,  dobs(64)= 0.10, dwt(64)= 1.0,
   id(65)=1428,   jd(65)=1429,  dobs(65)= -0.71, dwt(65)= 1.0,
   id(66)=1454,   jd(66)=1455,  dobs(66)= -2.13, dwt(66)= 1.0,
   id(67)=1471,   jd(67)=1472,  dobs(67)= -5.93, dwt(67)= 1.0,
   id(68)=1495,   jd(68)=1496,  dobs(68)= -2.08, dwt(68)= 1.0,
   id(69)=1580,   jd(69)=1581,  dobs(69)= -14.75, dwt(69)= 1.0,
   id(70)=1596,   jd(70)=1597,  dobs(70)= -14.30, dwt(70)= 1.0,
   id(71)=1613,   jd(71)=1614,  dobs(71)= -11.05, dwt(71)= 1.0,
   id(72)=1632,   jd(72)=1633,  dobs(72)= 12.16, dwt(72)= 1.0,
   id(73)=1652,   jd(73)=1653,  dobs(73)= 7.80, dwt(73)= 1.0,
   id(74)=1676,   jd(74)=1677,  dobs(74)= -17.79, dwt(74)= 1.0,
   id(75)=1700,   jd(75)=1701,  dobs(75)= -5.63, dwt(75)= 1.0,
   id(76)=1712,   jd(76)=1713,  dobs(76)= 17.13, dwt(76)= 1.0,
   id(77)=1726,   jd(77)=1727,  dobs(77)= 9.90, dwt(77)= 1.0,
   id(78)=1741,   jd(78)=1742,  dobs(78)= 7.30, dwt(78)= 1.0,
   id(79)=1752,   jd(79)=1753,  dobs(79)= -10.49, dwt(79)= 1.0,
   id(80)=1767,   jd(80)=1768,  dobs(80)= 0.20, dwt(80)= 1.0,
   id(81)=1847,   jd(81)=1848,  dobs(81)= -13.94, dwt(81)= 1.0,
   id(82)=1871,   jd(82)=1872,  dobs(82)= 19.31, dwt(82)= 1.0,
   id(83)=1893,   jd(83)=1894,  dobs(83)= -15.46, dwt(83)= 1.0,
   id(84)=1904,   jd(84)=1905,  dobs(84)= 15.61, dwt(84)= 1.0,
   id(85)=1928,   jd(85)=1929,  dobs(85)= 24.68, dwt(85)= 1.0,
   id(86)=1943,   jd(86)=1944,  dobs(86)= 13.63, dwt(86)= 1.0,
   id(87)=1957,   jd(87)=1958,  dobs(87)= 16.52, dwt(87)= 1.0,
   id(88)=1997,   jd(88)=1998,  dobs(88)= 20.52, dwt(88)= 1.0,
   id(89)=2013,   jd(89)=2014,  dobs(89)= 19.81, dwt(89)= 1.0,
   id(90)=2034,   Jd(90)=2035,  dobs(90)= 22.30, dwt(90)= 1.0,
   id(91)=2086,   jd(91)=2087,  dobs(91)= 21.64, dwt(91)= 1.0,
   id(92)=2101,   jd(92)=2102,  dobs(92)= 21.18, dwt(92)= 1.0,
   id(93)=2136,   jd(93)=2137,  dobs(93)= 21.89, dwt(93)= 1.0,
   id(94)=2146,   jd(94)=2147,  dobs(94)= 17.48, dwt(94)= 1.0,
   id(95)=2187,   jd(95)=2188,  dobs(95)= 26.61, dwt(95)= 1.0,
   id(96)=2211,   jd(96)=2212,  dobs(96)= 20.40, dwt(96)= 1.0,
   id(97)=2238,   jd(97)=2239,  dobs(97)= 23.41, dwt(97)= 1.0,
 &end

********************************************************************
additional restraints not assigned by SANE
********************************************************************
#
#  12 ASN          QD   17 PRO          QD  6.5                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.19, r4= 8.94,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 igr1= 182, 183,
 igr2= 253, 254,
 &end
#
#  12 ASN          HN   17 PRO          QD  7                           
 &rst
  ixpk= 0, nxpk= 0, iat= 173,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 253, 254,
 &end
#
#  12 ASN          QD   34 SER          QB  5                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.30, r4= 7.05,
 igr1= 182, 183,
 igr2= 551, 552,
 &end
#
#  82 MET          HN    9 CYS          HA  5                           
 &rst
  ixpk= 0, nxpk= 0, iat=1257, 141, r1= 0.00, r2= 1.80, r3= 5.00, r4= 5.75,  &end
#
#  42 GLY          HN   43 LYS+          QB  5                           
 &rst
  ixpk= 0, nxpk= 0, iat= 646,  -1, r1= 0.00, r2= 1.80, r3= 5.61, r4= 6.36,
 igr2= 657, 658,
 &end
#
#  42 GLY          HN   64 CYS          HA  5                           
 &rst
  ixpk= 0, nxpk= 0, iat= 646, 947, r1= 0.00, r2= 1.80, r3= 5.00, r4= 5.75,  &end
#
# 119 LYS+          HN   48 THR         MG2  6.5                           
 &rst
  ixpk= 0, nxpk= 0, iat=1872,  -1, r1= 0.00, r2= 1.80, r3= 7.81, r4= 8.56,
 igr2= 724, 725, 726,
 &end
#
# 117 TYR          HN  116 PRO          HA  4.5                           
 &rst
  ixpk= 0, nxpk= 0, iat=1827,1823, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  39 ALA          HN   67 GLN          QG  5.5                           
 &rst
  ixpk= 0, nxpk= 0, iat= 601,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 997, 998,
 &end
#
#  16 SER          HN   15 ARG+          HA  5                           
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 219, r1= 0.00, r2= 1.80, r3= 5.00, r4= 5.75,  &end
#
# 124 PHE          HN  121 ARG+          HA  5                           
 &rst
  ixpk= 0, nxpk= 0, iat=1958,1907, r1= 0.00, r2= 1.80, r3= 5.00, r4= 5.75,  &end
#
# 124 PHE          HN  125 ALA          HA  5.5                           
 &rst
  ixpk= 0, nxpk= 0, iat=1958,1980, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 132 GLU-          HN  130 LEU          QB  6                           
 &rst
  ixpk= 0, nxpk= 0, iat=2087,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=2053,2054,
 &end
#
# 132 GLU-          HN  129 THR          HN  5.5                           
 &rst
  ixpk= 0, nxpk= 0, iat=2087,2035, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  99 GLY          HN  101 VAL          QG  5.5                           
 &rst
  ixpk= 0, nxpk= 0, iat=1552,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#  12 ASN          QD   63 HIS         HE1  4                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 938, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 182, 183,
 &end
#
#   1 MET           N  147 VAL          QG  5                           
 &rst
  ixpk= 0, nxpk= 0, iat=   1,  -1, r1= 0.00, r2= 1.80, r3= 6.74, r4= 7.49,
 igr2=2330,2331,2332,2334,2335,2336,
 &end
#
#   1 MET          HA  147 VAL          QG  5                           
 &rst
  ixpk= 0, nxpk= 0, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 6.74, r4= 7.49,
 igr2=2330,2331,2332,2334,2335,2336,
 &end
#
#  63 HIS          HN   63 HIS          HN  5.5                           
#This appears to be self-referential: ignoring
#
#  62 GLY          QA   61 GLU-          QG  6                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 923, 924,
 igr2= 913, 914,
 &end
#
#  14 CYS          HN   13 ILE          HB  5                           
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 191, r1= 0.00, r2= 1.80, r3= 5.00, r4= 5.75,  &end
#
#  14 CYS          HN   16 SER          HN  4                           
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 241, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  39 ALA          HA   40 LEU          HA  6                           
 &rst
  ixpk= 0, nxpk= 0, iat= 603, 613, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  46 ASP-          HN   14 CYS          HA  5                           
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 208, r1= 0.00, r2= 1.80, r3= 5.00, r4= 5.75,  &end
#
#  49 ALA          HN   14 CYS          HA  5                           
 &rst
  ixpk= 0, nxpk= 0, iat= 732, 208, r1= 0.00, r2= 1.80, r3= 5.00, r4= 5.75,  &end
#
#  10 VAL          HN   86 HIS         HD2  5                           
 &rst
  ixpk= 0, nxpk= 0, iat= 150,1348, r1= 0.00, r2= 1.80, r3= 5.00, r4= 5.75,  &end
#
#  10 VAL          HN   15 ARG+          HE  6.5                           
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 230, r1= 0.00, r2= 1.80, r3= 6.50, r4= 7.25,  &end
#
#   1 MET          QB    2 PHE          QD  6                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=   8,   9,
 igr2=  29,  37,
 &end
#
#   1 MET          QE  146 GLN         QE2  6                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=  15,  16,  17,
 igr2=2319,2320,
 &end
#
#  24 GLN         QE2   21 ARG+          QD  5                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.30, r4= 7.05,
 igr1= 379, 380,
 igr2= 315, 316,
 &end
#
# 146 GLN         QE2  145 GLU-          QG  6                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=2319,2320,
 igr2=2299,2300,
 &end
#
# 110 GLU-          QG   84 LYS+          QE  6                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1734,1735,
 igr2=1302,1303,
 &end
#
# 127 VAL          QG  114 PRO          QG  5.5                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2004,2005,2006,2008,2009,2010,
 igr2=1791,1792,
 &end
#
#  76 TYR          QB    4 ASN         QD2  5.5                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1157,1158,
 igr2=  64,  65,
 &end
#
# 144 ALA          QB  146 GLN         QE2  6                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=2286,2287,2288,
 igr2=2319,2320,
 &end
#
#  64 CYS          HA   44 GLY          QA  6.5                           
 &rst
  ixpk= 0, nxpk= 0, iat= 947,  -1, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
 igr2= 677, 678,
 &end
#
#  61 GLU-          HN   58 LEU          QD  5.5                           
 &rst
  ixpk= 0, nxpk= 0, iat= 906,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#  27 HIS          HN   30 LEU          QD  5.5                           
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 484, 485, 486, 488, 489, 490,
 &end
#
#  24 GLN          HN   24 GLN         QE2  6                           
 &rst
  ixpk= 0, nxpk= 0, iat= 367,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 379, 380,
 &end
#
#  27 HIS          HN   24 GLN         QE2  6                           
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 379, 380,
 &end
#
#  30 LEU          HN   24 GLN         QE2  4                           
 &rst
  ixpk= 0, nxpk= 0, iat= 475,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 379, 380,
 &end
#
#  32 VAL          HN   24 GLN         QE2  4                           
 &rst
  ixpk= 0, nxpk= 0, iat= 516,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 379, 380,
 &end
#
# 137 GLN         QE2  140 GLN          QB  6                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=2183,2184,
 igr2=2226,2227,
 &end
#
# 137 GLN         QE2  140 GLN          QG  5.5                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2183,2184,
 igr2=2229,2230,
 &end
#
# 133 ARG+          HN  128 TYR          QE  6.5                           
 &rst
  ixpk= 0, nxpk= 0, iat=2102,  -1, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
 igr2=2024,2029,
 &end
#
# 133 ARG+          HN  128 TYR          QD  6.5                           
 &rst
  ixpk= 0, nxpk= 0, iat=2102,  -1, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
 igr2=2022,2031,
 &end
#
# 118 ARG+          QD  117 TYR          QD  4.5                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1858,1859,
 igr2=1835,1844,
 &end
#
# 118 ARG+          QD  117 TYR          QE  4.5                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1858,1859,
 igr2=1837,1842,
 &end
#
#  84 LYS+          QD  103 LEU          QD  4.5                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1299,1300,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#   2 PHE          QB  142 LEU          QD  5                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.57, r4= 8.32,
 igr1=  25,  26,
 igr2=2258,2259,2260,2262,2263,2264,
 &end
#
#   2 PHE          QE  142 LEU          QD  5                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.57, r4= 8.32,
 igr1=  31,  35,
 igr2=2258,2259,2260,2262,2263,2264,
 &end
#
# 131 LEU          QD   22 LEU          QD  5                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.09, r4= 9.84,
 igr1=2077,2078,2079,2081,2082,2083,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#  90 LEU          QD   81 THR          HA  5                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1245, r1= 0.00, r2= 1.80, r3= 6.74, r4= 7.49,
 igr1=1419,1420,1421,1423,1424,1425,
 &end
#
#  86 HIS          QB   90 LEU          QD  5                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.57, r4= 8.32,
 igr1=1339,1340,
 igr2=1419,1420,1421,1423,1424,1425,
 &end
#
#  40 LEU          QD  117 TYR          QD  5                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.57, r4= 8.32,
 igr1= 620, 621, 622, 624, 625, 626,
 igr2=1835,1844,
 &end
#
#  30 LEU          QD  142 LEU          QD  5                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.09, r4= 9.84,
 igr1= 484, 485, 486, 488, 489, 490,
 igr2=2258,2259,2260,2262,2263,2264,
 &end
#
#  78 LEU          QD    2 PHE          QB  4.5                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1195,1196,1197,1199,1200,1201,
 igr2=  25,  26,
 &end
#
# 142 LEU          QD   78 LEU          QD  5                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.09, r4= 9.84,
 igr1=2258,2259,2260,2262,2263,2264,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
# 142 LEU          QD    2 PHE          HN  5                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 6.74, r4= 7.49,
 igr1=2258,2259,2260,2262,2263,2264,
 &end
#
#  11 GLY          QA   39 ALA          QB  5                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.74, r4= 7.49,
 igr1= 168, 169,
 igr2= 605, 606, 607,
 &end
#
# 147 VAL          QG    2 PHE          QE  6                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=2330,2331,2332,2334,2335,2336,
 igr2=  31,  35,
 &end
#
# 147 VAL          QG    2 PHE          QD  6                           
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=2330,2331,2332,2334,2335,2336,
 igr2=  29,  37,
 &end
********************************************************************
Nnoesy retrtains
********************************************************************
#
#  68 ILE          HN   36 GLY          HN  5.50   (#    0:10  Preassigned   3.03, 3.50 A)
 &rst
  ixpk= 0, nxpk= 10, iat=1007, 568, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 &end
#
#   8 VAL         MGX   36 GLY          HN  5.50   (#    1:10  Preassigned   3.51, 5.61 A)
 &rst
  ixpk= 1, nxpk= 10, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 129, 130, 131, 133, 134, 135,
 &end
#
#   0 AMB      10-2:2   36 GLY          HN  5.50   (#    2:10      Single   Ambig  )
 &rst
  ixpk= 2, nxpk= 10, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 575, 990,
 &end
#
#  36 GLY         HA-   36 GLY          HN  5.50   (#    3:10  Preassigned   2.38, 2.76 A)
 &rst
  ixpk= 3, nxpk= 10, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 570, 571,
 &end
#
#   0 AMB      10-2:4   36 GLY          HN  4.00   (#    4:10      Single   Ambig  )
 &rst
  ixpk= 4, nxpk= 10, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 992, 560,
 &end
#
#  39 ALA          HA   36 GLY          HN  6.00   (#    5:10  Preassigned   3.96, 4.59 A)
 &rst
  ixpk= 5, nxpk= 10, iat= 603, 568, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  36 GLY         HA+   36 GLY          HN  5.50   (#    7:10  Preassigned   2.38, 2.76 A)
 &rst
  ixpk= 7, nxpk= 10, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 570, 571,
 &end
#
#  35 ALA          MB   36 GLY          HN  4.00   (#    9:10  Preassigned   2.15, 3.17 A)
 &rst
  ixpk= 9, nxpk= 10, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 562, 563, 564,
 &end
#
#  66 ARG          HN   36 GLY          HN  5.50   (#   10:10  Preassigned   2.78, 3.33 A)
 &rst
  ixpk= 10, nxpk= 10, iat= 966, 568, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  66 ARG         HB+   36 GLY          HN  5.50   (#   12:10  Preassigned   4.53, 5.66 A)
 &rst
  ixpk= 12, nxpk= 10, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 970, 971,
 &end
#
#  66 ARG         HG+   36 GLY          HN  5.50   (#   13:10  Preassigned   3.60, 4.71 A)
 &rst
  ixpk= 13, nxpk= 10, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 973, 974,
 &end
#
#  68 ILE         QD1   36 GLY          HN  5.50   (#   14:10      Unique   5.05, 6.58 A)
 &rst
  ixpk= 14, nxpk= 10, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1020,1021,1022,
 &end
#
#  66 ARG          HN   65 ALA          HN  5.50   (#   15:10  Preassigned   4.46, 4.55 A)
 &rst
  ixpk= 15, nxpk= 10, iat= 966, 956, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  64 CYS          HN   65 ALA          HN  5.50   (#   16:10  Preassigned   3.83, 4.16 A)
 &rst
  ixpk= 16, nxpk= 10, iat= 945, 956, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  65 ALA          HA   65 ALA          HN  4.00   (#   17:10  Preassigned   2.81, 2.89 A)
 &rst
  ixpk= 17, nxpk= 10, iat= 958, 956, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  64 CYS         HB-   65 ALA          HN  5.50   (#   18:10  Preassigned   2.73, 3.71 A)
 &rst
  ixpk= 18, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 949, 950,
 &end
#
#  43 LYS          HN   65 ALA          HN  5.50   (#   20:10  Preassigned   3.68, 3.82 A)
 &rst
  ixpk= 20, nxpk= 10, iat= 653, 956, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  63 HIS         HD2   65 ALA          HN  5.50   (#   21:10  Preassigned   3.27, 4.32 A)
 &rst
  ixpk= 21, nxpk= 10, iat= 941, 956, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  64 CYS          HA   65 ALA          HN  2.80   (#   22:10  Preassigned   2.11, 2.21 A)
 &rst
  ixpk= 22, nxpk= 10, iat= 947, 956, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  64 CYS         HB+   65 ALA          HN  5.50   (#   23:10  Preassigned   2.73, 3.71 A)
 &rst
  ixpk= 23, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 949, 950,
 &end
#
#  65 ALA          MB   65 ALA          HN  4.00   (#   24:10  Preassigned   2.27, 2.87 A)
 &rst
  ixpk= 24, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 960, 961, 962,
 &end
#
# 138 TRP         HZ2  138 TRP         HE1  5.50   (#   26:10  Preassigned   2.87, 2.90 A)
 &rst
  ixpk= 26, nxpk= 10, iat=2201,2198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 107 TRP         HD1  138 TRP         HE1  5.50   (#   27:10  Preassigned   2.92, 3.34 A)
 &rst
  ixpk= 27, nxpk= 10, iat=1685,2198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 107 TRP         HE1  138 TRP         HE1  5.50   (#   28:10  Preassigned   2.86, 3.65 A)
 &rst
  ixpk= 28, nxpk= 10, iat=1687,2198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 104 PHE          HA  138 TRP         HE1  4.00   (#   30:10  Preassigned   1.83, 2.27 A)
 &rst
  ixpk= 30, nxpk= 10, iat=1635,2198, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 104 PHE         HB-  138 TRP         HE1  5.50   (#   31:10  Preassigned   4.07, 4.76 A)
 &rst
  ixpk= 31, nxpk= 10, iat=  -1,2198, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1637,1638,
 &end
#
#  80 LEU         MDY  138 TRP         HE1  5.50   (#   32:10  Preassigned   2.73, 4.90 A)
 &rst
  ixpk= 32, nxpk= 10, iat=  -1,2198, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1233,1234,1235,1237,1238,1239,
 &end
#
# 107 TRP          HN  138 TRP         HE1  5.50   (#   33:10  Preassigned   3.82, 4.50 A)
 &rst
  ixpk= 33, nxpk= 10, iat=1677,2198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 138 TRP         HD1  138 TRP         HE1  4.00   (#   34:10  Preassigned   2.52, 2.56 A)
 &rst
  ixpk= 34, nxpk= 10, iat=2196,2198, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 134 SER          HA  138 TRP         HE1  7.00   (#   35:10  Preassigned   4.69, 5.56 A)
 &rst
  ixpk= 35, nxpk= 10, iat=2128,2198, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
# 106 HIS         HB-  138 TRP         HE1  5.50   (#   36:10  Preassigned   2.55, 4.22 A)
 &rst
  ixpk= 36, nxpk= 10, iat=  -1,2198, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1664,1665,
 &end
#
# 134 SER         HB+  138 TRP         HE1  7.00   (#   37:10  Preassigned   3.14, 4.77 A)
 &rst
  ixpk= 37, nxpk= 10, iat=  -1,2198, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=2130,2131,
 &end
#
# 106 HIS         HB+  138 TRP         HE1  5.50   (#   39:10  Preassigned   2.55, 4.22 A)
 &rst
  ixpk= 39, nxpk= 10, iat=  -1,2198, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1664,1665,
 &end
#
#  80 LEU         MDX  138 TRP         HE1  5.50   (#   40:10  Preassigned   2.73, 4.90 A)
 &rst
  ixpk= 40, nxpk= 10, iat=  -1,2198, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1233,1234,1235,1237,1238,1239,
 &end
#
# 106 HIS          HN  138 TRP         HE1  5.50   (#   41:10  Preassigned   2.93, 3.83 A)
 &rst
  ixpk= 41, nxpk= 10, iat=1660,2198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 106 HIS         HD2  138 TRP         HE1  5.50   (#   42:10  Preassigned   4.69, 5.27 A)
 &rst
  ixpk= 42, nxpk= 10, iat=1673,2198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 103 LEU         HB-  138 TRP         HE1  7.00   (#   43:10  Preassigned   4.60, 6.13 A)
 &rst
  ixpk= 43, nxpk= 10, iat=  -1,2198, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1618,1619,
 &end
#
# 102 MET          ME  138 TRP         HE1  7.00   (#   44:10  Preassigned   4.03, 6.80 A)
 &rst
  ixpk= 44, nxpk= 10, iat=  -1,2198, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1608,1609,1610,
 &end
#
#  80 LEU          HG  138 TRP         HE1  5.50   (#   45:10  Preassigned   3.28, 4.43 A)
 &rst
  ixpk= 45, nxpk= 10, iat=1231,2198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 105 GLY          HN  104 PHE          HN  5.50   (#   46:10  Preassigned   2.63, 2.86 A)
 &rst
  ixpk= 46, nxpk= 10, iat=1653,1633, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 103 LEU          HN  104 PHE          HN  7.00   (#   47:10  Preassigned   4.36, 4.52 A)
 &rst
  ixpk= 47, nxpk= 10, iat=1614,1633, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  81 THR          HN  104 PHE          HN  5.50   (#   48:10  Preassigned   2.86, 3.13 A)
 &rst
  ixpk= 48, nxpk= 10, iat=1243,1633, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB     10-2:49  104 PHE          HN  5.50   (#   49:10      Single   Ambig  )
 &rst
  ixpk= 49, nxpk= 10, iat=  -1,1633, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1245,1226,
 &end
#
#  82 MET          HA  104 PHE          HN  5.50   (#   50:10  Preassigned   2.65, 2.96 A)
 &rst
  ixpk= 50, nxpk= 10, iat=1259,1633, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 103 LEU          HA  104 PHE          HN  4.00   (#   51:10  Preassigned   2.17, 2.24 A)
 &rst
  ixpk= 51, nxpk= 10, iat=1616,1633, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 104 PHE         HB-  104 PHE          HN  4.00   (#   52:10  Preassigned   2.07, 2.80 A)
 &rst
  ixpk= 52, nxpk= 10, iat=  -1,1633, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1637,1638,
 &end
#
# 103 LEU         HB-  104 PHE          HN  5.50   (#   53:10  Preassigned   2.64, 4.14 A)
 &rst
  ixpk= 53, nxpk= 10, iat=  -1,1633, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1618,1619,
 &end
#
# 103 LEU         MDX  104 PHE          HN  5.50   (#   55:10  Preassigned   2.25, 4.61 A)
 &rst
  ixpk= 55, nxpk= 10, iat=  -1,1633, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
# 103 LEU         HB+  104 PHE          HN  5.50   (#   56:10  Preassigned   2.64, 4.14 A)
 &rst
  ixpk= 56, nxpk= 10, iat=  -1,1633, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1618,1619,
 &end
#
# 104 PHE          HD  104 PHE          HN  5.50   (#   57:10  Preassigned   2.17, 4.04 A)
 &rst
  ixpk= 57, nxpk= 10, iat=  -1,1633, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1641,1649,
 &end
#
# 104 PHE          HA  104 PHE          HN  5.50   (#   59:10  Preassigned   2.69, 2.80 A)
 &rst
  ixpk= 59, nxpk= 10, iat=1635,1633, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 104 PHE         HB+  104 PHE          HN  4.00   (#   60:10  Preassigned   2.07, 2.80 A)
 &rst
  ixpk= 60, nxpk= 10, iat=  -1,1633, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1637,1638,
 &end
#
# 103 LEU         MDY  104 PHE          HN  5.50   (#   61:10  Preassigned   2.25, 4.61 A)
 &rst
  ixpk= 61, nxpk= 10, iat=  -1,1633, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
#  61 GLU          HN   60 LEU          HN  5.50   (#   62:10  Preassigned   2.31, 3.06 A)
 &rst
  ixpk= 62, nxpk= 10, iat= 906, 887, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB     10-2:63   60 LEU          HN  4.00   (#   63:10      Single   Ambig  )
 &rst
  ixpk= 63, nxpk= 10, iat=  -1, 887, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 878, 889,
 &end
#
#  58 LEU         MDY   60 LEU          HN  5.50   (#   64:10  Preassigned   2.86, 6.75 A)
 &rst
  ixpk= 64, nxpk= 10, iat=  -1, 887, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
#  59 SER          HN   60 LEU          HN  5.50   (#   65:10  Preassigned   2.92, 4.24 A)
 &rst
  ixpk= 65, nxpk= 10, iat= 876, 887, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB     10-2:67   60 LEU          HN  5.50   (#   67:10      Single   Ambig  )
 &rst
  ixpk= 67, nxpk= 10, iat=  -1, 887, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 800, 908,
 &end
#
#   0 AMB     10-2:68   60 LEU          HN  4.00   (#   68:10      Single   Ambig  )
 &rst
  ixpk= 68, nxpk= 10, iat=  -1, 887, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 880, 881, 880, 881,
 &end
#
#  50 ILE          HA   60 LEU          HN  6.00   (#   69:10  Preassigned   3.28, 4.25 A)
 &rst
  ixpk= 69, nxpk= 10, iat= 744, 887, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   0 AMB     10-2:70   60 LEU          HN  5.50   (#   70:10      Single   Ambig  )
 &rst
  ixpk= 70, nxpk= 10, iat=  -1, 887, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 913, 914, 913, 914,
 &end
#
#   0 AMB     10-2:71   60 LEU          HN  5.50   (#   71:10      Single   Ambig  )
 &rst
  ixpk= 71, nxpk= 10, iat=  -1, 887, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 861, 862, 312, 313,
 &end
#
#  60 LEU         HB-   60 LEU          HN  5.50   (#   73:10  Preassigned   2.18, 2.92 A)
 &rst
  ixpk= 73, nxpk= 10, iat=  -1, 887, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 891, 892,
 &end
#
#  60 LEU         HB+   60 LEU          HN  4.00   (#   74:10  Preassigned   2.18, 2.92 A)
 &rst
  ixpk= 74, nxpk= 10, iat=  -1, 887, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 891, 892,
 &end
#
#  50 ILE         QG2   60 LEU          HN  5.50   (#   75:10  Preassigned   3.14, 5.24 A)
 &rst
  ixpk= 75, nxpk= 10, iat=  -1, 887, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 748, 749, 750,
 &end
#
#  60 LEU         MDY   60 LEU          HN  5.50   (#   76:10  Preassigned   2.08, 4.68 A)
 &rst
  ixpk= 76, nxpk= 10, iat=  -1, 887, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 896, 897, 898, 900, 901, 902,
 &end
#
#   5 ILE          HN    6 LEU          HN  6.00   (#   77:10  Preassigned   4.21, 4.47 A)
 &rst
  ixpk= 77, nxpk= 10, iat=  69,  88, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   0 AMB     10-2:78    6 LEU          HN  5.50   (#   78:10      Single   Ambig  )
 &rst
  ixpk= 78, nxpk= 10, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1224, 107,
 &end
#
#   0 AMB     10-2:79    6 LEU          HN  5.50   (#   79:10      Single   Ambig  )
 &rst
  ixpk= 79, nxpk= 10, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 532,1205,
 &end
#
#  76 TYR          HD    6 LEU          HN  5.50   (#   80:10  Preassigned   3.86, 5.45 A)
 &rst
  ixpk= 80, nxpk= 10, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1161,1170,
 &end
#
#  79 ILE          HA    6 LEU          HN  4.00   (#   81:10  Preassigned   2.64, 2.84 A)
 &rst
  ixpk= 81, nxpk= 10, iat=1207,  88, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   5 ILE          HA    6 LEU          HN  2.80   (#   82:10  Preassigned   2.20, 2.28 A)
 &rst
  ixpk= 82, nxpk= 10, iat=  71,  88, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   6 LEU         HB-    6 LEU          HN  4.00   (#   83:10  Preassigned   2.51, 2.85 A)
 &rst
  ixpk= 83, nxpk= 10, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=  92,  93,
 &end
#
#  79 ILE        HG1-    6 LEU          HN  5.50   (#   84:10  Preassigned   3.15, 5.10 A)
 &rst
  ixpk= 84, nxpk= 10, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1215,1216,
 &end
#
#   0 AMB     10-2:85    6 LEU          HN  5.50   (#   85:10      Single   Ambig  )
 &rst
  ixpk= 85, nxpk= 10, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1218,1219,1220,  95,
 &end
#
#  79 ILE         QG2    6 LEU          HN  5.50   (#   86:10  Preassigned   4.04, 5.57 A)
 &rst
  ixpk= 86, nxpk= 10, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1211,1212,1213,
 &end
#
#   5 ILE         QG2    6 LEU          HN  4.00   (#   87:10  Preassigned   2.47, 3.29 A)
 &rst
  ixpk= 87, nxpk= 10, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=  75,  76,  77,
 &end
#
#   6 LEU         MDX    6 LEU          HN  5.50   (#   88:10  Preassigned   4.82, 5.50 A)
 &rst
  ixpk= 88, nxpk= 10, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  97,  98,  99, 101, 102, 103,
 &end
#
#   0 AMB     10-2:89    6 LEU          HN  5.50   (#   89:10      Single   Ambig  )
 &rst
  ixpk= 89, nxpk= 10, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1233,1234,1235,1237,1238,1239,  97,  98,  99, 101,
       102, 103,
 &end
#
#  78 LEU          HN    6 LEU          HN  5.50   (#   90:10  Preassigned   3.22, 3.64 A)
 &rst
  ixpk= 90, nxpk= 10, iat=1186,  88, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   6 LEU          HA    6 LEU          HN  5.50   (#   91:10  Preassigned   2.95, 2.96 A)
 &rst
  ixpk= 91, nxpk= 10, iat=  90,  88, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  76 TYR         HB-    6 LEU          HN  5.50   (#   92:10  Preassigned   3.23, 4.20 A)
 &rst
  ixpk= 92, nxpk= 10, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1157,1158,
 &end
#
#  76 TYR         HB+    6 LEU          HN  5.50   (#   93:10  Preassigned   3.23, 4.20 A)
 &rst
  ixpk= 93, nxpk= 10, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1157,1158,
 &end
#
#   5 ILE          HB    6 LEU          HN  6.00   (#   94:10  Preassigned   3.84, 4.06 A)
 &rst
  ixpk= 94, nxpk= 10, iat=  73,  88, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  79 ILE        HG1+    6 LEU          HN  5.50   (#   95:10  Preassigned   3.15, 5.10 A)
 &rst
  ixpk= 95, nxpk= 10, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1215,1216,
 &end
#
#   6 LEU         HB+    6 LEU          HN  5.50   (#   96:10  Preassigned   2.51, 2.85 A)
 &rst
  ixpk= 96, nxpk= 10, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  92,  93,
 &end
#
#   0 AMB     10-2:97   68 ILE          HN  5.50   (#   97:10      Single   Ambig  )
 &rst
  ixpk= 97, nxpk= 10, iat=  -1,1007, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 990, 575,
 &end
#
#  67 GLN        HE2+   68 ILE          HN  5.50   (#   98:10  Preassigned   2.83, 4.30 A)
 &rst
  ixpk= 98, nxpk= 10, iat=  -1,1007, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1002,1003,
 &end
#
#  68 ILE          HA   68 ILE          HN  5.50   (#   99:10  Preassigned   2.81, 2.87 A)
 &rst
  ixpk= 99, nxpk= 10, iat=1009,1007, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  67 GLN         HG-   68 ILE          HN  5.50   (#   100:10  Preassigned   2.33, 3.64 A)
 &rst
  ixpk= 100, nxpk= 10, iat=  -1,1007, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 997, 998,
 &end
#
#  35 ALA          MB   68 ILE          HN  5.50   (#   101:10  Preassigned   3.17, 4.45 A)
 &rst
  ixpk= 101, nxpk= 10, iat=  -1,1007, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 562, 563, 564,
 &end
#
#  39 ALA          MB   68 ILE          HN  5.50   (#   102:10  Preassigned   3.61, 4.81 A)
 &rst
  ixpk= 102, nxpk= 10, iat=  -1,1007, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 605, 606, 607,
 &end
#
#  39 ALA          HN   68 ILE          HN  6.00   (#   103:10  Preassigned   3.83, 4.24 A)
 &rst
  ixpk= 103, nxpk= 10, iat= 601,1007, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  68 ILE          HB   68 ILE          HN  4.00   (#   104:10  Preassigned   2.35, 2.49 A)
 &rst
  ixpk= 104, nxpk= 10, iat=1011,1007, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  32 VAL         MGX    5 ILE          HN  5.50   (#   105:10  Preassigned   3.69, 5.40 A)
 &rst
  ixpk= 105, nxpk= 10, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 522, 523, 524, 526, 527, 528,
 &end
#
#   0 AMB    10-2:106    5 ILE          HN  5.50   (#   106:10      Single   Ambig  )
 &rst
  ixpk= 106, nxpk= 10, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 532,  41,
 &end
#
#  32 VAL          HN    5 ILE          HN  6.00   (#   107:10  Preassigned   4.50, 4.78 A)
 &rst
  ixpk= 107, nxpk= 10, iat= 516,  69, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   0 AMB    10-2:108    5 ILE          HN  5.50   (#   108:10      Single   Ambig  )
 &rst
  ixpk= 108, nxpk= 10, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 494,  88,
 &end
#
#  76 TYR          HD    5 ILE          HN  5.50   (#   109:10  Preassigned   2.95, 5.83 A)
 &rst
  ixpk= 109, nxpk= 10, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1161,1170,
 &end
#
#   0 AMB    10-2:110    5 ILE          HN  5.50   (#   110:10      Single   Ambig  )
 &rst
  ixpk= 110, nxpk= 10, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  64,  65,1163,1168,
 &end
#
#   4 ASN          HA    5 ILE          HN  2.80   (#   111:10  Preassigned   2.10, 2.24 A)
 &rst
  ixpk= 111, nxpk= 10, iat=  57,  69, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  32 VAL          HA    5 ILE          HN  4.00   (#   112:10  Preassigned   2.51, 2.95 A)
 &rst
  ixpk= 112, nxpk= 10, iat= 518,  69, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   5 ILE          HA    5 ILE          HN  4.00   (#   113:10  Preassigned   2.93, 2.96 A)
 &rst
  ixpk= 113, nxpk= 10, iat=  71,  69, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    10-2:114    5 ILE          HN  5.50   (#   114:10      Single   Ambig  )
 &rst
  ixpk= 114, nxpk= 10, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  90,1155,
 &end
#
#   4 ASN         HB+    5 ILE          HN  5.50   (#   116:10  Preassigned   2.53, 3.81 A)
 &rst
  ixpk= 116, nxpk= 10, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  59,  60,
 &end
#
#  31 LYS         HB-    5 ILE          HN  5.50   (#   117:10  Preassigned   2.86, 4.46 A)
 &rst
  ixpk= 117, nxpk= 10, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 498, 499,
 &end
#
#   5 ILE          HB    5 ILE          HN  2.80   (#   118:10  Preassigned   2.28, 2.42 A)
 &rst
  ixpk= 118, nxpk= 10, iat=  73,  69, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   0 AMB    10-2:119    5 ILE          HN  5.50   (#   119:10      Single   Ambig  )
 &rst
  ixpk= 119, nxpk= 10, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 501, 502,  79,  80,
 &end
#
#  32 VAL         MGY    5 ILE          HN  5.50   (#   121:10  Preassigned   3.69, 5.40 A)
 &rst
  ixpk= 121, nxpk= 10, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 522, 523, 524, 526, 527, 528,
 &end
#
#   5 ILE         QD1    5 ILE          HN  5.50   (#   122:10  Preassigned   2.27, 4.25 A)
 &rst
  ixpk= 122, nxpk= 10, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  82,  83,  84,
 &end
#
#   5 ILE         QG2    5 ILE          HN  5.50   (#   123:10  Preassigned   4.26, 4.58 A)
 &rst
  ixpk= 123, nxpk= 10, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  75,  76,  77,
 &end
#
#  36 GLY          HN   68 ILE          HN  5.50   (#   124:10  Preassigned   3.03, 3.50 A)
 &rst
  ixpk= 124, nxpk= 10, iat= 568,1007, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  67 GLN        HE2-   68 ILE          HN  5.50   (#   125:10  Preassigned   2.83, 4.30 A)
 &rst
  ixpk= 125, nxpk= 10, iat=  -1,1007, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1002,1003,
 &end
#
#  67 GLN          HA   68 ILE          HN  4.00   (#   126:10  Preassigned   2.16, 2.23 A)
 &rst
  ixpk= 126, nxpk= 10, iat= 992,1007, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  67 GLN         HG+   68 ILE          HN  5.50   (#   127:10  Preassigned   2.33, 3.64 A)
 &rst
  ixpk= 127, nxpk= 10, iat=  -1,1007, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 997, 998,
 &end
#
#  68 ILE        HG1+   68 ILE          HN  5.50   (#   128:10  Preassigned   4.32, 4.53 A)
 &rst
  ixpk= 128, nxpk= 10, iat=  -1,1007, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1017,1018,
 &end
#
#  68 ILE         QG2   68 ILE          HN  2.80   (#   129:10  Preassigned   1.99, 3.03 A)
 &rst
  ixpk= 129, nxpk= 10, iat=  -1,1007, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1013,1014,1015,
 &end
#
#  65 ALA          HN   64 CYS          HN  5.50   (#   130:10  Preassigned   3.83, 4.16 A)
 &rst
  ixpk= 130, nxpk= 10, iat= 956, 945, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  63 HIS         HD1   64 CYS          HN  5.50   (#   131:10  Preassigned   2.82, 4.30 A)
 &rst
  ixpk= 131, nxpk= 10, iat= 936, 945, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  63 HIS         HD2   64 CYS          HN  7.00   (#   132:10  Preassigned   2.60, 3.16 A)
 &rst
  ixpk= 132, nxpk= 10, iat= 941, 945, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  44 GLY         HA+   64 CYS          HN  5.50   (#   134:10  Preassigned   4.29, 5.62 A)
 &rst
  ixpk= 134, nxpk= 10, iat=  -1, 945, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 677, 678,
 &end
#
#  63 HIS          HA   64 CYS          HN  2.80   (#   136:10  Preassigned   2.36, 2.47 A)
 &rst
  ixpk= 136, nxpk= 10, iat= 930, 945, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  63 HIS         HB+   64 CYS          HN  5.50   (#   137:10  Preassigned   3.61, 4.09 A)
 &rst
  ixpk= 137, nxpk= 10, iat=  -1, 945, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 932, 933,
 &end
#
#  63 HIS         HB-   64 CYS          HN  5.50   (#   138:10  Preassigned   3.61, 4.09 A)
 &rst
  ixpk= 138, nxpk= 10, iat=  -1, 945, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 932, 933,
 &end
#
#  64 CYS         HB+   64 CYS          HN  4.00   (#   139:10  Preassigned   2.75, 3.33 A)
 &rst
  ixpk= 139, nxpk= 10, iat=  -1, 945, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 949, 950,
 &end
#
#  64 CYS         HB-   64 CYS          HN  4.00   (#   140:10  Preassigned   2.75, 3.33 A)
 &rst
  ixpk= 140, nxpk= 10, iat=  -1, 945, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 949, 950,
 &end
#
#  64 CYS          HA   64 CYS          HN  4.00   (#   141:10  Preassigned   2.92, 2.95 A)
 &rst
  ixpk= 141, nxpk= 10, iat= 947, 945, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  65 ALA          MB   64 CYS          HN  6.00   (#   142:10  Preassigned   5.51, 6.36 A)
 &rst
  ixpk= 142, nxpk= 10, iat=  -1, 945, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 960, 961, 962,
 &end
#
#  83 GLU          HN   84 LYS          HN  5.50   (#   143:10  Preassigned   4.29, 4.39 A)
 &rst
  ixpk= 143, nxpk= 10, iat=1274,1289, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    10-2:144   32 VAL          HN  5.50   (#   144:10      Single   Ambig  )
 &rst
  ixpk= 144, nxpk= 10, iat=  -1, 516, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 374, 375, 374, 375,
 &end
#
#  32 VAL         MGY   32 VAL          HN  2.80   (#   145:10  Preassigned   2.58, 4.20 A)
 &rst
  ixpk= 145, nxpk= 10, iat=  -1, 516, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 522, 523, 524, 526, 527, 528,
 &end
#
#  85 ARG          HN   84 LYS          HN  5.50   (#   146:10  Preassigned   2.50, 2.75 A)
 &rst
  ixpk= 146, nxpk= 10, iat=1311,1289, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  86 HIS          HN   84 LYS          HN  5.50   (#   147:10  Preassigned   4.03, 4.25 A)
 &rst
  ixpk= 147, nxpk= 10, iat=1335,1289, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  83 GLU          HA   84 LYS          HN  5.50   (#   149:10  Preassigned   2.21, 2.27 A)
 &rst
  ixpk= 149, nxpk= 10, iat=1276,1289, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 112 GLU          HA   84 LYS          HN  5.50   (#   150:10  Preassigned   4.10, 4.64 A)
 &rst
  ixpk= 150, nxpk= 10, iat=1755,1289, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  84 LYS          HA   84 LYS          HN  4.00   (#   151:10  Preassigned   2.79, 2.85 A)
 &rst
  ixpk= 151, nxpk= 10, iat=1291,1289, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 112 GLU         HG+   84 LYS          HN  5.50   (#   152:10  Preassigned   2.10, 4.41 A)
 &rst
  ixpk= 152, nxpk= 10, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1760,1761,
 &end
#
#  83 GLU         HB+   84 LYS          HN  4.00   (#   153:10  Preassigned   2.61, 3.47 A)
 &rst
  ixpk= 153, nxpk= 10, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1278,1279,
 &end
#
#   0 AMB    10-2:154   84 LYS          HN  5.50   (#   154:10      Single   Ambig  )
 &rst
  ixpk= 154, nxpk= 10, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1760,1761,1757,1758,
 &end
#
#  84 LYS         HB+   84 LYS          HN  4.00   (#   155:10  Preassigned   2.39, 2.90 A)
 &rst
  ixpk= 155, nxpk= 10, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1293,1294,
 &end
#
#   0 AMB    10-2:156   84 LYS          HN  5.50   (#   156:10      Single   Ambig  )
 &rst
  ixpk= 156, nxpk= 10, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1293,1294,1281,1282,
 &end
#
#  84 LYS         HD-   84 LYS          HN  5.50   (#   157:10  Preassigned   1.83, 4.62 A)
 &rst
  ixpk= 157, nxpk= 10, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1299,1300,
 &end
#
#  85 ARG         HG-   84 LYS          HN  5.50   (#   158:10  Preassigned   4.00, 5.07 A)
 &rst
  ixpk= 158, nxpk= 10, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1318,1319,
 &end
#
#   0 AMB    10-2:159   84 LYS          HN  4.00   (#   159:10      Single   Ambig  )
 &rst
  ixpk= 159, nxpk= 10, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1296,1297,1296,1297,
 &end
#
#  87 ILE         QD1   84 LYS          HN  7.00   (#   160:10  Preassigned   6.17, 7.00 A)
 &rst
  ixpk= 160, nxpk= 10, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1365,1366,1367,
 &end
#
# 103 LEU         MDX   84 LYS          HN  5.50   (#   161:10  Preassigned   2.94, 4.60 A)
 &rst
  ixpk= 161, nxpk= 10, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
# 103 LEU         MDY   84 LYS          HN  5.50   (#   162:10  Preassigned   2.94, 4.60 A)
 &rst
  ixpk= 162, nxpk= 10, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
#  83 GLU         HB-   84 LYS          HN  5.50   (#   163:10  Preassigned   2.61, 3.47 A)
 &rst
  ixpk= 163, nxpk= 10, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1278,1279,
 &end
#
#  35 ALA          HN    7 VAL          HN  5.50   (#   165:10  Preassigned   3.94, 4.20 A)
 &rst
  ixpk= 165, nxpk= 10, iat= 558, 107, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    10-2:166    7 VAL          HN  5.50   (#   166:10      Single   Ambig  )
 &rst
  ixpk= 166, nxpk= 10, iat=  -1, 107, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 551, 552, 551, 552,
 &end
#
#   6 LEU         HB-    7 VAL          HN  5.50   (#   167:10  Preassigned   3.38, 4.02 A)
 &rst
  ixpk= 167, nxpk= 10, iat=  -1, 107, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  92,  93,
 &end
#
#   6 LEU         MDX    7 VAL          HN  5.50   (#   168:10  Preassigned   2.08, 4.18 A)
 &rst
  ixpk= 168, nxpk= 10, iat=  -1, 107, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  97,  98,  99, 101, 102, 103,
 &end
#
#  33 GLU          HN    7 VAL          HN  5.50   (#   169:10  Preassigned   3.69, 3.84 A)
 &rst
  ixpk= 169, nxpk= 10, iat= 532, 107, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   6 LEU          HN    7 VAL          HN  5.50   (#   170:10  Preassigned   4.35, 4.43 A)
 &rst
  ixpk= 170, nxpk= 10, iat=  88, 107, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  34 SER          HA    7 VAL          HN  5.50   (#   171:10  Preassigned   1.89, 2.24 A)
 &rst
  ixpk= 171, nxpk= 10, iat= 549, 107, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   6 LEU          HA    7 VAL          HN  2.80   (#   172:10  Preassigned   2.26, 2.38 A)
 &rst
  ixpk= 172, nxpk= 10, iat=  90, 107, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   7 VAL          HB    7 VAL          HN  5.50   (#   173:10  Preassigned   2.54, 2.77 A)
 &rst
  ixpk= 173, nxpk= 10, iat= 111, 107, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  32 VAL         MGX    7 VAL          HN  5.50   (#   174:10  Preassigned   3.90, 6.56 A)
 &rst
  ixpk= 174, nxpk= 10, iat=  -1, 107, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 522, 523, 524, 526, 527, 528,
 &end
#
#   6 LEU          HG    7 VAL          HN  5.50   (#   175:10  Preassigned   2.28, 2.59 A)
 &rst
  ixpk= 175, nxpk= 10, iat=  95, 107, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  32 VAL         MGY    7 VAL          HN  6.00   (#   176:10  Preassigned   3.90, 6.56 A)
 &rst
  ixpk= 176, nxpk= 10, iat=  -1, 107, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 522, 523, 524, 526, 527, 528,
 &end
#
#   7 VAL         MGY    7 VAL          HN  4.00   (#   177:10  Preassigned   2.46, 4.21 A)
 &rst
  ixpk= 177, nxpk= 10, iat=  -1, 107, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 113, 114, 115, 117, 118, 119,
 &end
#
#   7 VAL         MGX    7 VAL          HN  5.50   (#   178:10  Preassigned   2.46, 4.21 A)
 &rst
  ixpk= 178, nxpk= 10, iat=  -1, 107, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 113, 114, 115, 117, 118, 119,
 &end
#
#   6 LEU         MDY    7 VAL          HN  4.00   (#   179:10  Preassigned   2.08, 4.18 A)
 &rst
  ixpk= 179, nxpk= 10, iat=  -1, 107, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=  97,  98,  99, 101, 102, 103,
 &end
#
#   6 LEU         HB+    7 VAL          HN  5.50   (#   180:10  Preassigned   3.38, 4.02 A)
 &rst
  ixpk= 180, nxpk= 10, iat=  -1, 107, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  92,  93,
 &end
#
#  31 LYS         HB+   32 VAL          HN  5.50   (#   181:10      Unique   2.68, 3.97 A)
 &rst
  ixpk= 181, nxpk= 10, iat=  -1, 516, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 498, 499,
 &end
#
#  31 LYS         HG+   32 VAL          HN  5.50   (#   182:10  Preassigned   2.40, 3.83 A)
 &rst
  ixpk= 182, nxpk= 10, iat=  -1, 516, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 501, 502,
 &end
#
#  33 GLU          HN   32 VAL          HN  5.50   (#   183:10  Preassigned   4.14, 4.27 A)
 &rst
  ixpk= 183, nxpk= 10, iat= 532, 516, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    10-2:184   32 VAL          HN  5.50   (#   184:10      Single   Ambig  )
 &rst
  ixpk= 184, nxpk= 10, iat=  -1, 516, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 379, 380, 379, 380,
 &end
#
#  32 VAL          HA   32 VAL          HN  5.50   (#   185:10  Preassigned   2.88, 2.92 A)
 &rst
  ixpk= 185, nxpk= 10, iat= 518, 516, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  32 VAL          HB   32 VAL          HN  5.50   (#   188:10  Preassigned   2.87, 3.07 A)
 &rst
  ixpk= 188, nxpk= 10, iat= 520, 516, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    10-2:189   32 VAL          HN  5.50   (#   189:10      Single   Ambig  )
 &rst
  ixpk= 189, nxpk= 10, iat=  -1, 516, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 504, 505, 504, 505,
 &end
#
#   7 VAL          HA    7 VAL          HN  5.50   (#   190:10  Preassigned   2.96, 2.97 A)
 &rst
  ixpk= 190, nxpk= 10, iat= 109, 107, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  83 GLU          HA  112 GLU          HN  5.50   (#   192:10  Preassigned   4.73, 5.27 A)
 &rst
  ixpk= 192, nxpk= 10, iat=1276,1753, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 111 CYS          HA  112 GLU          HN  2.80   (#   193:10  Preassigned   2.18, 2.32 A)
 &rst
  ixpk= 193, nxpk= 10, iat=1744,1753, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
# 112 GLU         HG+  112 GLU          HN  4.00   (#   194:10  Preassigned   2.01, 3.13 A)
 &rst
  ixpk= 194, nxpk= 10, iat=  -1,1753, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1760,1761,
 &end
#
#   0 AMB    10-2:195  112 GLU          HN  2.80   (#   195:10      Single   Ambig  )
 &rst
  ixpk= 195, nxpk= 10, iat=  -1,1753, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1760,1761,1757,1758,
 &end
#
# 103 LEU         MDX  112 GLU          HN  6.00   (#   196:10  Preassigned   2.96, 5.74 A)
 &rst
  ixpk= 196, nxpk= 10, iat=  -1,1753, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
# 103 LEU         MDY  112 GLU          HN  6.00   (#   197:10  Preassigned   2.96, 5.74 A)
 &rst
  ixpk= 197, nxpk= 10, iat=  -1,1753, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
# 113 ILE          HN  112 GLU          HN  5.50   (#   198:10  Preassigned   4.28, 4.61 A)
 &rst
  ixpk= 198, nxpk= 10, iat=1768,1753, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 111 CYS          HN  112 GLU          HN  5.50   (#   199:10  Preassigned   4.05, 4.51 A)
 &rst
  ixpk= 199, nxpk= 10, iat=1742,1753, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 105 GLY         HA-  112 GLU          HN  6.00   (#   200:10  Preassigned   3.93, 5.78 A)
 &rst
  ixpk= 200, nxpk= 10, iat=  -1,1753, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1655,1656,
 &end
#
# 111 CYS         HB-  112 GLU          HN  5.50   (#   201:10  Preassigned   1.95, 3.69 A)
 &rst
  ixpk= 201, nxpk= 10, iat=  -1,1753, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1746,1747,
 &end
#
# 111 CYS         HB+  112 GLU          HN  5.50   (#   202:10  Preassigned   1.95, 3.69 A)
 &rst
  ixpk= 202, nxpk= 10, iat=  -1,1753, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1746,1747,
 &end
#
# 112 GLU         HB+  112 GLU          HN  4.00   (#   203:10  Preassigned   2.16, 3.12 A)
 &rst
  ixpk= 203, nxpk= 10, iat=  -1,1753, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1757,1758,
 &end
#
#   0 AMB    10-2:205   49 ALA          HN  5.50   (#   205:10      Single   Ambig  )
 &rst
  ixpk= 205, nxpk= 10, iat=  -1, 732, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
       901, 902,
 &end
#
#   0 AMB    10-2:207  147 VAL          HN  4.00   (#   207:10      Single   Ambig  )
 &rst
  ixpk= 207, nxpk= 10, iat=  -1,2324, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=2311,2312,2328,
 &end
#
#   0 AMB    10-2:208  147 VAL          HN  5.50   (#   208:10      Single   Ambig  )
 &rst
  ixpk= 208, nxpk= 10, iat=  -1,2324, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2330,2331,2332,2334,2335,2336,2330,2331,2332,2334,
      2335,2336,
 &end
#
#  48 THR          HN   49 ALA          HN  2.80   (#   209:10  Preassigned   2.23, 2.36 A)
 &rst
  ixpk= 209, nxpk= 10, iat= 718, 732, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  50 ILE          HN   49 ALA          HN  4.00   (#   210:10  Preassigned   2.52, 2.59 A)
 &rst
  ixpk= 210, nxpk= 10, iat= 742, 732, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    10-2:211   49 ALA          HN  5.50   (#   211:10      Single   Ambig  )
 &rst
  ixpk= 211, nxpk= 10, iat=  -1, 732, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 692, 772,
 &end
#
#  49 ALA          HA   49 ALA          HN  4.00   (#   213:10  Preassigned   2.87, 2.89 A)
 &rst
  ixpk= 213, nxpk= 10, iat= 734, 732, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    10-2:214   49 ALA          HN  5.50   (#   214:10      Single   Ambig  )
 &rst
  ixpk= 214, nxpk= 10, iat=  -1, 732, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 720, 705, 706,
 &end
#
#  48 THR          HB   49 ALA          HN  5.50   (#   215:10  Preassigned   2.69, 2.80 A)
 &rst
  ixpk= 215, nxpk= 10, iat= 722, 732, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  46 ASP         HB-   49 ALA          HN  4.00   (#   216:10  Preassigned   2.38, 3.51 A)
 &rst
  ixpk= 216, nxpk= 10, iat=  -1, 732, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 696, 697,
 &end
#
#  47 PRO         HB+   49 ALA          HN  6.00   (#   217:10  Preassigned   5.04, 5.64 A)
 &rst
  ixpk= 217, nxpk= 10, iat=  -1, 732, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 711, 712,
 &end
#
#  47 PRO         HG-   49 ALA          HN  6.00   (#   218:10  Preassigned   4.90, 6.42 A)
 &rst
  ixpk= 218, nxpk= 10, iat=  -1, 732, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 708, 709,
 &end
#
#  47 PRO         HB-   49 ALA          HN  5.50   (#   219:10  Preassigned   5.04, 5.64 A)
 &rst
  ixpk= 219, nxpk= 10, iat=  -1, 732, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 711, 712,
 &end
#
#  50 ILE          HB   49 ALA          HN  5.50   (#   220:10  Preassigned   4.51, 4.72 A)
 &rst
  ixpk= 220, nxpk= 10, iat= 746, 732, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  49 ALA          MB   49 ALA          HN  4.00   (#   221:10  Preassigned   2.44, 2.91 A)
 &rst
  ixpk= 221, nxpk= 10, iat=  -1, 732, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 736, 737, 738,
 &end
#
#  52 VAL         MGX   49 ALA          HN  6.00   (#   222:10  Preassigned   4.54, 6.73 A)
 &rst
  ixpk= 222, nxpk= 10, iat=  -1, 732, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 778, 779, 780, 782, 783, 784,
 &end
#
#  50 ILE        HG1-   49 ALA          HN  7.00   (#   223:10  Preassigned   4.18, 5.20 A)
 &rst
  ixpk= 223, nxpk= 10, iat=  -1, 732, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 752, 753,
 &end
#
#  48 THR         MG2   49 ALA          HN  5.50   (#   224:10  Preassigned   4.17, 4.90 A)
 &rst
  ixpk= 224, nxpk= 10, iat=  -1, 732, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 724, 725, 726,
 &end
#
#  50 ILE          HA   49 ALA          HN  6.00   (#   225:10  Preassigned   5.16, 5.22 A)
 &rst
  ixpk= 225, nxpk= 10, iat= 744, 732, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  69 SER         HB-   67 GLN          HN  6.00   (#   226:10  Preassigned   5.94, 7.50 A)
 &rst
  ixpk= 226, nxpk= 10, iat=  -1, 990, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1030,1031,
 &end
#
#   0 AMB    10-2:227   67 GLN          HN  7.00   (#   227:10      Single   Ambig  )
 &rst
  ixpk= 227, nxpk= 10, iat=  -1, 990, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 960, 961, 962,1011,
 &end
#
#  79 ILE          HA   79 ILE          HN  5.50   (#   228:10  Preassigned   2.96, 2.98 A)
 &rst
  ixpk= 228, nxpk= 10, iat=1207,1205, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  78 LEU          HA   79 ILE          HN  4.00   (#   229:10  Preassigned   2.22, 2.27 A)
 &rst
  ixpk= 229, nxpk= 10, iat=1188,1205, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 100 LYS         HB+   79 ILE          HN  5.50   (#   230:10  Preassigned   3.09, 4.06 A)
 &rst
  ixpk= 230, nxpk= 10, iat=  -1,1205, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1563,1564,
 &end
#
#  97 MET          ME   79 ILE          HN  5.50   (#   231:10  Preassigned   4.19, 5.59 A)
 &rst
  ixpk= 231, nxpk= 10, iat=  -1,1205, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1522,1523,1524,
 &end
#
#  79 ILE        HG1+   79 ILE          HN  5.50   (#   232:10  Preassigned   2.53, 3.79 A)
 &rst
  ixpk= 232, nxpk= 10, iat=  -1,1205, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1215,1216,
 &end
#
#  78 LEU         HB+   79 ILE          HN  5.50   (#   233:10  Preassigned   3.53, 4.27 A)
 &rst
  ixpk= 233, nxpk= 10, iat=  -1,1205, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1190,1191,
 &end
#
#  78 LEU         HB-   79 ILE          HN  5.50   (#   234:10  Preassigned   3.53, 4.27 A)
 &rst
  ixpk= 234, nxpk= 10, iat=  -1,1205, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1190,1191,
 &end
#
#  79 ILE        HG1-   79 ILE          HN  5.50   (#   235:10  Preassigned   2.53, 3.79 A)
 &rst
  ixpk= 235, nxpk= 10, iat=  -1,1205, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1215,1216,
 &end
#
#   0 AMB    10-2:236   79 ILE          HN  4.00   (#   236:10      Single   Ambig  )
 &rst
  ixpk= 236, nxpk= 10, iat=  -1,1205, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1=1218,1219,1220,1587,1588,1589,1591,1592,1593,
 &end
#
#  79 ILE         QG2   79 ILE          HN  5.50   (#   237:10  Preassigned   4.18, 4.67 A)
 &rst
  ixpk= 237, nxpk= 10, iat=  -1,1205, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1211,1212,1213,
 &end
#
#  78 LEU         MDY   79 ILE          HN  4.00   (#   238:10  Preassigned   2.06, 4.37 A)
 &rst
  ixpk= 238, nxpk= 10, iat=  -1,1205, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1195,1196,1197,1199,1200,1201,
 &end
#
#  80 LEU         MDY   79 ILE          HN  5.50   (#   240:10  Preassigned   3.55, 5.55 A)
 &rst
  ixpk= 240, nxpk= 10, iat=  -1,1205, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1233,1234,1235,1237,1238,1239,
 &end
#
# 101 VAL          HA   79 ILE          HN  5.50   (#   241:10  Preassigned   2.88, 3.19 A)
 &rst
  ixpk= 241, nxpk= 10, iat=1583,1205, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  79 ILE          HB   79 ILE          HN  4.00   (#   242:10  Preassigned   2.37, 2.65 A)
 &rst
  ixpk= 242, nxpk= 10, iat=1209,1205, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 146 GLN          HN  147 VAL          HN  5.50   (#   244:10  Preassigned   2.64, 4.23 A)
 &rst
  ixpk= 244, nxpk= 10, iat=2307,2324, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 146 GLN          HA  147 VAL          HN  4.00   (#   245:10  Preassigned   2.26, 2.40 A)
 &rst
  ixpk= 245, nxpk= 10, iat=2309,2324, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 146 GLN         HB-  147 VAL          HN  5.50   (#   246:10      Unique   1.97, 3.32 A)
 &rst
  ixpk= 246, nxpk= 10, iat=  -1,2324, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2311,2312,
 &end
#
#  68 ILE          HN   67 GLN          HN  5.50   (#   268:10  Preassigned   4.50, 4.58 A)
 &rst
  ixpk= 268, nxpk= 10, iat=1007, 990, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    10-2:269   67 GLN          HN  5.50   (#   269:10      Single   Ambig  )
 &rst
  ixpk= 269, nxpk= 10, iat=  -1, 990, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 630, 979,
 &end
#
#  66 ARG          HA   67 GLN          HN  2.80   (#   270:10  Preassigned   2.22, 2.29 A)
 &rst
  ixpk= 270, nxpk= 10, iat= 968, 990, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  67 GLN          HA   67 GLN          HN  4.00   (#   271:10  Preassigned   2.87, 2.92 A)
 &rst
  ixpk= 271, nxpk= 10, iat= 992, 990, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  41 VAL          HA   67 GLN          HN  6.00   (#   272:10  Preassigned   3.99, 4.66 A)
 &rst
  ixpk= 272, nxpk= 10, iat= 632, 990, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  67 GLN         HG-   67 GLN          HN  5.50   (#   273:10  Preassigned   2.75, 4.36 A)
 &rst
  ixpk= 273, nxpk= 10, iat=  -1, 990, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 997, 998,
 &end
#
#  67 GLN         HG+   67 GLN          HN  5.50   (#   274:10  Preassigned   2.75, 4.36 A)
 &rst
  ixpk= 274, nxpk= 10, iat=  -1, 990, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 997, 998,
 &end
#
#  67 GLN         HB+   67 GLN          HN  4.00   (#   275:10  Preassigned   2.23, 2.58 A)
 &rst
  ixpk= 275, nxpk= 10, iat=  -1, 990, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 994, 995,
 &end
#
#  66 ARG         HB+   67 GLN          HN  4.00   (#   276:10  Preassigned   2.73, 3.60 A)
 &rst
  ixpk= 276, nxpk= 10, iat=  -1, 990, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 970, 971,
 &end
#
#  66 ARG         HB-   67 GLN          HN  5.50   (#   277:10  Preassigned   2.73, 3.60 A)
 &rst
  ixpk= 277, nxpk= 10, iat=  -1, 990, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 970, 971,
 &end
#
#  66 ARG          HN   67 GLN          HN  5.50   (#   279:10  Preassigned   4.11, 4.21 A)
 &rst
  ixpk= 279, nxpk= 10, iat= 966, 990, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  66 ARG         HG-   67 GLN          HN  5.50   (#   280:10  Preassigned   3.52, 4.59 A)
 &rst
  ixpk= 280, nxpk= 10, iat=  -1, 990, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 973, 974,
 &end
#
#   0 AMB    10-2:281   79 ILE          HN  4.00   (#   281:10      Single   Ambig  )
 &rst
  ixpk= 281, nxpk= 10, iat=  -1,1205, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1224,1597,
 &end
#
#  78 LEU          HN   79 ILE          HN  5.50   (#   282:10  Preassigned   3.94, 4.13 A)
 &rst
  ixpk= 282, nxpk= 10, iat=1186,1205, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  78 LEU         MDX   79 ILE          HN  5.50   (#   284:10  Preassigned   2.06, 4.37 A)
 &rst
  ixpk= 284, nxpk= 10, iat=  -1,1205, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1195,1196,1197,1199,1200,1201,
 &end
#
# 136 ARG          HN  135 ALA          HN  4.00   (#   289:10  Preassigned   2.64, 2.72 A)
 &rst
  ixpk= 289, nxpk= 10, iat=2147,2137, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 134 SER          HN  135 ALA          HN  2.80   (#   290:10  Preassigned   2.86, 2.91 A)
 &rst
  ixpk= 290, nxpk= 10, iat=2126,2137, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
# 133 ARG          HN  135 ALA          HN  5.50   (#   291:10  Preassigned   3.97, 4.16 A)
 &rst
  ixpk= 291, nxpk= 10, iat=2102,2137, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 137 GLN          HN  135 ALA          HN  5.50   (#   292:10  Preassigned   3.71, 3.83 A)
 &rst
  ixpk= 292, nxpk= 10, iat=2171,2137, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 104 PHE          HE  135 ALA          HN  4.00   (#   293:10  Preassigned   3.18, 5.41 A)
 &rst
  ixpk= 293, nxpk= 10, iat=  -1,2137, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1643,1647,
 &end
#
# 134 SER          HA  135 ALA          HN  5.50   (#   295:10  Preassigned   3.56, 3.60 A)
 &rst
  ixpk= 295, nxpk= 10, iat=2128,2137, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    10-2:296  135 ALA          HN  4.00   (#   296:10      Single   Ambig  )
 &rst
  ixpk= 296, nxpk= 10, iat=  -1,2137, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2139,2070,
 &end
#
# 133 ARG          HA  135 ALA          HN  5.50   (#   297:10  Preassigned   4.42, 4.55 A)
 &rst
  ixpk= 297, nxpk= 10, iat=2104,2137, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 134 SER         HB-  135 ALA          HN  5.50   (#   298:10  Preassigned   2.66, 3.39 A)
 &rst
  ixpk= 298, nxpk= 10, iat=  -1,2137, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2130,2131,
 &end
#
# 134 SER         HB+  135 ALA          HN  5.50   (#   299:10  Preassigned   2.66, 3.39 A)
 &rst
  ixpk= 299, nxpk= 10, iat=  -1,2137, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2130,2131,
 &end
#
# 136 ARG          HA  135 ALA          HN  7.00   (#   300:10  Preassigned   5.30, 5.34 A)
 &rst
  ixpk= 300, nxpk= 10, iat=2149,2137, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   0 AMB    10-2:302  135 ALA          HN  5.50   (#   302:10      Single   Ambig  )
 &rst
  ixpk= 302, nxpk= 10, iat=  -1,2137, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2072,2073,2151,2152,
 &end
#
# 135 ALA          MB  135 ALA          HN  4.00   (#   303:10  Preassigned   2.44, 2.95 A)
 &rst
  ixpk= 303, nxpk= 10, iat=  -1,2137, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=2141,2142,2143,
 &end
#
#   0 AMB    10-2:304  135 ALA          HN  7.00   (#   304:10      Single   Ambig  )
 &rst
  ixpk= 304, nxpk= 10, iat=  -1,2137, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=2154,2155, 333, 334,
 &end
#
#  22 LEU         MDX  135 ALA          HN  5.50   (#   305:10  Preassigned   4.12, 6.35 A)
 &rst
  ixpk= 305, nxpk= 10, iat=  -1,2137, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
# 131 LEU         MDY  135 ALA          HN  5.50   (#   306:10  Preassigned   4.29, 6.76 A)
 &rst
  ixpk= 306, nxpk= 10, iat=  -1,2137, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2077,2078,2079,2081,2082,2083,
 &end
#
#  22 LEU         MDY  135 ALA          HN  6.00   (#   307:10  Preassigned   4.12, 6.35 A)
 &rst
  ixpk= 307, nxpk= 10, iat=  -1,2137, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   0 AMB    10-2:308    8 VAL          HN  5.50   (#   308:10      Single   Ambig  )
 &rst
  ixpk= 308, nxpk= 10, iat=  -1, 123, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1257,  88,
 &end
#
#  16 SER          HA    8 VAL          HN  6.00   (#   310:10  Preassigned   4.98, 5.57 A)
 &rst
  ixpk= 310, nxpk= 10, iat= 243, 123, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   8 VAL          HB    8 VAL          HN  4.00   (#   311:10  Preassigned   2.62, 2.82 A)
 &rst
  ixpk= 311, nxpk= 10, iat= 127, 123, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    10-2:312    8 VAL          HN  5.50   (#   312:10      Single   Ambig  )
 &rst
  ixpk= 312, nxpk= 10, iat=  -1, 123, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1268,1269,1270,  92,  93,
 &end
#
#  81 THR          HA    8 VAL          HN  4.00   (#   313:10  Preassigned   2.91, 3.10 A)
 &rst
  ixpk= 313, nxpk= 10, iat=1245, 123, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   8 VAL          HA    8 VAL          HN  5.50   (#   314:10  Preassigned   2.96, 2.97 A)
 &rst
  ixpk= 314, nxpk= 10, iat= 125, 123, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  81 THR          HB    8 VAL          HN  5.50   (#   315:10  Preassigned   3.36, 3.89 A)
 &rst
  ixpk= 315, nxpk= 10, iat=1247, 123, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   8 VAL         MGX    8 VAL          HN  5.50   (#   317:10  Preassigned   2.50, 4.16 A)
 &rst
  ixpk= 317, nxpk= 10, iat=  -1, 123, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 129, 130, 131, 133, 134, 135,
 &end
#
#   7 VAL         MGX    8 VAL          HN  4.00   (#   318:10  Preassigned   2.53, 4.24 A)
 &rst
  ixpk= 318, nxpk= 10, iat=  -1, 123, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 113, 114, 115, 117, 118, 119,
 &end
#
#   7 VAL          HA    8 VAL          HN  4.00   (#   319:10  Preassigned   2.14, 2.21 A)
 &rst
  ixpk= 319, nxpk= 10, iat= 109, 123, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  32 VAL          HN   33 GLU          HN  5.50   (#   320:10  Preassigned   4.14, 4.27 A)
 &rst
  ixpk= 320, nxpk= 10, iat= 516, 532, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  70 ARG         HB+   70 ARG          HN  5.50   (#   323:10      Unique   2.17, 2.59 A)
 &rst
  ixpk= 323, nxpk= 10, iat=  -1,1037, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1041,1042,
 &end
#
#  69 SER         HB-   70 ARG          HN  6.00   (#   324:10  Preassigned   2.49, 3.22 A)
 &rst
  ixpk= 324, nxpk= 10, iat=  -1,1037, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1030,1031,
 &end
#
#  70 ARG          HA   70 ARG          HN  7.00   (#   325:10  Preassigned   2.73, 2.82 A)
 &rst
  ixpk= 325, nxpk= 10, iat=1039,1037, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
# 103 LEU          HN  102 MET          HN  5.50   (#   326:10  Preassigned   4.03, 4.42 A)
 &rst
  ixpk= 326, nxpk= 10, iat=1614,1597, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 101 VAL          HN  102 MET          HN  5.50   (#   327:10  Preassigned   4.17, 4.46 A)
 &rst
  ixpk= 327, nxpk= 10, iat=1581,1597, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  80 LEU          HA  102 MET          HN  4.00   (#   328:10  Preassigned   2.47, 2.73 A)
 &rst
  ixpk= 328, nxpk= 10, iat=1226,1597, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 101 VAL          HA  102 MET          HN  2.80   (#   329:10  Preassigned   2.17, 2.24 A)
 &rst
  ixpk= 329, nxpk= 10, iat=1583,1597, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
# 102 MET          HA  102 MET          HN  4.00   (#   330:10  Preassigned   2.85, 2.96 A)
 &rst
  ixpk= 330, nxpk= 10, iat=1599,1597, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    10-2:331  102 MET          HN  4.00   (#   331:10      Single   Ambig  )
 &rst
  ixpk= 331, nxpk= 10, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1604,1605,1601,1602,
 &end
#
# 101 VAL          HB  102 MET          HN  5.50   (#   332:10  Preassigned   4.21, 4.33 A)
 &rst
  ixpk= 332, nxpk= 10, iat=1585,1597, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    10-2:333  102 MET          HN  2.80   (#   333:10      Single   Ambig  )
 &rst
  ixpk= 333, nxpk= 10, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1587,1588,1589,1591,1592,1593,1587,1588,1589,1591,
      1592,1593,
 &end
#
#  80 LEU         MDY   80 LEU          HN  5.50   (#   335:10  Preassigned   2.25, 4.18 A)
 &rst
  ixpk= 335, nxpk= 10, iat=  -1,1224, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1233,1234,1235,1237,1238,1239,
 &end
#
# 127 VAL          HN  125 ALA          HN  5.50   (#   336:10  Preassigned   4.21, 4.37 A)
 &rst
  ixpk= 336, nxpk= 10, iat=1998,1978, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 126 ALA          HN  125 ALA          HN  4.00   (#   337:10  Preassigned   2.69, 2.75 A)
 &rst
  ixpk= 337, nxpk= 10, iat=1988,1978, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 124 PHE          HN  125 ALA          HN  4.00   (#   338:10  Preassigned   2.67, 2.79 A)
 &rst
  ixpk= 338, nxpk= 10, iat=1958,1978, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    10-2:339    0 AMB    10-1:339  5.50   (#   339:10      Double   Ambig  )
 &rst
  ixpk= 339, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1643,1647,1966,1974,
 igr2=1224,1978,
 &end
#
# 125 ALA          HA  125 ALA          HN  4.00   (#   341:10  Preassigned   2.83, 2.85 A)
 &rst
  ixpk= 341, nxpk= 10, iat=1980,1978, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 122 GLU          HA  125 ALA          HN  4.00   (#   342:10      Unique   2.84, 3.26 A)
 &rst
  ixpk= 342, nxpk= 10, iat=1931,1978, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 121 ARG          HA  125 ALA          HN  5.50   (#   343:10  Preassigned   3.79, 3.99 A)
 &rst
  ixpk= 343, nxpk= 10, iat=1907,1978, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 124 PHE          HA  125 ALA          HN  5.50   (#   344:10  Preassigned   3.58, 3.62 A)
 &rst
  ixpk= 344, nxpk= 10, iat=1960,1978, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 124 PHE         HB+  125 ALA          HN  4.00   (#   345:10  Preassigned   2.74, 3.19 A)
 &rst
  ixpk= 345, nxpk= 10, iat=  -1,1978, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1962,1963,
 &end
#
# 124 PHE         HB-  125 ALA          HN  5.50   (#   346:10  Preassigned   2.74, 3.19 A)
 &rst
  ixpk= 346, nxpk= 10, iat=  -1,1978, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1962,1963,
 &end
#
#  79 ILE          HB   80 LEU          HN  5.50   (#   347:10  Preassigned   4.25, 4.43 A)
 &rst
  ixpk= 347, nxpk= 10, iat=1209,1224, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    10-2:348    0 AMB    10-1:348  2.80   (#   348:10      Double   Ambig  )
 &rst
  ixpk= 348, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
 igr1=1982,1983,1984,1601,1602,
 igr2=1978,1597,
 &end
#
#   0 AMB    10-2:349    0 AMB    10-1:349  5.50   (#   349:10      Double   Ambig  )
 &rst
  ixpk= 349, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1215,1216,1215,1216,
 igr2=1224,1597,
 &end
#
# 121 ARG         HG+  125 ALA          HN  6.00   (#   350:10  Preassigned   4.03, 5.69 A)
 &rst
  ixpk= 350, nxpk= 10, iat=  -1,1978, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1912,1913,
 &end
#
#   0 AMB    10-2:351   80 LEU          HN  4.00   (#   351:10      Single   Ambig  )
 &rst
  ixpk= 351, nxpk= 10, iat=  -1,1224, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=1228,1229,1231,
 &end
#
#   5 ILE          HN   33 GLU          HN  5.50   (#   353:10  Preassigned   3.83, 4.46 A)
 &rst
  ixpk= 353, nxpk= 10, iat=  69, 532, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   7 VAL          HN   33 GLU          HN  4.00   (#   354:10  Preassigned   3.69, 3.84 A)
 &rst
  ixpk= 354, nxpk= 10, iat= 107, 532, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  76 TYR          HE   33 GLU          HN  5.50   (#   355:10  Preassigned   3.52, 6.14 A)
 &rst
  ixpk= 355, nxpk= 10, iat=  -1, 532, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1163,1168,
 &end
#
#  33 GLU         HG+   33 GLU          HN  5.50   (#   357:10  Preassigned   3.37, 4.45 A)
 &rst
  ixpk= 357, nxpk= 10, iat=  -1, 532, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 539, 540,
 &end
#
#  32 VAL         MGX   33 GLU          HN  5.50   (#   358:10  Preassigned   2.14, 4.15 A)
 &rst
  ixpk= 358, nxpk= 10, iat=  -1, 532, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 522, 523, 524, 526, 527, 528,
 &end
#
#  32 VAL         MGY   33 GLU          HN  5.50   (#   359:10  Preassigned   2.14, 4.15 A)
 &rst
  ixpk= 359, nxpk= 10, iat=  -1, 532, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 522, 523, 524, 526, 527, 528,
 &end
#
#   7 VAL         MGY   33 GLU          HN  5.50   (#   360:10  Preassigned   3.44, 6.32 A)
 &rst
  ixpk= 360, nxpk= 10, iat=  -1, 532, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 113, 114, 115, 117, 118, 119,
 &end
#
#   6 LEU         MDY   33 GLU          HN  5.50   (#   361:10  Preassigned   3.49, 5.86 A)
 &rst
  ixpk= 361, nxpk= 10, iat=  -1, 532, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  97,  98,  99, 101, 102, 103,
 &end
#
#  32 VAL          HA   33 GLU          HN  4.00   (#   362:10  Preassigned   2.21, 2.29 A)
 &rst
  ixpk= 362, nxpk= 10, iat= 518, 532, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   6 LEU          HA   33 GLU          HN  5.50   (#   363:10  Preassigned   2.43, 2.59 A)
 &rst
  ixpk= 363, nxpk= 10, iat=  90, 532, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    10-2:364   33 GLU          HN  5.50   (#   364:10      Single   Ambig  )
 &rst
  ixpk= 364, nxpk= 10, iat=  -1, 532, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 536, 537, 539, 540,
 &end
#
#  32 VAL          HB   33 GLU          HN  5.50   (#   365:10  Preassigned   3.55, 3.89 A)
 &rst
  ixpk= 365, nxpk= 10, iat= 520, 532, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  33 GLU         HB-   33 GLU          HN  5.50   (#   366:10  Preassigned   2.62, 3.11 A)
 &rst
  ixpk= 366, nxpk= 10, iat=  -1, 532, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 536, 537,
 &end
#
#  41 VAL          HN   40 LEU          HN  5.50   (#   367:10  Preassigned   2.81, 3.46 A)
 &rst
  ixpk= 367, nxpk= 10, iat= 630, 611, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    10-2:369   40 LEU          HN  7.00   (#   369:10      Single   Ambig  )
 &rst
  ixpk= 369, nxpk= 10, iat=  -1, 611, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 570, 571, 632,
 &end
#
#  40 LEU          HG   40 LEU          HN  5.50   (#   370:10  Preassigned   2.43, 2.94 A)
 &rst
  ixpk= 370, nxpk= 10, iat= 618, 611, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  40 LEU         HB+   40 LEU          HN  4.00   (#   371:10  Preassigned   2.33, 3.05 A)
 &rst
  ixpk= 371, nxpk= 10, iat=  -1, 611, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 615, 616,
 &end
#
#  40 LEU         HB-   40 LEU          HN  5.50   (#   372:10  Preassigned   2.33, 3.05 A)
 &rst
  ixpk= 372, nxpk= 10, iat=  -1, 611, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 615, 616,
 &end
#
#  65 ALA          MB   40 LEU          HN  5.50   (#   373:10  Preassigned   2.20, 3.52 A)
 &rst
  ixpk= 373, nxpk= 10, iat=  -1, 611, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 960, 961, 962,
 &end
#
#  39 ALA          MB   40 LEU          HN  5.50   (#   374:10  Preassigned   2.68, 3.63 A)
 &rst
  ixpk= 374, nxpk= 10, iat=  -1, 611, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 605, 606, 607,
 &end
#
#   0 AMB    10-2:375   40 LEU          HN  5.50   (#   375:10      Single   Ambig  )
 &rst
  ixpk= 375, nxpk= 10, iat=  -1, 611, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 620, 621, 622, 624, 625, 626, 620, 621, 622, 624,
       625, 626,
 &end
#
#  40 LEU          HA   40 LEU          HN  5.50   (#   376:10  Preassigned   2.28, 2.92 A)
 &rst
  ixpk= 376, nxpk= 10, iat= 613, 611, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  39 ALA          HA   40 LEU          HN  4.00   (#   377:10  Preassigned   2.15, 2.27 A)
 &rst
  ixpk= 377, nxpk= 10, iat= 603, 611, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 102 MET         HG-  102 MET          HN  5.50   (#   379:10  Preassigned   2.36, 3.63 A)
 &rst
  ixpk= 379, nxpk= 10, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1604,1605,
 &end
#
#  82 MET         HG+  113 ILE          HN  5.50   (#   380:10  Preassigned   3.88, 5.21 A)
 &rst
  ixpk= 380, nxpk= 10, iat=  -1,1768, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1264,1265,
 &end
#
#  82 MET         HG-  113 ILE          HN  6.00   (#   381:10  Preassigned   3.88, 5.21 A)
 &rst
  ixpk= 381, nxpk= 10, iat=  -1,1768, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1264,1265,
 &end
#
# 113 ILE          HB  113 ILE          HN  5.50   (#   382:10  Preassigned   2.32, 2.42 A)
 &rst
  ixpk= 382, nxpk= 10, iat=1772,1768, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 103 LEU         MDY  113 ILE          HN  6.00   (#   383:10  Preassigned   3.68, 5.51 A)
 &rst
  ixpk= 383, nxpk= 10, iat=  -1,1768, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
# 112 GLU         HB+  113 ILE          HN  5.50   (#   384:10  Preassigned   2.43, 3.52 A)
 &rst
  ixpk= 384, nxpk= 10, iat=  -1,1768, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1757,1758,
 &end
#
# 103 LEU         MDX  113 ILE          HN  6.00   (#   385:10  Preassigned   3.68, 5.51 A)
 &rst
  ixpk= 385, nxpk= 10, iat=  -1,1768, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
# 112 GLU          HN  113 ILE          HN  5.50   (#   389:10  Preassigned   4.28, 4.61 A)
 &rst
  ixpk= 389, nxpk= 10, iat=1753,1768, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  82 MET          HA  113 ILE          HN  5.50   (#   390:10  Preassigned   3.43, 3.70 A)
 &rst
  ixpk= 390, nxpk= 10, iat=1259,1768, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 112 GLU          HA  113 ILE          HN  2.80   (#   392:10  Preassigned   2.25, 2.31 A)
 &rst
  ixpk= 392, nxpk= 10, iat=1755,1768, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
# 114 PRO         HD+  113 ILE          HN  6.00   (#   393:10  Preassigned   4.66, 5.00 A)
 &rst
  ixpk= 393, nxpk= 10, iat=  -1,1768, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1788,1789,
 &end
#
#   0 AMB    10-2:394  113 ILE          HN  7.00   (#   394:10      Single   Ambig  )
 &rst
  ixpk= 394, nxpk= 10, iat=  -1,1768, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1261,1262,1261,1262,
 &end
#
#   0 AMB    10-2:395  113 ILE          HN  5.50   (#   395:10      Single   Ambig  )
 &rst
  ixpk= 395, nxpk= 10, iat=  -1,1768, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1281,1282,1621,
 &end
#
# 113 ILE        HG1-  113 ILE          HN  5.50   (#   396:10  Preassigned   2.26, 2.93 A)
 &rst
  ixpk= 396, nxpk= 10, iat=  -1,1768, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1778,1779,
 &end
#
# 113 ILE         QD1  113 ILE          HN  5.50   (#   397:10  Preassigned   4.22, 4.74 A)
 &rst
  ixpk= 397, nxpk= 10, iat=  -1,1768, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1781,1782,1783,
 &end
#
#   5 ILE          HN   31 LYS          HN  5.50   (#   398:10  Preassigned   3.76, 4.43 A)
 &rst
  ixpk= 398, nxpk= 10, iat=  69, 494, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   4 ASN          HA   31 LYS          HN  5.50   (#   399:10  Preassigned   2.71, 3.79 A)
 &rst
  ixpk= 399, nxpk= 10, iat=  57, 494, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  30 LEU          HA   31 LYS          HN  4.00   (#   400:10  Preassigned   2.19, 2.34 A)
 &rst
  ixpk= 400, nxpk= 10, iat= 477, 494, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  31 LYS         HB-   31 LYS          HN  5.50   (#   403:10  Preassigned   2.17, 2.84 A)
 &rst
  ixpk= 403, nxpk= 10, iat=  -1, 494, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 498, 499,
 &end
#
#  30 LEU         HB-   31 LYS          HN  5.50   (#   405:10  Preassigned   2.05, 3.80 A)
 &rst
  ixpk= 405, nxpk= 10, iat=  -1, 494, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 479, 480,
 &end
#
#   0 AMB    10-2:406   31 LYS          HN  4.00   (#   406:10      Single   Ambig  )
 &rst
  ixpk= 406, nxpk= 10, iat=  -1, 494, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 479, 480, 501, 502,
 &end
#
#  30 LEU         MDY   31 LYS          HN  4.00   (#   407:10  Preassigned   2.19, 4.84 A)
 &rst
  ixpk= 407, nxpk= 10, iat=  -1, 494, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 484, 485, 486, 488, 489, 490,
 &end
#
#  30 LEU         MDX   31 LYS          HN  5.50   (#   408:10      Unique   2.19, 4.84 A)
 &rst
  ixpk= 408, nxpk= 10, iat=  -1, 494, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 484, 485, 486, 488, 489, 490,
 &end
#
#  30 LEU          HN   31 LYS          HN  5.50   (#   409:10  Preassigned   3.87, 4.41 A)
 &rst
  ixpk= 409, nxpk= 10, iat= 475, 494, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   3 ASN          HA   31 LYS          HN  6.00   (#   410:10  Preassigned   3.56, 4.74 A)
 &rst
  ixpk= 410, nxpk= 10, iat=  43, 494, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   0 AMB    10-2:412   31 LYS          HN  7.00   (#   412:10      Single   Ambig  )
 &rst
  ixpk= 412, nxpk= 10, iat=  -1, 494, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 504, 505, 504, 505,
 &end
#
# 125 ALA          HN  126 ALA          HN  4.00   (#   413:10  Preassigned   2.69, 2.75 A)
 &rst
  ixpk= 413, nxpk= 10, iat=1978,1988, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 128 TYR          HN  126 ALA          HN  5.50   (#   414:10  Preassigned   4.10, 4.15 A)
 &rst
  ixpk= 414, nxpk= 10, iat=2014,1988, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 127 VAL          HN  126 ALA          HN  4.00   (#   415:10  Preassigned   2.72, 2.81 A)
 &rst
  ixpk= 415, nxpk= 10, iat=1998,1988, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 124 PHE          HA  126 ALA          HN  5.50   (#   416:10  Preassigned   4.31, 4.54 A)
 &rst
  ixpk= 416, nxpk= 10, iat=1960,1988, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 127 VAL          HB  126 ALA          HN  5.50   (#   417:10  Preassigned   4.64, 5.32 A)
 &rst
  ixpk= 417, nxpk= 10, iat=2002,1988, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    10-2:418  126 ALA          HN  2.80   (#   418:10      Single   Ambig  )
 &rst
  ixpk= 418, nxpk= 10, iat=  -1,1988, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1992,1993,1994,1982,1983,1984,
 &end
#
#   0 AMB    10-2:420  126 ALA          HN  5.50   (#   420:10      Single   Ambig  )
 &rst
  ixpk= 420, nxpk= 10, iat=  -1,1988, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2004,2005,2006,2008,2009,2010,2004,2005,2006,2008,
      2009,2010,
 &end
#
# 107 TRP          HN  108 ASP          HN  4.00   (#   421:10  Preassigned   2.35, 2.62 A)
 &rst
  ixpk= 421, nxpk= 10, iat=1677,1701, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 110 GLU          HN  108 ASP          HN  5.50   (#   422:10  Preassigned   2.64, 3.12 A)
 &rst
  ixpk= 422, nxpk= 10, iat=1727,1701, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 111 CYS          HN  108 ASP          HN  5.50   (#   423:10  Preassigned   3.69, 4.15 A)
 &rst
  ixpk= 423, nxpk= 10, iat=1742,1701, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 107 TRP         HD1  108 ASP          HN  7.00   (#   425:10  Preassigned   4.21, 5.18 A)
 &rst
  ixpk= 425, nxpk= 10, iat=1685,1701, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
# 105 GLY         HA+  108 ASP          HN  5.50   (#   426:10  Preassigned   2.71, 3.64 A)
 &rst
  ixpk= 426, nxpk= 10, iat=  -1,1701, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1655,1656,
 &end
#
# 108 ASP          HA  108 ASP          HN  3.80   (#   427:10  Preassigned   2.85, 2.89 A)
 &rst
  ixpk= 427, nxpk= 10, iat=1703,1701, r1= 0.00, r2= 1.80, r3= 3.80, r4= 4.55,  &end
#
# 109 ASN          HA  108 ASP          HN  6.00   (#   429:10  Preassigned   4.21, 4.61 A)
 &rst
  ixpk= 429, nxpk= 10, iat=1715,1701, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 107 TRP          HA  108 ASP          HN  5.50   (#   430:10  Preassigned   2.98, 3.26 A)
 &rst
  ixpk= 430, nxpk= 10, iat=1679,1701, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 106 HIS          HA  108 ASP          HN  6.00   (#   431:10  Preassigned   3.68, 4.02 A)
 &rst
  ixpk= 431, nxpk= 10, iat=1662,1701, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 106 HIS         HB-  108 ASP          HN  6.00   (#   432:10  Preassigned   4.65, 5.28 A)
 &rst
  ixpk= 432, nxpk= 10, iat=  -1,1701, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1664,1665,
 &end
#
# 110 GLU          HA  108 ASP          HN  5.50   (#   433:10  Preassigned   3.73, 4.41 A)
 &rst
  ixpk= 433, nxpk= 10, iat=1729,1701, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 111 CYS         HB-  108 ASP          HN  6.00   (#   434:10  Preassigned   4.78, 6.07 A)
 &rst
  ixpk= 434, nxpk= 10, iat=  -1,1701, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1746,1747,
 &end
#
# 107 TRP         HB+  108 ASP          HN  5.50   (#   435:10  Preassigned   2.70, 3.96 A)
 &rst
  ixpk= 435, nxpk= 10, iat=  -1,1701, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1681,1682,
 &end
#
# 111 CYS         HB+  108 ASP          HN  5.50   (#   436:10  Preassigned   4.78, 6.07 A)
 &rst
  ixpk= 436, nxpk= 10, iat=  -1,1701, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1746,1747,
 &end
#
# 108 ASP         HB+  108 ASP          HN  2.80   (#   437:10  Preassigned   2.46, 2.90 A)
 &rst
  ixpk= 437, nxpk= 10, iat=  -1,1701, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1705,1706,
 &end
#
#   0 AMB    10-2:438  108 ASP          HN  2.80   (#   438:10      Single   Ambig  )
 &rst
  ixpk= 438, nxpk= 10, iat=  -1,1701, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1705,1706,1681,1682,
 &end
#
# 106 HIS         HB+  108 ASP          HN  5.50   (#   439:10  Preassigned   4.65, 5.28 A)
 &rst
  ixpk= 439, nxpk= 10, iat=  -1,1701, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1664,1665,
 &end
#
# 105 GLY         HA-  108 ASP          HN  5.50   (#   440:10  Preassigned   2.71, 3.64 A)
 &rst
  ixpk= 440, nxpk= 10, iat=  -1,1701, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1655,1656,
 &end
#
# 145 GLU          HN  144 ALA          HN  4.00   (#   442:10  Preassigned   2.25, 2.83 A)
 &rst
  ixpk= 442, nxpk= 10, iat=2292,2282, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 143 ASN          HN  144 ALA          HN  4.00   (#   443:10  Preassigned   2.47, 2.74 A)
 &rst
  ixpk= 443, nxpk= 10, iat=2268,2282, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 142 LEU          HA  144 ALA          HN  5.50   (#   445:10  Preassigned   3.39, 4.15 A)
 &rst
  ixpk= 445, nxpk= 10, iat=2251,2282, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 141 ALA          HA  144 ALA          HN  5.50   (#   446:10  Preassigned   3.30, 3.54 A)
 &rst
  ixpk= 446, nxpk= 10, iat=2241,2282, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 143 ASN         HB+  144 ALA          HN  5.50   (#   447:10  Preassigned   2.31, 3.47 A)
 &rst
  ixpk= 447, nxpk= 10, iat=  -1,2282, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2272,2273,
 &end
#
# 143 ASN         HB-  144 ALA          HN  5.50   (#   448:10  Preassigned   2.31, 3.47 A)
 &rst
  ixpk= 448, nxpk= 10, iat=  -1,2282, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2272,2273,
 &end
#
# 144 ALA          MB  144 ALA          HN  4.00   (#   449:10  Preassigned   2.44, 3.10 A)
 &rst
  ixpk= 449, nxpk= 10, iat=  -1,2282, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=2286,2287,2288,
 &end
#
# 139 ALA          HN  141 ALA          HN  5.50   (#   450:10  Preassigned   4.12, 4.23 A)
 &rst
  ixpk= 450, nxpk= 10, iat=2212,2239, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 140 GLN         HG-  141 ALA          HN  6.00   (#   451:10  Preassigned   2.64, 3.99 A)
 &rst
  ixpk= 451, nxpk= 10, iat=  -1,2239, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=2229,2230,
 &end
#
# 121 ARG         HD+  121 ARG          HN  5.50   (#   452:10  Preassigned   2.98, 4.59 A)
 &rst
  ixpk= 452, nxpk= 10, iat=  -1,1905, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1915,1916,
 &end
#
# 122 GLU          HN  121 ARG          HN  5.50   (#   453:10  Preassigned   2.69, 2.87 A)
 &rst
  ixpk= 453, nxpk= 10, iat=1929,1905, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 120 SER          HN  121 ARG          HN  6.00   (#   454:10  Preassigned   4.57, 4.66 A)
 &rst
  ixpk= 454, nxpk= 10, iat=1894,1905, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 124 PHE          HD  121 ARG          HN  7.00   (#   455:10      Unique   4.50, 6.68 A)
 &rst
  ixpk= 455, nxpk= 10, iat=  -1,1905, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1966,1974,
 &end
#
#   0 AMB    10-2:457  121 ARG          HN  2.80   (#   457:10      Single   Ambig  )
 &rst
  ixpk= 457, nxpk= 10, iat=  -1,1905, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1896,1898,1899,
 &end
#
# 120 SER         HB+  121 ARG          HN  5.50   (#   458:10  Preassigned   2.53, 3.22 A)
 &rst
  ixpk= 458, nxpk= 10, iat=  -1,1905, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1898,1899,
 &end
#
# 121 ARG          HA  121 ARG          HN  5.50   (#   459:10  Preassigned   2.77, 2.82 A)
 &rst
  ixpk= 459, nxpk= 10, iat=1907,1905, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 121 ARG         HB-  121 ARG          HN  4.00   (#   460:10  Preassigned   2.34, 2.84 A)
 &rst
  ixpk= 460, nxpk= 10, iat=  -1,1905, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1909,1910,
 &end
#
# 121 ARG         HB+  121 ARG          HN  4.00   (#   461:10  Preassigned   2.34, 2.84 A)
 &rst
  ixpk= 461, nxpk= 10, iat=  -1,1905, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1909,1910,
 &end
#
# 121 ARG         HG+  121 ARG          HN  5.50   (#   462:10  Preassigned   2.13, 3.53 A)
 &rst
  ixpk= 462, nxpk= 10, iat=  -1,1905, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1912,1913,
 &end
#
#  48 THR         MG2  121 ARG          HN  5.50   (#   463:10  Preassigned   3.73, 4.42 A)
 &rst
  ixpk= 463, nxpk= 10, iat=  -1,1905, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 724, 725, 726,
 &end
#
# 139 ALA          HA  141 ALA          HN  5.50   (#   464:10  Preassigned   4.25, 4.42 A)
 &rst
  ixpk= 464, nxpk= 10, iat=2214,2239, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 140 GLN         HG+  141 ALA          HN  5.50   (#   465:10  Preassigned   2.64, 3.99 A)
 &rst
  ixpk= 465, nxpk= 10, iat=  -1,2239, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2229,2230,
 &end
#
# 142 LEU          HN  141 ALA          HN  4.00   (#   466:10  Preassigned   2.61, 2.73 A)
 &rst
  ixpk= 466, nxpk= 10, iat=2249,2239, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 140 GLN          HN  141 ALA          HN  4.00   (#   467:10  Preassigned   2.50, 2.71 A)
 &rst
  ixpk= 467, nxpk= 10, iat=2222,2239, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 138 TRP          HA  141 ALA          HN  5.50   (#   468:10  Preassigned   2.96, 3.08 A)
 &rst
  ixpk= 468, nxpk= 10, iat=2190,2239, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 140 GLN          HA  141 ALA          HN  5.50   (#   469:10  Preassigned   3.56, 3.59 A)
 &rst
  ixpk= 469, nxpk= 10, iat=2224,2239, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 141 ALA          HA  141 ALA          HN  4.00   (#   470:10      Single   Ambig  )
 &rst
  ixpk= 470, nxpk= 10, iat=2241,2239, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 140 GLN         HB-  141 ALA          HN  4.00   (#   471:10  Preassigned   2.66, 3.64 A)
 &rst
  ixpk= 471, nxpk= 10, iat=  -1,2239, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2226,2227,
 &end
#
#   0 AMB    10-2:472  141 ALA          HN  5.50   (#   472:10      Single   Ambig  )
 &rst
  ixpk= 472, nxpk= 10, iat=  -1,2239, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=2253,2254,2216,2217,2218,
 &end
#
#  38 GLY          HN   37 LEU          HN  4.00   (#   473:10  Preassigned   1.92, 2.53 A)
 &rst
  ixpk= 473, nxpk= 10, iat= 594, 575, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  36 GLY         HA-   37 LEU          HN  4.00   (#   475:10  Preassigned   2.14, 2.51 A)
 &rst
  ixpk= 475, nxpk= 10, iat=  -1, 575, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 570, 571,
 &end
#
#  37 LEU          HA   37 LEU          HN  4.00   (#   476:10  Preassigned   2.82, 2.89 A)
 &rst
  ixpk= 476, nxpk= 10, iat= 577, 575, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  36 GLY         HA+   37 LEU          HN  4.00   (#   478:10  Preassigned   2.14, 2.51 A)
 &rst
  ixpk= 478, nxpk= 10, iat=  -1, 575, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 570, 571,
 &end
#
#  37 LEU         HB-   37 LEU          HN  5.50   (#   480:10  Preassigned   2.14, 2.58 A)
 &rst
  ixpk= 480, nxpk= 10, iat=  -1, 575, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 579, 580,
 &end
#
#  37 LEU         HB+   37 LEU          HN  2.80   (#   481:10  Preassigned   2.14, 2.58 A)
 &rst
  ixpk= 481, nxpk= 10, iat=  -1, 575, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 579, 580,
 &end
#
#   8 VAL         MGX   37 LEU          HN  4.00   (#   482:10  Preassigned   2.95, 5.38 A)
 &rst
  ixpk= 482, nxpk= 10, iat=  -1, 575, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 129, 130, 131, 133, 134, 135,
 &end
#
#  37 LEU         MDX   37 LEU          HN  5.50   (#   483:10  Preassigned   2.41, 4.91 A)
 &rst
  ixpk= 483, nxpk= 10, iat=  -1, 575, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 584, 585, 586, 588, 589, 590,
 &end
#
#  37 LEU         MDY   37 LEU          HN  5.50   (#   484:10  Preassigned   2.41, 4.91 A)
 &rst
  ixpk= 484, nxpk= 10, iat=  -1, 575, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 584, 585, 586, 588, 589, 590,
 &end
#
#  55 GLU          HN   53 ALA          HN  5.50   (#   485:10  Preassigned   3.68, 4.06 A)
 &rst
  ixpk= 485, nxpk= 10, iat= 808, 788, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  56 HIS         HD2   53 ALA          HN  7.00   (#   486:10  Preassigned   4.11, 5.52 A)
 &rst
  ixpk= 486, nxpk= 10, iat= 836, 788, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
# 127 VAL          HN  128 TYR          HN  5.50   (#   487:10  Preassigned   2.72, 2.79 A)
 &rst
  ixpk= 487, nxpk= 10, iat=1998,2014, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    10-2:488  128 TYR          HN  5.50   (#   488:10      Single   Ambig  )
 &rst
  ixpk= 488, nxpk= 10, iat=  -1,2014, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1980,1990,
 &end
#
# 131 LEU         MDX  128 TYR          HN  7.00   (#   490:10  Preassigned   4.06, 5.89 A)
 &rst
  ixpk= 490, nxpk= 10, iat=  -1,2014, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=2077,2078,2079,2081,2082,2083,
 &end
#
#   0 AMB    10-2:491  128 TYR          HN  5.50   (#   491:10      Single   Ambig  )
 &rst
  ixpk= 491, nxpk= 10, iat=  -1,2014, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1978,2087,
 &end
#
#   0 AMB    10-2:492  128 TYR          HN  4.00   (#   492:10      Single   Ambig  )
 &rst
  ixpk= 492, nxpk= 10, iat=  -1,2014, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2035,1988,
 &end
#
# 128 TYR          HD  128 TYR          HN  5.50   (#   493:10  Preassigned   4.60, 4.75 A)
 &rst
  ixpk= 493, nxpk= 10, iat=  -1,2014, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2022,2031,
 &end
#
# 128 TYR          HA  128 TYR          HN  4.00   (#   494:10  Preassigned   2.78, 2.80 A)
 &rst
  ixpk= 494, nxpk= 10, iat=2016,2014, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 128 TYR         HB+  128 TYR          HN  4.00   (#   495:10  Preassigned   2.29, 2.51 A)
 &rst
  ixpk= 495, nxpk= 10, iat=  -1,2014, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2018,2019,
 &end
#
# 128 TYR         HB-  128 TYR          HN  4.00   (#   496:10  Preassigned   2.29, 2.51 A)
 &rst
  ixpk= 496, nxpk= 10, iat=  -1,2014, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2018,2019,
 &end
#
# 127 VAL          HB  128 TYR          HN  4.00   (#   497:10  Preassigned   2.71, 3.19 A)
 &rst
  ixpk= 497, nxpk= 10, iat=2002,2014, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 127 VAL         MGX  128 TYR          HN  4.00   (#   498:10  Preassigned   2.59, 4.49 A)
 &rst
  ixpk= 498, nxpk= 10, iat=  -1,2014, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=2004,2005,2006,2008,2009,2010,
 &end
#
#  54 ALA          HN   53 ALA          HN  4.00   (#   501:10  Preassigned   2.54, 2.68 A)
 &rst
  ixpk= 501, nxpk= 10, iat= 798, 788, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  52 VAL          HN   53 ALA          HN  4.00   (#   502:10  Preassigned   2.64, 2.72 A)
 &rst
  ixpk= 502, nxpk= 10, iat= 772, 788, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    10-2:504   53 ALA          HN  5.50   (#   504:10      Single   Ambig  )
 &rst
  ixpk= 504, nxpk= 10, iat=  -1, 788, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 734, 765, 766,
 &end
#
#  53 ALA          HA   53 ALA          HN  4.00   (#   505:10  Preassigned   2.85, 2.87 A)
 &rst
  ixpk= 505, nxpk= 10, iat= 790, 788, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  52 VAL          HA   53 ALA          HN  5.50   (#   506:10  Preassigned   3.52, 3.61 A)
 &rst
  ixpk= 506, nxpk= 10, iat= 774, 788, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  50 ILE          HA   53 ALA          HN  5.50   (#   507:10  Preassigned   3.63, 3.82 A)
 &rst
  ixpk= 507, nxpk= 10, iat= 744, 788, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  52 VAL          HB   53 ALA          HN  4.00   (#   508:10  Preassigned   2.64, 3.32 A)
 &rst
  ixpk= 508, nxpk= 10, iat= 776, 788, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  53 ALA          MB   53 ALA          HN  2.80   (#   509:10  Preassigned   2.36, 2.87 A)
 &rst
  ixpk= 509, nxpk= 10, iat=  -1, 788, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 792, 793, 794,
 &end
#
#  52 VAL         MGY   53 ALA          HN  4.00   (#   511:10  Preassigned   2.33, 4.36 A)
 &rst
  ixpk= 511, nxpk= 10, iat=  -1, 788, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 778, 779, 780, 782, 783, 784,
 &end
#
#  52 VAL         MGX   53 ALA          HN  5.50   (#   512:10  Preassigned   2.33, 4.36 A)
 &rst
  ixpk= 512, nxpk= 10, iat=  -1, 788, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 778, 779, 780, 782, 783, 784,
 &end
#
#  23 LEU          HN   22 LEU          HN  4.00   (#   522:10  Preassigned   2.61, 2.69 A)
 &rst
  ixpk= 522, nxpk= 10, iat= 348, 329, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  21 ARG          HA   22 LEU          HN  5.50   (#   523:10  Preassigned   3.55, 3.59 A)
 &rst
  ixpk= 523, nxpk= 10, iat= 307, 329, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  22 LEU          HA   22 LEU          HN  5.50   (#   524:10  Preassigned   2.86, 2.88 A)
 &rst
  ixpk= 524, nxpk= 10, iat= 331, 329, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  19 ALA          HA   22 LEU          HN  5.50   (#   525:10  Preassigned   3.37, 3.63 A)
 &rst
  ixpk= 525, nxpk= 10, iat= 282, 329, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  22 LEU          HG   22 LEU          HN  4.00   (#   527:10  Preassigned   2.45, 2.71 A)
 &rst
  ixpk= 527, nxpk= 10, iat= 336, 329, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  22 LEU         HB-   22 LEU          HN  4.00   (#   528:10  Preassigned   2.20, 2.94 A)
 &rst
  ixpk= 528, nxpk= 10, iat=  -1, 329, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 333, 334,
 &end
#
#  58 LEU         MDY   22 LEU          HN  5.50   (#   530:10  Preassigned   2.86, 4.94 A)
 &rst
  ixpk= 530, nxpk= 10, iat=  -1, 329, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
#   0 AMB    10-2:531   22 LEU          HN  5.50   (#   531:10      Single   Ambig  )
 &rst
  ixpk= 531, nxpk= 10, iat=  -1, 329, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
       901, 902,
 &end
#
#  22 LEU         HB+   22 LEU          HN  4.00   (#   532:10  Preassigned   2.20, 2.94 A)
 &rst
  ixpk= 532, nxpk= 10, iat=  -1, 329, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 333, 334,
 &end
#
#  21 ARG         HG-   22 LEU          HN  5.50   (#   533:10  Preassigned   4.38, 4.89 A)
 &rst
  ixpk= 533, nxpk= 10, iat=  -1, 329, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 312, 313,
 &end
#
#  22 LEU         MDY   22 LEU          HN  5.50   (#   535:10  Preassigned   2.77, 4.54 A)
 &rst
  ixpk= 535, nxpk= 10, iat=  -1, 329, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#  53 ALA          HN   54 ALA          HN  4.00   (#   537:10  Preassigned   2.54, 2.68 A)
 &rst
  ixpk= 537, nxpk= 10, iat= 788, 798, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    10-2:538   54 ALA          HN  5.50   (#   538:10      Single   Ambig  )
 &rst
  ixpk= 538, nxpk= 10, iat=  -1, 798, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 761, 840,
 &end
#
#  55 GLU          HN   54 ALA          HN  5.50   (#   539:10  Preassigned   2.76, 2.83 A)
 &rst
  ixpk= 539, nxpk= 10, iat= 808, 798, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  51 SER          HA   54 ALA          HN  5.50   (#   540:10  Preassigned   3.71, 4.13 A)
 &rst
  ixpk= 540, nxpk= 10, iat= 763, 798, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  54 ALA          HA   54 ALA          HN  4.00   (#   541:10  Preassigned   2.84, 2.86 A)
 &rst
  ixpk= 541, nxpk= 10, iat= 800, 798, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    10-2:542   54 ALA          HN  5.50   (#   542:10      Single   Ambig  )
 &rst
  ixpk= 542, nxpk= 10, iat=  -1, 798, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 774, 827, 828,
 &end
#
#  54 ALA          MB   54 ALA          HN  2.80   (#   543:10  Preassigned   2.54, 2.97 A)
 &rst
  ixpk= 543, nxpk= 10, iat=  -1, 798, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 802, 803, 804,
 &end
#
#  60 LEU          HG   54 ALA          HN  5.50   (#   544:10  Preassigned   4.02, 4.70 A)
 &rst
  ixpk= 544, nxpk= 10, iat= 894, 798, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    10-2:545   54 ALA          HN  5.50   (#   545:10      Single   Ambig  )
 &rst
  ixpk= 545, nxpk= 10, iat=  -1, 798, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 790, 810,
 &end
#
#  50 ILE          HA   54 ALA          HN  5.50   (#   546:10  Preassigned   3.12, 3.37 A)
 &rst
  ixpk= 546, nxpk= 10, iat= 744, 798, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  53 ALA          MB   54 ALA          HN  5.50   (#   547:10  Preassigned   2.42, 3.43 A)
 &rst
  ixpk= 547, nxpk= 10, iat=  -1, 798, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 792, 793, 794,
 &end
#
#  20 GLU          HN   19 ALA          HN  5.50   (#   555:10  Preassigned   2.77, 2.87 A)
 &rst
  ixpk= 555, nxpk= 10, iat= 290, 280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  59 SER          HN   58 LEU          HN  5.50   (#   556:10  Preassigned   2.50, 3.54 A)
 &rst
  ixpk= 556, nxpk= 10, iat= 876, 857, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  56 HIS         HB-   58 LEU          HN  5.50   (#   557:10  Preassigned   3.35, 4.14 A)
 &rst
  ixpk= 557, nxpk= 10, iat=  -1, 857, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 827, 828,
 &end
#
#  56 HIS         HB+   58 LEU          HN  5.50   (#   558:10  Preassigned   3.35, 4.14 A)
 &rst
  ixpk= 558, nxpk= 10, iat=  -1, 857, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 827, 828,
 &end
#
#  54 ALA          MB   58 LEU          HN  5.50   (#   559:10  Preassigned   4.78, 5.27 A)
 &rst
  ixpk= 559, nxpk= 10, iat=  -1, 857, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 802, 803, 804,
 &end
#
#   0 AMB    10-2:560   58 LEU          HN  5.50   (#   560:10      Single   Ambig  )
 &rst
  ixpk= 560, nxpk= 10, iat=  -1, 857, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
       901, 902,
 &end
#
#  54 ALA          HN   58 LEU          HN  5.50   (#   561:10  Preassigned   4.36, 4.53 A)
 &rst
  ixpk= 561, nxpk= 10, iat= 798, 857, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  56 HIS          HN   58 LEU          HN  5.50   (#   562:10  Preassigned   3.32, 3.73 A)
 &rst
  ixpk= 562, nxpk= 10, iat= 823, 857, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  58 LEU          HA   58 LEU          HN  4.00   (#   563:10  Preassigned   2.85, 2.95 A)
 &rst
  ixpk= 563, nxpk= 10, iat= 859, 857, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  54 ALA          HA   58 LEU          HN  4.00   (#   564:10  Preassigned   2.49, 2.74 A)
 &rst
  ixpk= 564, nxpk= 10, iat= 800, 857, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  53 ALA          HA   58 LEU          HN  5.50   (#   565:10  Preassigned   4.00, 4.17 A)
 &rst
  ixpk= 565, nxpk= 10, iat= 790, 857, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  57 GLN          HA   58 LEU          HN  4.00   (#   566:10  Preassigned   2.56, 2.76 A)
 &rst
  ixpk= 566, nxpk= 10, iat= 842, 857, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    10-2:567   58 LEU          HN  5.50   (#   567:10      Single   Ambig  )
 &rst
  ixpk= 567, nxpk= 10, iat=  -1, 857, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 844, 845, 847, 848,
 &end
#
#  58 LEU         HB+   58 LEU          HN  4.00   (#   568:10  Preassigned   2.19, 2.82 A)
 &rst
  ixpk= 568, nxpk= 10, iat=  -1, 857, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 861, 862,
 &end
#
#  53 ALA          MB   58 LEU          HN  5.50   (#   569:10  Preassigned   3.81, 4.86 A)
 &rst
  ixpk= 569, nxpk= 10, iat=  -1, 857, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 792, 793, 794,
 &end
#
#  58 LEU         HB-   58 LEU          HN  4.00   (#   570:10  Preassigned   2.19, 2.82 A)
 &rst
  ixpk= 570, nxpk= 10, iat=  -1, 857, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 861, 862,
 &end
#
#  58 LEU         MDX   58 LEU          HN  5.50   (#   571:10  Preassigned   3.74, 5.32 A)
 &rst
  ixpk= 571, nxpk= 10, iat=  -1, 857, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
#  58 LEU         MDY   58 LEU          HN  5.50   (#   572:10  Preassigned   3.74, 5.32 A)
 &rst
  ixpk= 572, nxpk= 10, iat=  -1, 857, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
#  68 ILE          HN   39 ALA          HN  5.50   (#   573:10  Preassigned   3.83, 4.24 A)
 &rst
  ixpk= 573, nxpk= 10, iat=1007, 601, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  36 GLY         HA-   39 ALA          HN  6.00   (#   574:10  Preassigned   3.37, 4.30 A)
 &rst
  ixpk= 574, nxpk= 10, iat=  -1, 601, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 570, 571,
 &end
#
#  37 LEU          HN   39 ALA          HN  5.50   (#   575:10  Preassigned   3.69, 4.28 A)
 &rst
  ixpk= 575, nxpk= 10, iat= 575, 601, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 131 LEU          HN  132 GLU          HN  4.00   (#   577:10  Preassigned   2.61, 2.76 A)
 &rst
  ixpk= 577, nxpk= 10, iat=2068,2087, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 134 SER          HN  132 GLU          HN  6.00   (#   578:10  Preassigned   3.95, 4.18 A)
 &rst
  ixpk= 578, nxpk= 10, iat=2126,2087, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 133 ARG          HN  132 GLU          HN  4.00   (#   579:10  Preassigned   2.55, 2.68 A)
 &rst
  ixpk= 579, nxpk= 10, iat=2102,2087, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 128 TYR          HD  132 GLU          HN  5.50   (#   580:10  Preassigned   3.67, 5.59 A)
 &rst
  ixpk= 580, nxpk= 10, iat=  -1,2087, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2022,2031,
 &end
#
#   0 AMB    10-2:581  132 GLU          HN  5.50   (#   581:10      Single   Ambig  )
 &rst
  ixpk= 581, nxpk= 10, iat=  -1,2087, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2070,2051,
 &end
#
# 132 GLU          HA  132 GLU          HN  4.00   (#   582:10  Preassigned   2.88, 2.92 A)
 &rst
  ixpk= 582, nxpk= 10, iat=2089,2087, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 128 TYR          HA  132 GLU          HN  5.50   (#   583:10  Preassigned   3.90, 4.02 A)
 &rst
  ixpk= 583, nxpk= 10, iat=2016,2087, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 132 GLU         HG+  132 GLU          HN  5.50   (#   584:10  Preassigned   4.35, 4.51 A)
 &rst
  ixpk= 584, nxpk= 10, iat=  -1,2087, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2094,2095,
 &end
#
# 132 GLU         HG-  132 GLU          HN  5.50   (#   585:10  Preassigned   4.35, 4.51 A)
 &rst
  ixpk= 585, nxpk= 10, iat=  -1,2087, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2094,2095,
 &end
#
# 132 GLU         HB+  132 GLU          HN  2.80   (#   586:10  Preassigned   2.33, 2.54 A)
 &rst
  ixpk= 586, nxpk= 10, iat=  -1,2087, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2091,2092,
 &end
#
# 131 LEU         HB-  132 GLU          HN  4.00   (#   587:10  Preassigned   2.75, 4.02 A)
 &rst
  ixpk= 587, nxpk= 10, iat=  -1,2087, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2072,2073,
 &end
#
# 132 GLU         HB-  132 GLU          HN  4.00   (#   588:10  Preassigned   2.33, 2.54 A)
 &rst
  ixpk= 588, nxpk= 10, iat=  -1,2087, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2091,2092,
 &end
#
#   0 AMB    10-2:589  132 GLU          HN  5.50   (#   589:10      Single   Ambig  )
 &rst
  ixpk= 589, nxpk= 10, iat=  -1,2087, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2109,2110,2053,2054,
 &end
#
#  22 LEU         MDX  132 GLU          HN  5.50   (#   590:10  Preassigned   3.10, 5.49 A)
 &rst
  ixpk= 590, nxpk= 10, iat=  -1,2087, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
# 131 LEU         HB+  132 GLU          HN  5.50   (#   591:10  Preassigned   2.75, 4.02 A)
 &rst
  ixpk= 591, nxpk= 10, iat=  -1,2087, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2072,2073,
 &end
#
#  22 LEU         MDY  132 GLU          HN  5.50   (#   592:10  Preassigned   3.10, 5.49 A)
 &rst
  ixpk= 592, nxpk= 10, iat=  -1,2087, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
# 130 LEU          HN  132 GLU          HN  5.50   (#   593:10  Preassigned   3.84, 3.94 A)
 &rst
  ixpk= 593, nxpk= 10, iat=2049,2087, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 128 TYR          HE  132 GLU          HN  7.00   (#   594:10  Preassigned   4.95, 6.32 A)
 &rst
  ixpk= 594, nxpk= 10, iat=  -1,2087, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=2024,2029,
 &end
#
#  18 THR          HN   19 ALA          HN  4.00   (#   599:10  Preassigned   2.62, 2.73 A)
 &rst
  ixpk= 599, nxpk= 10, iat= 266, 280, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  18 THR          HB   19 ALA          HN  4.00   (#   601:10  Preassigned   2.39, 2.49 A)
 &rst
  ixpk= 601, nxpk= 10, iat= 270, 280, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  16 SER          HA   19 ALA          HN  5.50   (#   602:10  Preassigned   3.14, 3.42 A)
 &rst
  ixpk= 602, nxpk= 10, iat= 243, 280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  19 ALA          HA   19 ALA          HN  4.00   (#   603:10  Preassigned   2.80, 2.84 A)
 &rst
  ixpk= 603, nxpk= 10, iat= 282, 280, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    10-2:604   19 ALA          HN  5.50   (#   604:10      Single   Ambig  )
 &rst
  ixpk= 604, nxpk= 10, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 272, 273, 274, 333, 334,
 &end
#
# 131 LEU         MDX   19 ALA          HN  5.50   (#   605:10  Preassigned   2.91, 4.76 A)
 &rst
  ixpk= 605, nxpk= 10, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2077,2078,2079,2081,2082,2083,
 &end
#
#  19 ALA          MB   19 ALA          HN  4.00   (#   606:10  Preassigned   2.25, 2.85 A)
 &rst
  ixpk= 606, nxpk= 10, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 284, 285, 286,
 &end
#
#   0 AMB    10-2:607   19 ALA          HN  5.50   (#   607:10      Single   Ambig  )
 &rst
  ixpk= 607, nxpk= 10, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 113, 114, 115, 117, 118, 119, 259, 260,
 &end
#
#  22 LEU         MDY   19 ALA          HN  6.00   (#   608:10  Preassigned   4.13, 6.72 A)
 &rst
  ixpk= 608, nxpk= 10, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#  38 GLY          HN   39 ALA          HN  4.00   (#   610:10  Preassigned   2.72, 2.91 A)
 &rst
  ixpk= 610, nxpk= 10, iat= 594, 601, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  38 GLY         HA-   39 ALA          HN  5.50   (#   611:10  Preassigned   2.46, 3.09 A)
 &rst
  ixpk= 611, nxpk= 10, iat=  -1, 601, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 596, 597,
 &end
#
#  39 ALA          HA   39 ALA          HN  4.00   (#   612:10  Preassigned   2.69, 2.78 A)
 &rst
  ixpk= 612, nxpk= 10, iat= 603, 601, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  38 GLY         HA+   39 ALA          HN  5.50   (#   613:10  Preassigned   2.46, 3.09 A)
 &rst
  ixpk= 613, nxpk= 10, iat=  -1, 601, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 596, 597,
 &end
#
#  67 GLN         HB+   39 ALA          HN  5.50   (#   614:10  Preassigned   3.38, 4.52 A)
 &rst
  ixpk= 614, nxpk= 10, iat=  -1, 601, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 994, 995,
 &end
#
#  39 ALA          MB   39 ALA          HN  4.00   (#   615:10  Preassigned   2.28, 2.86 A)
 &rst
  ixpk= 615, nxpk= 10, iat=  -1, 601, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 605, 606, 607,
 &end
#
#  36 GLY          HN   39 ALA          HN  5.50   (#   616:10  Preassigned   3.96, 4.37 A)
 &rst
  ixpk= 616, nxpk= 10, iat= 568, 601, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  67 GLN        HE2-   39 ALA          HN  6.00   (#   617:10  Preassigned   3.44, 4.56 A)
 &rst
  ixpk= 617, nxpk= 10, iat=  -1, 601, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1002,1003,
 &end
#
#  67 GLN          HA   39 ALA          HN  5.50   (#   618:10  Preassigned   2.72, 3.08 A)
 &rst
  ixpk= 618, nxpk= 10, iat= 992, 601, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  89 ARG          HN   90 LEU          HN  5.50   (#   629:10  Preassigned   2.52, 2.68 A)
 &rst
  ixpk= 629, nxpk= 10, iat=1386,1410, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  90 LEU          HA   90 LEU          HN  4.00   (#   630:10  Preassigned   2.81, 2.84 A)
 &rst
  ixpk= 630, nxpk= 10, iat=1412,1410, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  91 CYS         HB+   90 LEU          HN  7.00   (#   631:10  Preassigned   4.98, 5.61 A)
 &rst
  ixpk= 631, nxpk= 10, iat=  -1,1410, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1433,1434,
 &end
#
#  90 LEU         HB-   90 LEU          HN  4.00   (#   632:10  Preassigned   2.13, 2.66 A)
 &rst
  ixpk= 632, nxpk= 10, iat=  -1,1410, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1414,1415,
 &end
#
#  90 LEU         MDY   90 LEU          HN  5.50   (#   633:10  Preassigned   2.63, 4.87 A)
 &rst
  ixpk= 633, nxpk= 10, iat=  -1,1410, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1419,1420,1421,1423,1424,1425,
 &end
#
#  90 LEU         MDX   90 LEU          HN  5.50   (#   634:10  Preassigned   2.63, 4.87 A)
 &rst
  ixpk= 634, nxpk= 10, iat=  -1,1410, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1419,1420,1421,1423,1424,1425,
 &end
#
# 147 VAL          HN  146 GLN          HN  5.50   (#   635:10  Preassigned   2.64, 4.23 A)
 &rst
  ixpk= 635, nxpk= 10, iat=2324,2307, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 146 GLN          HA  146 GLN          HN  2.80   (#   636:10  Preassigned   2.20, 2.72 A)
 &rst
  ixpk= 636, nxpk= 10, iat=2309,2307, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
# 145 GLU          HA  146 GLN          HN  2.80   (#   637:10  Preassigned   2.29, 2.99 A)
 &rst
  ixpk= 637, nxpk= 10, iat=2294,2307, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   0 AMB    10-2:638  146 GLN          HN  2.80   (#   638:10      Single   Ambig  )
 &rst
  ixpk= 638, nxpk= 10, iat=  -1,2307, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2296,2297,2311,2312,
 &end
#
#  65 ALA          HN   43 LYS          HN  5.50   (#   639:10  Preassigned   3.68, 3.82 A)
 &rst
  ixpk= 639, nxpk= 10, iat= 956, 653, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  42 GLY          HN   43 LYS          HN  4.00   (#   640:10  Preassigned   2.42, 2.76 A)
 &rst
  ixpk= 640, nxpk= 10, iat= 646, 653, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  44 GLY          HN   43 LYS          HN  5.50   (#   641:10  Preassigned   2.67, 4.37 A)
 &rst
  ixpk= 641, nxpk= 10, iat= 675, 653, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  43 LYS          HA   43 LYS          HN  5.50   (#   642:10  Preassigned   2.84, 2.88 A)
 &rst
  ixpk= 642, nxpk= 10, iat= 655, 653, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  42 GLY         HA-   43 LYS          HN  5.50   (#   643:10  Preassigned   2.98, 3.34 A)
 &rst
  ixpk= 643, nxpk= 10, iat=  -1, 653, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 648, 649,
 &end
#
#  43 LYS         HB+   43 LYS          HN  4.00   (#   644:10  Preassigned   2.22, 2.55 A)
 &rst
  ixpk= 644, nxpk= 10, iat=  -1, 653, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 657, 658,
 &end
#
#  43 LYS         HB-   43 LYS          HN  5.50   (#   645:10  Preassigned   2.22, 2.55 A)
 &rst
  ixpk= 645, nxpk= 10, iat=  -1, 653, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 657, 658,
 &end
#
#   0 AMB    10-2:647   43 LYS          HN  5.50   (#   647:10      Single   Ambig  )
 &rst
  ixpk= 647, nxpk= 10, iat=  -1, 653, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 663, 664, 663, 664,
 &end
#
#  65 ALA          MB   43 LYS          HN  4.00   (#   649:10  Preassigned   2.20, 3.28 A)
 &rst
  ixpk= 649, nxpk= 10, iat=  -1, 653, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 960, 961, 962,
 &end
#
# 133 ARG          HN  131 LEU          HN  6.00   (#   651:10  Preassigned   4.31, 4.46 A)
 &rst
  ixpk= 651, nxpk= 10, iat=2102,2068, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   0 AMB    10-2:652  131 LEU          HN  5.50   (#   652:10      Single   Ambig  )
 &rst
  ixpk= 652, nxpk= 10, iat=  -1,2068, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2070,2051,
 &end
#
# 132 GLU          HN  131 LEU          HN  4.00   (#   653:10  Preassigned   2.61, 2.76 A)
 &rst
  ixpk= 653, nxpk= 10, iat=2087,2068, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 130 LEU          HN  131 LEU          HN  4.00   (#   654:10  Preassigned   2.64, 2.85 A)
 &rst
  ixpk= 654, nxpk= 10, iat=2049,2068, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 128 TYR          HA  131 LEU          HN  5.50   (#   655:10  Preassigned   3.36, 3.69 A)
 &rst
  ixpk= 655, nxpk= 10, iat=2016,2068, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 130 LEU         HB+  131 LEU          HN  5.50   (#   656:10  Preassigned   2.23, 3.27 A)
 &rst
  ixpk= 656, nxpk= 10, iat=  -1,2068, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2053,2054,
 &end
#
# 131 LEU          HG  131 LEU          HN  4.00   (#   658:10  Preassigned   2.10, 2.37 A)
 &rst
  ixpk= 658, nxpk= 10, iat=2075,2068, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 131 LEU         HB-  131 LEU          HN  4.00   (#   659:10      Unique   2.27, 3.18 A)
 &rst
  ixpk= 659, nxpk= 10, iat=  -1,2068, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2072,2073,
 &end
#
#  22 LEU         MDY  131 LEU          HN  6.00   (#   661:10  Preassigned   5.18, 7.59 A)
 &rst
  ixpk= 661, nxpk= 10, iat=  -1,2068, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   0 AMB    10-2:662    0 AMB    10-1:662  5.50   (#   662:10      Double   Ambig  )
 &rst
  ixpk= 662, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1440,2268,
 igr2=1410,2307,
 &end
#
#  87 ILE          HA   90 LEU          HN  5.50   (#   663:10  Preassigned   3.73, 4.14 A)
 &rst
  ixpk= 663, nxpk= 10, iat=1354,1410, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  90 LEU          HG   90 LEU          HN  5.50   (#   665:10  Preassigned   2.50, 3.86 A)
 &rst
  ixpk= 665, nxpk= 10, iat=1417,1410, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  37 LEU         MDX   90 LEU          HN  5.50   (#   666:10  Preassigned   2.34, 4.82 A)
 &rst
  ixpk= 666, nxpk= 10, iat=  -1,1410, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 584, 585, 586, 588, 589, 590,
 &end
#
#  65 ALA          HA   43 LYS          HN  6.00   (#   667:10  Preassigned   5.14, 5.39 A)
 &rst
  ixpk= 667, nxpk= 10, iat= 958, 653, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  41 VAL          HA   43 LYS          HN  5.50   (#   669:10  Preassigned   3.47, 3.67 A)
 &rst
  ixpk= 669, nxpk= 10, iat= 632, 653, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  29 GLU         HG+   30 LEU          HN  5.50   (#   670:10  Preassigned   3.30, 4.65 A)
 &rst
  ixpk= 670, nxpk= 10, iat=  -1, 475, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 467, 468,
 &end
#
#  65 ALA          HN   66 ARG          HN  5.50   (#   671:10  Preassigned   4.46, 4.55 A)
 &rst
  ixpk= 671, nxpk= 10, iat= 956, 966, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    10-2:672   66 ARG          HN  5.50   (#   672:10      Single   Ambig  )
 &rst
  ixpk= 672, nxpk= 10, iat=  -1, 966, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 611, 938,
 &end
#
#  41 VAL          HN   66 ARG          HN  5.50   (#   673:10  Preassigned   5.18, 5.51 A)
 &rst
  ixpk= 673, nxpk= 10, iat= 630, 966, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    10-2:674   66 ARG          HN  4.00   (#   674:10      Single   Ambig  )
 &rst
  ixpk= 674, nxpk= 10, iat=  -1, 966, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 958, 560,
 &end
#
#  66 ARG         HD-   66 ARG          HN  5.50   (#   675:10  Preassigned   2.25, 4.07 A)
 &rst
  ixpk= 675, nxpk= 10, iat=  -1, 966, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 976, 977,
 &end
#
#   0 AMB    10-2:676   66 ARG          HN  7.00   (#   676:10      Single   Ambig  )
 &rst
  ixpk= 676, nxpk= 10, iat=  -1, 966, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 570, 571, 632,
 &end
#
#  66 ARG         HB+   66 ARG          HN  5.50   (#   677:10  Preassigned   2.98, 3.69 A)
 &rst
  ixpk= 677, nxpk= 10, iat=  -1, 966, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 970, 971,
 &end
#
#  66 ARG         HG+   66 ARG          HN  4.00   (#   678:10  Preassigned   2.29, 3.55 A)
 &rst
  ixpk= 678, nxpk= 10, iat=  -1, 966, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 973, 974,
 &end
#
#  66 ARG         HG-   66 ARG          HN  5.50   (#   679:10  Preassigned   2.29, 3.55 A)
 &rst
  ixpk= 679, nxpk= 10, iat=  -1, 966, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 973, 974,
 &end
#
#  40 LEU         HB-   66 ARG          HN  6.00   (#   680:10  Preassigned   6.41, 7.29 A)
 &rst
  ixpk= 680, nxpk= 10, iat=  -1, 966, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 615, 616,
 &end
#
#  65 ALA          MB   66 ARG          HN  4.00   (#   681:10  Preassigned   2.84, 3.90 A)
 &rst
  ixpk= 681, nxpk= 10, iat=  -1, 966, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 960, 961, 962,
 &end
#
#  36 GLY          HN   66 ARG          HN  5.50   (#   682:10  Preassigned   2.78, 3.33 A)
 &rst
  ixpk= 682, nxpk= 10, iat= 568, 966, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  66 ARG          HA   66 ARG          HN  5.50   (#   683:10  Preassigned   2.85, 2.90 A)
 &rst
  ixpk= 683, nxpk= 10, iat= 968, 966, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  58 LEU          HA   59 SER          HN  4.00   (#   684:10  Preassigned   2.16, 2.44 A)
 &rst
  ixpk= 684, nxpk= 10, iat= 859, 876, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  59 SER          HA   59 SER          HN  4.00   (#   685:10  Preassigned   2.33, 2.78 A)
 &rst
  ixpk= 685, nxpk= 10, iat= 878, 876, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    10-2:686   59 SER          HN  2.80   (#   686:10      Single   Ambig  )
 &rst
  ixpk= 686, nxpk= 10, iat=  -1, 876, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 880, 881, 880, 881,
 &end
#
#  58 LEU         HB-   59 SER          HN  4.00   (#   687:10      Unique   3.02, 4.38 A)
 &rst
  ixpk= 687, nxpk= 10, iat=  -1, 876, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 861, 862,
 &end
#
#   0 AMB    10-2:688    0 AMB    10-1:688  4.00   (#   688:10      Double   Ambig  )
 &rst
  ixpk= 688, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
 igr1=2072,2073, 866, 867, 868, 870, 871, 872,
 igr2=2068, 876,
 &end
#
#   0 AMB    10-2:689   59 SER          HN  5.50   (#   689:10      Single   Ambig  )
 &rst
  ixpk= 689, nxpk= 10, iat=  -1, 876, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
       901, 902,
 &end
#
#  45 ALA          HA   46 ASP          HN  4.00   (#   693:10  Preassigned   2.22, 2.32 A)
 &rst
  ixpk= 693, nxpk= 10, iat= 684, 692, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  46 ASP         HB+   46 ASP          HN  4.00   (#   694:10  Preassigned   2.41, 2.55 A)
 &rst
  ixpk= 694, nxpk= 10, iat=  -1, 692, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 696, 697,
 &end
#
#  46 ASP         HB-   46 ASP          HN  2.80   (#   695:10  Preassigned   2.41, 2.55 A)
 &rst
  ixpk= 695, nxpk= 10, iat=  -1, 692, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 696, 697,
 &end
#
#  45 ALA          MB   46 ASP          HN  4.00   (#   697:10  Preassigned   2.11, 3.64 A)
 &rst
  ixpk= 697, nxpk= 10, iat=  -1, 692, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 686, 687, 688,
 &end
#
# 125 ALA          HN  124 PHE          HN  5.50   (#   709:10  Preassigned   2.67, 2.79 A)
 &rst
  ixpk= 709, nxpk= 10, iat=1978,1958, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 124 PHE          HD  124 PHE          HN  4.00   (#   710:10  Preassigned   2.46, 4.03 A)
 &rst
  ixpk= 710, nxpk= 10, iat=  -1,1958, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1966,1974,
 &end
#
# 123 THR          HB  124 PHE          HN  4.00   (#   711:10  Preassigned   2.56, 2.64 A)
 &rst
  ixpk= 711, nxpk= 10, iat=1948,1958, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 124 PHE          HA  124 PHE          HN  4.00   (#   713:10  Preassigned   2.81, 2.85 A)
 &rst
  ixpk= 713, nxpk= 10, iat=1960,1958, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 124 PHE         HB-  124 PHE          HN  5.50   (#   714:10  Preassigned   2.07, 2.81 A)
 &rst
  ixpk= 714, nxpk= 10, iat=  -1,1958, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1962,1963,
 &end
#
# 124 PHE         HB+  124 PHE          HN  5.50   (#   718:10  Preassigned   2.07, 2.81 A)
 &rst
  ixpk= 718, nxpk= 10, iat=  -1,1958, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1962,1963,
 &end
#
# 121 ARG         HB+  124 PHE          HN  6.00   (#   720:10  Preassigned   4.57, 5.30 A)
 &rst
  ixpk= 720, nxpk= 10, iat=  -1,1958, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1909,1910,
 &end
#
# 129 THR          HN  130 LEU          HN  4.00   (#   721:10  Preassigned   2.72, 2.75 A)
 &rst
  ixpk= 721, nxpk= 10, iat=2035,2049, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 129 THR          HA  130 LEU          HN  5.50   (#   722:10  Preassigned   3.56, 3.58 A)
 &rst
  ixpk= 722, nxpk= 10, iat=2037,2049, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 127 VAL          HA  130 LEU          HN  5.50   (#   723:10  Preassigned   3.01, 3.27 A)
 &rst
  ixpk= 723, nxpk= 10, iat=2000,2049, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 129 THR         MG2  130 LEU          HN  5.50   (#   724:10  Preassigned   3.85, 4.60 A)
 &rst
  ixpk= 724, nxpk= 10, iat=  -1,2049, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=2041,2042,2043,
 &end
#
#   0 AMB    10-2:725    0 AMB    10-1:725  2.80   (#   725:10      Double   Ambig  )
 &rst
  ixpk= 725, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1530,2051,
 igr2=1528,2049,
 &end
#
#  91 CYS          HA   98 ARG          HN  5.50   (#   726:10  Preassigned   3.88, 4.25 A)
 &rst
  ixpk= 726, nxpk= 10, iat=1431,1528, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  98 ARG         HB-   98 ARG          HN  2.80   (#   727:10      Unique   2.28, 3.03 A)
 &rst
  ixpk= 727, nxpk= 10, iat=  -1,1528, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1532,1533,
 &end
#
#  98 ARG         HG+   98 ARG          HN  5.50   (#   728:10  Preassigned   2.25, 3.65 A)
 &rst
  ixpk= 728, nxpk= 10, iat=  -1,1528, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1535,1536,
 &end
#
#  96 GLU          HN   98 ARG          HN  5.50   (#   729:10  Preassigned   3.27, 4.27 A)
 &rst
  ixpk= 729, nxpk= 10, iat=1496,1528, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  99 GLY          HN   98 ARG          HN  5.50   (#   730:10  Preassigned   2.91, 3.97 A)
 &rst
  ixpk= 730, nxpk= 10, iat=1552,1528, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  97 MET          HN   98 ARG          HN  2.80   (#   731:10  Preassigned   1.96, 2.35 A)
 &rst
  ixpk= 731, nxpk= 10, iat=1511,1528, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  97 MET          HA   98 ARG          HN  4.00   (#   732:10  Preassigned   3.21, 3.35 A)
 &rst
  ixpk= 732, nxpk= 10, iat=1513,1528, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  95 PRO          HA   98 ARG          HN  5.50   (#   733:10  Preassigned   3.00, 3.27 A)
 &rst
  ixpk= 733, nxpk= 10, iat=1492,1528, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  98 ARG         HD-   98 ARG          HN  7.00   (#   734:10  Preassigned   2.35, 3.52 A)
 &rst
  ixpk= 734, nxpk= 10, iat=  -1,1528, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1538,1539,
 &end
#
#  98 ARG         HB+   98 ARG          HN  2.80   (#   736:10  Preassigned   2.28, 3.03 A)
 &rst
  ixpk= 736, nxpk= 10, iat=  -1,1528, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1532,1533,
 &end
#
#  29 GLU          HN   30 LEU          HN  4.00   (#   738:10  Preassigned   2.19, 2.61 A)
 &rst
  ixpk= 738, nxpk= 10, iat= 460, 475, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    10-2:739   30 LEU          HN  5.50   (#   739:10      Single   Ambig  )
 &rst
  ixpk= 739, nxpk= 10, iat=  -1, 475, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 494, 429,
 &end
#
#  30 LEU          HA   30 LEU          HN  5.50   (#   740:10  Preassigned   2.92, 2.98 A)
 &rst
  ixpk= 740, nxpk= 10, iat= 477, 475, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  29 GLU          HA   30 LEU          HN  5.50   (#   741:10  Preassigned   2.58, 3.28 A)
 &rst
  ixpk= 741, nxpk= 10, iat= 462, 475, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  29 GLU         HB-   30 LEU          HN  4.00   (#   743:10  Preassigned   3.07, 4.22 A)
 &rst
  ixpk= 743, nxpk= 10, iat=  -1, 475, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 464, 465,
 &end
#
#  30 LEU         HB-   30 LEU          HN  4.00   (#   744:10  Preassigned   2.34, 2.90 A)
 &rst
  ixpk= 744, nxpk= 10, iat=  -1, 475, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 479, 480,
 &end
#
#  30 LEU         HB+   30 LEU          HN  2.80   (#   745:10  Preassigned   2.34, 2.90 A)
 &rst
  ixpk= 745, nxpk= 10, iat=  -1, 475, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 479, 480,
 &end
#
#  30 LEU         MDY   30 LEU          HN  4.00   (#   746:10  Preassigned   3.09, 4.98 A)
 &rst
  ixpk= 746, nxpk= 10, iat=  -1, 475, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 484, 485, 486, 488, 489, 490,
 &end
#
#  30 LEU         MDX   30 LEU          HN  5.50   (#   747:10  Preassigned   3.09, 4.98 A)
 &rst
  ixpk= 747, nxpk= 10, iat=  -1, 475, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 484, 485, 486, 488, 489, 490,
 &end
#
#  27 HIS          HA   30 LEU          HN  6.00   (#   748:10  Preassigned   4.19, 4.64 A)
 &rst
  ixpk= 748, nxpk= 10, iat= 431, 475, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  48 THR         MG2  124 PHE          HN  6.00   (#   749:10  Preassigned   4.32, 5.25 A)
 &rst
  ixpk= 749, nxpk= 10, iat=  -1,1958, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 724, 725, 726,
 &end
#
#  35 ALA          MB   66 ARG          HN  6.00   (#   751:10  Preassigned   3.89, 4.98 A)
 &rst
  ixpk= 751, nxpk= 10, iat=  -1, 966, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 562, 563, 564,
 &end
#
#  39 ALA          MB   66 ARG          HN  5.50   (#   752:10  Preassigned   2.30, 3.21 A)
 &rst
  ixpk= 752, nxpk= 10, iat=  -1, 966, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 605, 606, 607,
 &end
#
# 136 ARG          HA  138 TRP          HN  5.50   (#   754:10  Preassigned   4.45, 4.63 A)
 &rst
  ixpk= 754, nxpk= 10, iat=2149,2188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 136 ARG          HN  138 TRP          HN  5.50   (#   755:10  Preassigned   4.21, 4.34 A)
 &rst
  ixpk= 755, nxpk= 10, iat=2147,2188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 137 GLN          HN  138 TRP          HN  4.00   (#   756:10  Preassigned   2.76, 2.81 A)
 &rst
  ixpk= 756, nxpk= 10, iat=2171,2188, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 140 GLN          HN  138 TRP          HN  6.00   (#   757:10  Preassigned   4.07, 4.14 A)
 &rst
  ixpk= 757, nxpk= 10, iat=2222,2188, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 138 TRP         HD1  138 TRP          HN  5.50   (#   758:10  Preassigned   2.95, 3.40 A)
 &rst
  ixpk= 758, nxpk= 10, iat=2196,2188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 107 TRP         HD1  138 TRP          HN  5.50   (#   759:10  Preassigned   3.38, 3.87 A)
 &rst
  ixpk= 759, nxpk= 10, iat=1685,2188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 134 SER          HA  138 TRP          HN  5.50   (#   760:10  Preassigned   3.71, 3.89 A)
 &rst
  ixpk= 760, nxpk= 10, iat=2128,2188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 138 TRP          HA  138 TRP          HN  4.00   (#   761:10  Preassigned   2.83, 2.86 A)
 &rst
  ixpk= 761, nxpk= 10, iat=2190,2188, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 135 ALA          HA  138 TRP          HN  5.50   (#   762:10  Preassigned   3.22, 3.33 A)
 &rst
  ixpk= 762, nxpk= 10, iat=2139,2188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    10-2:763  138 TRP          HN  7.00   (#   763:10      Single   Ambig  )
 &rst
  ixpk= 763, nxpk= 10, iat=  -1,2188, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=2214,2104,
 &end
#
# 137 GLN          HA  138 TRP          HN  5.50   (#   764:10  Preassigned   3.62, 3.64 A)
 &rst
  ixpk= 764, nxpk= 10, iat=2173,2188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 138 TRP         HB+  138 TRP          HN  2.80   (#   766:10  Preassigned   2.15, 2.92 A)
 &rst
  ixpk= 766, nxpk= 10, iat=  -1,2188, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2192,2193,
 &end
#
# 138 TRP         HB-  138 TRP          HN  4.00   (#   767:10      Unique   2.15, 2.92 A)
 &rst
  ixpk= 767, nxpk= 10, iat=  -1,2188, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2192,2193,
 &end
#
# 137 GLN         HG+  138 TRP          HN  5.50   (#   768:10  Preassigned   4.61, 4.80 A)
 &rst
  ixpk= 768, nxpk= 10, iat=  -1,2188, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2178,2179,
 &end
#
# 137 GLN         HB-  138 TRP          HN  4.00   (#   769:10  Preassigned   2.58, 3.18 A)
 &rst
  ixpk= 769, nxpk= 10, iat=  -1,2188, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2175,2176,
 &end
#
# 137 GLN         HG-  138 TRP          HN  5.50   (#   770:10  Preassigned   4.61, 4.80 A)
 &rst
  ixpk= 770, nxpk= 10, iat=  -1,2188, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2178,2179,
 &end
#
# 137 GLN         HB+  138 TRP          HN  4.00   (#   771:10  Preassigned   2.58, 3.18 A)
 &rst
  ixpk= 771, nxpk= 10, iat=  -1,2188, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2175,2176,
 &end
#
#  23 LEU         MDX  138 TRP          HN  5.50   (#   772:10  Preassigned   4.07, 5.93 A)
 &rst
  ixpk= 772, nxpk= 10, iat=  -1,2188, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 357, 358, 359, 361, 362, 363,
 &end
#
# 141 ALA          HN  138 TRP          HN  5.50   (#   773:10  Preassigned   4.57, 4.66 A)
 &rst
  ixpk= 773, nxpk= 10, iat=2239,2188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    10-2:775  138 TRP          HN  5.50   (#   775:10      Single   Ambig  )
 &rst
  ixpk= 775, nxpk= 10, iat=  -1,2188, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=2151,2152,2141,2142,2143,
 &end
#
#  60 LEU         HB+   61 GLU          HN  5.50   (#   778:10  Preassigned   2.45, 4.19 A)
 &rst
  ixpk= 778, nxpk= 10, iat=  -1, 906, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 891, 892,
 &end
#
# 131 LEU          HN  130 LEU          HN  4.00   (#   779:10  Preassigned   2.64, 2.85 A)
 &rst
  ixpk= 779, nxpk= 10, iat=2068,2049, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 130 LEU         HB-  130 LEU          HN  4.00   (#   780:10  Preassigned   2.06, 2.42 A)
 &rst
  ixpk= 780, nxpk= 10, iat=  -1,2049, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2053,2054,
 &end
#
# 132 GLU          HN  130 LEU          HN  5.50   (#   781:10  Preassigned   3.84, 3.94 A)
 &rst
  ixpk= 781, nxpk= 10, iat=2087,2049, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 129 THR          HB  130 LEU          HN  5.50   (#   782:10  Preassigned   2.52, 2.69 A)
 &rst
  ixpk= 782, nxpk= 10, iat=2039,2049, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 130 LEU         HB+  130 LEU          HN  4.00   (#   783:10  Preassigned   2.06, 2.42 A)
 &rst
  ixpk= 783, nxpk= 10, iat=  -1,2049, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2053,2054,
 &end
#
# 130 LEU         MDY  130 LEU          HN  4.00   (#   784:10  Preassigned   4.13, 5.09 A)
 &rst
  ixpk= 784, nxpk= 10, iat=  -1,2049, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=2058,2059,2060,2062,2063,2064,
 &end
#
#  91 CYS          HA   98 ARG          HN  6.00   (#   785:10  Preassigned   3.88, 4.25 A)
 &rst
  ixpk= 785, nxpk= 10, iat=1431,1528, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  23 LEU         MDY  138 TRP          HN  6.00   (#   786:10  Preassigned   4.07, 5.93 A)
 &rst
  ixpk= 786, nxpk= 10, iat=  -1,2188, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 357, 358, 359, 361, 362, 363,
 &end
#
# 136 ARG          HA  139 ALA          HN  5.50   (#   788:10  Preassigned   3.10, 3.33 A)
 &rst
  ixpk= 788, nxpk= 10, iat=2149,2212, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 138 TRP         HB-  139 ALA          HN  5.50   (#   789:10  Preassigned   2.68, 3.22 A)
 &rst
  ixpk= 789, nxpk= 10, iat=  -1,2212, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2192,2193,
 &end
#
# 140 GLN          HN  139 ALA          HN  4.00   (#   790:10  Preassigned   2.76, 2.80 A)
 &rst
  ixpk= 790, nxpk= 10, iat=2222,2212, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  27 HIS         HD2  139 ALA          HN  5.50   (#   791:10  Preassigned   4.69, 5.59 A)
 &rst
  ixpk= 791, nxpk= 10, iat= 442,2212, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 138 TRP         HB+  139 ALA          HN  5.50   (#   792:10  Preassigned   2.68, 3.22 A)
 &rst
  ixpk= 792, nxpk= 10, iat=  -1,2212, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2192,2193,
 &end
#
# 139 ALA          MB  139 ALA          HN  4.00   (#   793:10  Preassigned   2.51, 2.92 A)
 &rst
  ixpk= 793, nxpk= 10, iat=  -1,2212, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=2216,2217,2218,
 &end
#
# 122 GLU         HG+  123 THR          HN  6.00   (#   796:10  Preassigned   2.40, 4.21 A)
 &rst
  ixpk= 796, nxpk= 10, iat=  -1,1944, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1936,1937,
 &end
#
# 122 GLU          HN  123 THR          HN  5.50   (#   797:10      Unique   2.59, 2.78 A)
 &rst
  ixpk= 797, nxpk= 10, iat=1929,1944, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    10-2:799  123 THR          HN  2.80   (#   799:10      Single   Ambig  )
 &rst
  ixpk= 799, nxpk= 10, iat=  -1,1944, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1898,1899,1948,
 &end
#
#   0 AMB    10-2:800  123 THR          HN  4.00   (#   800:10      Single   Ambig  )
 &rst
  ixpk= 800, nxpk= 10, iat=  -1,1944, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1946,1931,
 &end
#
# 122 GLU         HB-  123 THR          HN  5.50   (#   801:10  Preassigned   2.49, 3.45 A)
 &rst
  ixpk= 801, nxpk= 10, iat=  -1,1944, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1933,1934,
 &end
#
# 122 GLU         HB+  123 THR          HN  4.00   (#   802:10  Preassigned   2.49, 3.45 A)
 &rst
  ixpk= 802, nxpk= 10, iat=  -1,1944, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1933,1934,
 &end
#
#  62 GLY          HN   61 GLU          HN  5.50   (#   803:10  Preassigned   2.78, 4.12 A)
 &rst
  ixpk= 803, nxpk= 10, iat= 921, 906, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  60 LEU          HN   61 GLU          HN  4.00   (#   804:10  Preassigned   2.31, 3.06 A)
 &rst
  ixpk= 804, nxpk= 10, iat= 887, 906, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    10-2:805   61 GLU          HN  4.00   (#   805:10      Single   Ambig  )
 &rst
  ixpk= 805, nxpk= 10, iat=  -1, 906, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 321, 322, 321, 322,
 &end
#
#  60 LEU          HA   61 GLU          HN  4.00   (#   807:10  Preassigned   2.20, 2.88 A)
 &rst
  ixpk= 807, nxpk= 10, iat= 889, 906, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  61 GLU          HA   61 GLU          HN  4.00   (#   808:10  Preassigned   2.25, 2.79 A)
 &rst
  ixpk= 808, nxpk= 10, iat= 908, 906, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    10-2:809   61 GLU          HN  4.00   (#   809:10      Single   Ambig  )
 &rst
  ixpk= 809, nxpk= 10, iat=  -1, 906, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 880, 881, 880, 881,
 &end
#
#   0 AMB    10-2:810   61 GLU          HN  4.00   (#   810:10      Single   Ambig  )
 &rst
  ixpk= 810, nxpk= 10, iat=  -1, 906, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 913, 914, 913, 914,
 &end
#
#  61 GLU         HB+   61 GLU          HN  4.00   (#   811:10  Preassigned   2.20, 2.92 A)
 &rst
  ixpk= 811, nxpk= 10, iat=  -1, 906, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 910, 911,
 &end
#
#  61 GLU         HB-   61 GLU          HN  4.00   (#   812:10  Preassigned   2.20, 2.92 A)
 &rst
  ixpk= 812, nxpk= 10, iat=  -1, 906, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 910, 911,
 &end
#
#  60 LEU          HG   61 GLU          HN  6.00   (#   813:10  Preassigned   3.05, 4.82 A)
 &rst
  ixpk= 813, nxpk= 10, iat= 894, 906, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  50 ILE         QG2   61 GLU          HN  6.00   (#   814:10  Preassigned   3.37, 6.63 A)
 &rst
  ixpk= 814, nxpk= 10, iat=  -1, 906, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 748, 749, 750,
 &end
#
#  58 LEU         MDY   61 GLU          HN  6.00   (#   815:10  Preassigned   5.26, 7.92 A)
 &rst
  ixpk= 815, nxpk= 10, iat=  -1, 906, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
#  60 LEU         MDY   61 GLU          HN  5.50   (#   816:10  Preassigned   2.33, 5.75 A)
 &rst
  ixpk= 816, nxpk= 10, iat=  -1, 906, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 896, 897, 898, 900, 901, 902,
 &end
#
# 118 ARG          HN  117 TYR          HN  5.50   (#   818:10  Preassigned   1.96, 3.98 A)
 &rst
  ixpk= 818, nxpk= 10, iat=1848,1827, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 117 TYR          HD  117 TYR          HN  4.00   (#   819:10  Preassigned   4.17, 4.68 A)
 &rst
  ixpk= 819, nxpk= 10, iat=  -1,1827, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1835,1844,
 &end
#
#   0 AMB    10-2:821  117 TYR          HN  4.00   (#   821:10      Single   Ambig  )
 &rst
  ixpk= 821, nxpk= 10, iat=  -1,1827, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=1829,1814,1815,
 &end
#
# 117 TYR         HB+  117 TYR          HN  2.80   (#   822:10  Preassigned   2.21, 2.58 A)
 &rst
  ixpk= 822, nxpk= 10, iat=  -1,1827, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1831,1832,
 &end
#
# 117 TYR         HB-  117 TYR          HN  4.00   (#   823:10  Preassigned   2.21, 2.58 A)
 &rst
  ixpk= 823, nxpk= 10, iat=  -1,1827, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1831,1832,
 &end
#
# 116 PRO         HB-  117 TYR          HN  6.00   (#   824:10  Preassigned   3.50, 4.28 A)
 &rst
  ixpk= 824, nxpk= 10, iat=  -1,1827, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1820,1821,
 &end
#
# 102 MET          HN  103 LEU          HN  6.00   (#   825:10  Preassigned   4.03, 4.42 A)
 &rst
  ixpk= 825, nxpk= 10, iat=1597,1614, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 106 HIS         HD2  103 LEU          HN  7.00   (#   826:10  Preassigned   2.54, 5.17 A)
 &rst
  ixpk= 826, nxpk= 10, iat=1673,1614, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
# 102 MET          HA  103 LEU          HN  2.80   (#   828:10  Preassigned   2.19, 2.43 A)
 &rst
  ixpk= 828, nxpk= 10, iat=1599,1614, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
# 103 LEU          HA  103 LEU          HN  4.00   (#   829:10  Preassigned   2.87, 2.94 A)
 &rst
  ixpk= 829, nxpk= 10, iat=1616,1614, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 106 HIS          HA  103 LEU          HN  6.00   (#   830:10  Preassigned   4.96, 5.58 A)
 &rst
  ixpk= 830, nxpk= 10, iat=1662,1614, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 106 HIS         HB-  103 LEU          HN  5.50   (#   831:10  Preassigned   3.03, 4.29 A)
 &rst
  ixpk= 831, nxpk= 10, iat=  -1,1614, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1664,1665,
 &end
#
# 102 MET         HG-  103 LEU          HN  5.50   (#   832:10  Preassigned   3.67, 4.42 A)
 &rst
  ixpk= 832, nxpk= 10, iat=  -1,1614, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1604,1605,
 &end
#
# 102 MET         HB+  103 LEU          HN  5.50   (#   833:10      Unique   2.04, 3.11 A)
 &rst
  ixpk= 833, nxpk= 10, iat=  -1,1614, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1601,1602,
 &end
#
# 106 HIS         HB+  103 LEU          HN  5.50   (#   834:10  Preassigned   3.03, 4.29 A)
 &rst
  ixpk= 834, nxpk= 10, iat=  -1,1614, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1664,1665,
 &end
#
# 103 LEU         HB-  103 LEU          HN  4.00   (#   835:10  Preassigned   2.31, 2.68 A)
 &rst
  ixpk= 835, nxpk= 10, iat=  -1,1614, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1618,1619,
 &end
#
# 102 MET         HB-  103 LEU          HN  5.50   (#   836:10  Preassigned   2.04, 3.11 A)
 &rst
  ixpk= 836, nxpk= 10, iat=  -1,1614, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1601,1602,
 &end
#
# 103 LEU         HB+  103 LEU          HN  4.00   (#   837:10  Preassigned   2.31, 2.68 A)
 &rst
  ixpk= 837, nxpk= 10, iat=  -1,1614, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1618,1619,
 &end
#
#  81 THR         MG2  103 LEU          HN  6.00   (#   839:10  Preassigned   4.83, 6.03 A)
 &rst
  ixpk= 839, nxpk= 10, iat=  -1,1614, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=1249,1250,1251,
 &end
#
#  87 ILE         QD1  103 LEU          HN  5.50   (#   840:10  Preassigned   3.12, 4.02 A)
 &rst
  ixpk= 840, nxpk= 10, iat=  -1,1614, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1365,1366,1367,
 &end
#
# 103 LEU         MDX  103 LEU          HN  5.50   (#   841:10  Preassigned   2.47, 5.15 A)
 &rst
  ixpk= 841, nxpk= 10, iat=  -1,1614, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
# 103 LEU         MDY  103 LEU          HN  5.50   (#   842:10  Preassigned   2.47, 5.15 A)
 &rst
  ixpk= 842, nxpk= 10, iat=  -1,1614, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
#  80 LEU         MDY  103 LEU          HN  6.00   (#   843:10  Preassigned   3.90, 6.77 A)
 &rst
  ixpk= 843, nxpk= 10, iat=  -1,1614, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1233,1234,1235,1237,1238,1239,
 &end
#
# 106 HIS          HN  103 LEU          HN  6.00   (#   844:10  Preassigned   4.10, 4.57 A)
 &rst
  ixpk= 844, nxpk= 10, iat=1660,1614, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  51 SER          HN   52 VAL          HN  4.00   (#   850:10  Preassigned   2.93, 3.04 A)
 &rst
  ixpk= 850, nxpk= 10, iat= 761, 772, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 123 THR         MG2  123 THR          HN  5.50   (#   851:10  Preassigned   3.92, 4.44 A)
 &rst
  ixpk= 851, nxpk= 10, iat=  -1,1944, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1950,1951,1952,
 &end
#
#  60 LEU         HB-   61 GLU          HN  5.50   (#   853:10  Preassigned   2.45, 4.19 A)
 &rst
  ixpk= 853, nxpk= 10, iat=  -1, 906, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 891, 892,
 &end
#
# 104 PHE          HN  103 LEU          HN  6.00   (#   854:10  Preassigned   4.36, 4.52 A)
 &rst
  ixpk= 854, nxpk= 10, iat=1633,1614, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 119 LYS          HN  118 ARG          HN  5.50   (#   855:10  Preassigned   2.24, 2.66 A)
 &rst
  ixpk= 855, nxpk= 10, iat=1872,1848, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 117 TYR         HB-  118 ARG          HN  5.50   (#   856:10  Preassigned   2.08, 3.71 A)
 &rst
  ixpk= 856, nxpk= 10, iat=  -1,1848, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1831,1832,
 &end
#
# 118 ARG         HG+  118 ARG          HN  5.50   (#   857:10  Preassigned   2.48, 3.88 A)
 &rst
  ixpk= 857, nxpk= 10, iat=  -1,1848, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1855,1856,
 &end
#
# 124 PHE          HE  118 ARG          HN  5.50   (#   858:10  Preassigned   2.48, 5.46 A)
 &rst
  ixpk= 858, nxpk= 10, iat=  -1,1848, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1968,1972,
 &end
#
# 117 TYR          HA  118 ARG          HN  4.00   (#   859:10  Preassigned   2.09, 2.86 A)
 &rst
  ixpk= 859, nxpk= 10, iat=1829,1848, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 117 TYR         HB+  118 ARG          HN  5.50   (#   860:10  Preassigned   2.08, 3.71 A)
 &rst
  ixpk= 860, nxpk= 10, iat=  -1,1848, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1831,1832,
 &end
#
#  53 ALA          HN   52 VAL          HN  4.00   (#   862:10  Preassigned   2.64, 2.72 A)
 &rst
  ixpk= 862, nxpk= 10, iat= 788, 772, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  51 SER          HA   52 VAL          HN  5.50   (#   864:10  Preassigned   3.63, 3.66 A)
 &rst
  ixpk= 864, nxpk= 10, iat= 763, 772, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  51 SER         HB+   52 VAL          HN  5.50   (#   865:10  Preassigned   2.34, 3.02 A)
 &rst
  ixpk= 865, nxpk= 10, iat=  -1, 772, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 765, 766,
 &end
#
#  51 SER         HB-   52 VAL          HN  4.00   (#   866:10  Preassigned   2.34, 3.02 A)
 &rst
  ixpk= 866, nxpk= 10, iat=  -1, 772, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 765, 766,
 &end
#
#  48 THR          HA   52 VAL          HN  5.50   (#   867:10  Preassigned   3.95, 4.20 A)
 &rst
  ixpk= 867, nxpk= 10, iat= 720, 772, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  52 VAL          HA   52 VAL          HN  5.50   (#   868:10  Preassigned   2.85, 2.88 A)
 &rst
  ixpk= 868, nxpk= 10, iat= 774, 772, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  52 VAL          HB   52 VAL          HN  4.00   (#   869:10  Preassigned   2.32, 3.03 A)
 &rst
  ixpk= 869, nxpk= 10, iat= 776, 772, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  52 VAL         MGY   52 VAL          HN  2.80   (#   870:10  Preassigned   2.15, 3.48 A)
 &rst
  ixpk= 870, nxpk= 10, iat=  -1, 772, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 778, 779, 780, 782, 783, 784,
 &end
#
#  52 VAL         MGX   52 VAL          HN  4.00   (#   871:10  Preassigned   2.15, 3.48 A)
 &rst
  ixpk= 871, nxpk= 10, iat=  -1, 772, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 778, 779, 780, 782, 783, 784,
 &end
#
#  48 THR         MG2   52 VAL          HN  5.50   (#   872:10  Preassigned   4.10, 5.48 A)
 &rst
  ixpk= 872, nxpk= 10, iat=  -1, 772, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 724, 725, 726,
 &end
#
#  53 ALA          HN   55 GLU          HN  5.50   (#   873:10  Preassigned   3.68, 4.06 A)
 &rst
  ixpk= 873, nxpk= 10, iat= 788, 808, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  57 GLN          HN   55 GLU          HN  5.50   (#   874:10  Preassigned   3.75, 3.98 A)
 &rst
  ixpk= 874, nxpk= 10, iat= 840, 808, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    10-2:875   55 GLU          HN  7.00   (#   875:10      Single   Ambig  )
 &rst
  ixpk= 875, nxpk= 10, iat=  -1, 808, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 825, 859,
 &end
#
#  53 ALA          HA   55 GLU          HN  6.00   (#   876:10  Preassigned   3.92, 4.29 A)
 &rst
  ixpk= 876, nxpk= 10, iat= 790, 808, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  54 ALA          MB   55 GLU          HN  4.00   (#   877:10  Preassigned   2.77, 3.68 A)
 &rst
  ixpk= 877, nxpk= 10, iat=  -1, 808, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 802, 803, 804,
 &end
#
#   0 AMB    10-2:878   55 GLU          HN  7.00   (#   878:10      Single   Ambig  )
 &rst
  ixpk= 878, nxpk= 10, iat=  -1, 808, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
 igr1= 778, 779, 780, 782, 783, 784, 748, 749, 750,
 &end
#
# 117 TYR          HN  118 ARG          HN  5.50   (#   879:10  Preassigned   1.96, 3.98 A)
 &rst
  ixpk= 879, nxpk= 10, iat=1827,1848, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 117 TYR          HD  118 ARG          HN  4.00   (#   880:10  Preassigned   2.52, 4.12 A)
 &rst
  ixpk= 880, nxpk= 10, iat=  -1,1848, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1835,1844,
 &end
#
# 118 ARG          HA  118 ARG          HN  4.00   (#   882:10  Preassigned   2.21, 2.59 A)
 &rst
  ixpk= 882, nxpk= 10, iat=1850,1848, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    10-2:883  118 ARG          HN  5.50   (#   883:10      Single   Ambig  )
 &rst
  ixpk= 883, nxpk= 10, iat=  -1,1848, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1852,1853,1852,1853,
 &end
#
# 118 ARG         HG-  118 ARG          HN  5.50   (#   884:10  Preassigned   2.48, 3.88 A)
 &rst
  ixpk= 884, nxpk= 10, iat=  -1,1848, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1855,1856,
 &end
#
# 117 TYR          HE  118 ARG          HN  5.50   (#   885:10  Preassigned   3.80, 5.57 A)
 &rst
  ixpk= 885, nxpk= 10, iat=  -1,1848, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1837,1842,
 &end
#
#   0 AMB    10-2:886  118 ARG          HN  5.50   (#   886:10      Single   Ambig  )
 &rst
  ixpk= 886, nxpk= 10, iat=  -1,1848, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1858,1859,1858,1859,
 &end
#
#  92 GLU          HN   94 ALA          HN  5.50   (#   887:10  Preassigned   3.92, 4.14 A)
 &rst
  ixpk= 887, nxpk= 10, iat=1440,1472, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  93 MET          HN   94 ALA          HN  4.00   (#   888:10  Preassigned   2.68, 2.78 A)
 &rst
  ixpk= 888, nxpk= 10, iat=1455,1472, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  93 MET         HG+   94 ALA          HN  5.50   (#   889:10  Preassigned   2.67, 4.75 A)
 &rst
  ixpk= 889, nxpk= 10, iat=  -1,1472, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1462,1463,
 &end
#
#  93 MET         HB+   94 ALA          HN  5.50   (#   890:10  Preassigned   2.73, 3.37 A)
 &rst
  ixpk= 890, nxpk= 10, iat=  -1,1472, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1459,1460,
 &end
#
#  90 LEU         MDY   94 ALA          HN  5.50   (#   891:10  Preassigned   3.56, 6.49 A)
 &rst
  ixpk= 891, nxpk= 10, iat=  -1,1472, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1419,1420,1421,1423,1424,1425,
 &end
#
#  54 ALA          HN   55 GLU          HN  4.00   (#   892:10  Preassigned   2.76, 2.83 A)
 &rst
  ixpk= 892, nxpk= 10, iat= 798, 808, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  56 HIS         HD2   55 GLU          HN  5.50   (#   893:10  Preassigned   4.07, 4.67 A)
 &rst
  ixpk= 893, nxpk= 10, iat= 836, 808, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  55 GLU          HA   55 GLU          HN  4.00   (#   894:10  Preassigned   2.79, 2.85 A)
 &rst
  ixpk= 894, nxpk= 10, iat= 810, 808, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  52 VAL          HA   55 GLU          HN  5.50   (#   895:10      Unique   3.15, 3.43 A)
 &rst
  ixpk= 895, nxpk= 10, iat= 774, 808, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  55 GLU         HG+   55 GLU          HN  4.00   (#   896:10  Preassigned   2.53, 4.10 A)
 &rst
  ixpk= 896, nxpk= 10, iat=  -1, 808, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 815, 816,
 &end
#
#  55 GLU         HB+   55 GLU          HN  4.00   (#   897:10  Preassigned   2.14, 2.64 A)
 &rst
  ixpk= 897, nxpk= 10, iat=  -1, 808, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 812, 813,
 &end
#
#  52 VAL         MGY   55 GLU          HN  6.00   (#   898:10  Preassigned   5.24, 6.21 A)
 &rst
  ixpk= 898, nxpk= 10, iat=  -1, 808, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 778, 779, 780, 782, 783, 784,
 &end
#
#   3 ASN          HA    3 ASN          HN  5.50   (#   899:10  Preassigned   2.20, 2.70 A)
 &rst
  ixpk= 899, nxpk= 10, iat=  43,  41, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  77 ASP         HB+    3 ASN          HN  5.50   (#   900:10  Preassigned   2.56, 4.00 A)
 &rst
  ixpk= 900, nxpk= 10, iat=  -1,  41, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1178,1179,
 &end
#
#   2 PHE         HB-    3 ASN          HN  5.50   (#   901:10  Preassigned   2.31, 3.77 A)
 &rst
  ixpk= 901, nxpk= 10, iat=  -1,  41, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  25,  26,
 &end
#
#   2 PHE          HA    3 ASN          HN  4.00   (#   902:10  Preassigned   2.16, 2.65 A)
 &rst
  ixpk= 902, nxpk= 10, iat=  23,  41, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    10-2:903    3 ASN          HN  5.50   (#   903:10      Single   Ambig  )
 &rst
  ixpk= 903, nxpk= 10, iat=  -1,  41, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  45,  46,  45,  46,
 &end
#
# 124 PHE          HE  119 LYS          HN  4.00   (#   905:10  Preassigned   2.40, 5.29 A)
 &rst
  ixpk= 905, nxpk= 10, iat=  -1,1872, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1968,1972,
 &end
#
# 117 TYR          HD  119 LYS          HN  5.50   (#   906:10  Preassigned   4.62, 6.01 A)
 &rst
  ixpk= 906, nxpk= 10, iat=  -1,1872, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1835,1844,
 &end
#
# 119 LYS          HA  119 LYS          HN  4.00   (#   907:10  Preassigned   2.89, 2.96 A)
 &rst
  ixpk= 907, nxpk= 10, iat=1874,1872, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 117 TYR          HA  119 LYS          HN  5.50   (#   908:10  Preassigned   3.29, 4.07 A)
 &rst
  ixpk= 908, nxpk= 10, iat=1829,1872, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 116 PRO          HA  119 LYS          HN  5.50   (#   909:10  Preassigned   3.64, 4.06 A)
 &rst
  ixpk= 909, nxpk= 10, iat=1823,1872, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 118 ARG          HA  119 LYS          HN  5.50   (#   910:10  Preassigned   2.83, 3.07 A)
 &rst
  ixpk= 910, nxpk= 10, iat=1850,1872, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    10-2:911  119 LYS          HN  4.00   (#   911:10      Single   Ambig  )
 &rst
  ixpk= 911, nxpk= 10, iat=  -1,1872, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1876,1877,1876,1877,
 &end
#
#   0 AMB    10-2:912  119 LYS          HN  5.50   (#   912:10      Single   Ambig  )
 &rst
  ixpk= 912, nxpk= 10, iat=  -1,1872, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1852,1853,1852,1853,
 &end
#
# 119 LYS         HD-  119 LYS          HN  5.50   (#   913:10  Preassigned   2.69, 4.55 A)
 &rst
  ixpk= 913, nxpk= 10, iat=  -1,1872, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1882,1883,
 &end
#
# 119 LYS         HG+  119 LYS          HN  4.00   (#   914:10  Preassigned   2.41, 3.47 A)
 &rst
  ixpk= 914, nxpk= 10, iat=  -1,1872, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1879,1880,
 &end
#
# 119 LYS         HG-  119 LYS          HN  4.00   (#   915:10  Preassigned   2.41, 3.47 A)
 &rst
  ixpk= 915, nxpk= 10, iat=  -1,1872, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1879,1880,
 &end
#
# 120 SER          HN  119 LYS          HN  5.50   (#   916:10  Preassigned   4.34, 4.51 A)
 &rst
  ixpk= 916, nxpk= 10, iat=1894,1872, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 119 LYS         HE+  119 LYS          HN  5.50   (#   917:10  Preassigned   2.97, 5.16 A)
 &rst
  ixpk= 917, nxpk= 10, iat=  -1,1872, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1885,1886,
 &end
#
# 125 ALA          HN  127 VAL          HN  5.50   (#   918:10  Preassigned   4.21, 4.37 A)
 &rst
  ixpk= 918, nxpk= 10, iat=1978,1998, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 128 TYR          HN  127 VAL          HN  4.00   (#   919:10  Preassigned   2.72, 2.79 A)
 &rst
  ixpk= 919, nxpk= 10, iat=2014,1998, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 126 ALA          HN  127 VAL          HN  4.00   (#   920:10  Preassigned   2.72, 2.81 A)
 &rst
  ixpk= 920, nxpk= 10, iat=1988,1998, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    10-2:921  127 VAL          HN  5.50   (#   921:10      Single   Ambig  )
 &rst
  ixpk= 921, nxpk= 10, iat=  -1,1998, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1990,1980,
 &end
#
#   0 AMB    10-2:922  127 VAL          HN  5.50   (#   922:10      Single   Ambig  )
 &rst
  ixpk= 922, nxpk= 10, iat=  -1,1998, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1946,1823,
 &end
#
# 127 VAL          HA  127 VAL          HN  4.00   (#   923:10  Preassigned   2.83, 2.85 A)
 &rst
  ixpk= 923, nxpk= 10, iat=2000,1998, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 128 TYR         HB+  127 VAL          HN  6.00   (#   924:10  Preassigned   4.73, 5.04 A)
 &rst
  ixpk= 924, nxpk= 10, iat=  -1,1998, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=2018,2019,
 &end
#
# 127 VAL          HB  127 VAL          HN  4.00   (#   925:10  Preassigned   2.26, 2.75 A)
 &rst
  ixpk= 925, nxpk= 10, iat=2002,1998, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 126 ALA          MB  127 VAL          HN  4.00   (#   926:10  Preassigned   2.45, 3.31 A)
 &rst
  ixpk= 926, nxpk= 10, iat=  -1,1998, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=1992,1993,1994,
 &end
#
#   0 AMB    10-2:927  127 VAL          HN  4.00   (#   927:10      Single   Ambig  )
 &rst
  ixpk= 927, nxpk= 10, iat=  -1,1998, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=2004,2005,2006,2008,2009,2010,2004,2005,2006,2008,
      2009,2010,
 &end
#
# 144 ALA          HN  145 GLU          HN  4.00   (#   929:10  Preassigned   2.25, 2.83 A)
 &rst
  ixpk= 929, nxpk= 10, iat=2282,2292, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 145 GLU          HA  145 GLU          HN  4.00   (#   930:10  Preassigned   2.20, 2.66 A)
 &rst
  ixpk= 930, nxpk= 10, iat=2294,2292, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 144 ALA          HA  145 GLU          HN  2.80   (#   931:10  Preassigned   2.14, 2.90 A)
 &rst
  ixpk= 931, nxpk= 10, iat=2284,2292, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
# 145 GLU         HB+  145 GLU          HN  4.00   (#   933:10  Preassigned   2.43, 3.13 A)
 &rst
  ixpk= 933, nxpk= 10, iat=  -1,2292, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2296,2297,
 &end
#
# 145 GLU         HB-  145 GLU          HN  2.80   (#   934:10  Preassigned   2.43, 3.13 A)
 &rst
  ixpk= 934, nxpk= 10, iat=  -1,2292, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2296,2297,
 &end
#
# 144 ALA          MB  145 GLU          HN  4.00   (#   935:10  Preassigned   1.87, 4.02 A)
 &rst
  ixpk= 935, nxpk= 10, iat=  -1,2292, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=2286,2287,2288,
 &end
#
#   3 ASN          HN    2 PHE          HN  5.50   (#   936:10  Preassigned   2.77, 3.84 A)
 &rst
  ixpk= 936, nxpk= 10, iat=  41,  21, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   2 PHE          HD    2 PHE          HN  5.50   (#   937:10  Preassigned   2.26, 3.45 A)
 &rst
  ixpk= 937, nxpk= 10, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  29,  37,
 &end
#
#   1 MET          HA    2 PHE          HN  5.50   (#   938:10  Preassigned   2.12, 2.31 A)
 &rst
  ixpk= 938, nxpk= 10, iat=   6,  21, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  94 ALA          HA   94 ALA          HN  5.50   (#   940:10  Preassigned   2.94, 2.97 A)
 &rst
  ixpk= 940, nxpk= 10, iat=1474,1472, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    10-2:941   94 ALA          HN  4.00   (#   941:10      Single   Ambig  )
 &rst
  ixpk= 941, nxpk= 10, iat=  -1,1472, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1431,1412,
 &end
#
#  95 PRO         HD-   94 ALA          HN  5.50   (#   942:10  Preassigned   2.96, 3.69 A)
 &rst
  ixpk= 942, nxpk= 10, iat=  -1,1472, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1483,1484,
 &end
#
#  95 PRO         HD+   94 ALA          HN  5.50   (#   943:10  Preassigned   2.96, 3.69 A)
 &rst
  ixpk= 943, nxpk= 10, iat=  -1,1472, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1483,1484,
 &end
#
#  93 MET         HG-   94 ALA          HN  5.50   (#   944:10  Preassigned   2.67, 4.75 A)
 &rst
  ixpk= 944, nxpk= 10, iat=  -1,1472, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1462,1463,
 &end
#
#  93 MET         HB-   94 ALA          HN  5.50   (#   945:10  Preassigned   2.73, 3.37 A)
 &rst
  ixpk= 945, nxpk= 10, iat=  -1,1472, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1459,1460,
 &end
#
#  94 ALA          MB   94 ALA          HN  4.00   (#   947:10  Preassigned   2.64, 3.30 A)
 &rst
  ixpk= 947, nxpk= 10, iat=  -1,1472, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=1476,1477,1478,
 &end
#
#  74 ARG          HN   72 LEU          HN  5.50   (#   949:10  Preassigned   4.06, 4.20 A)
 &rst
  ixpk= 949, nxpk= 10, iat=1115,1085, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    10-2:950    0 AMB    10-1:950  4.00   (#   950:10      Double   Ambig  )
 &rst
  ixpk= 950, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1061, 682,
 igr2=1085, 928,
 &end
#
#  69 SER          HN   72 LEU          HN  5.50   (#   951:10      Unique   3.11, 3.31 A)
 &rst
  ixpk= 951, nxpk= 10, iat=1026,1085, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    10-2:953    0 AMB    10-1:953  4.00   (#   953:10      Double   Ambig  )
 &rst
  ixpk= 953, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 923, 924,1087,
 igr2= 928,1085,
 &end
#
#   0 AMB    10-2:954   72 LEU          HN  5.50   (#   954:10      Single   Ambig  )
 &rst
  ixpk= 954, nxpk= 10, iat=  -1,1085, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1063,1106,
 &end
#
#  71 ARG         HB-   72 LEU          HN  4.00   (#   956:10  Preassigned   2.47, 3.37 A)
 &rst
  ixpk= 956, nxpk= 10, iat=  -1,1085, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1065,1066,
 &end
#
#  45 ALA          MB   63 HIS          HN  5.50   (#   957:10  Preassigned   3.86, 5.41 A)
 &rst
  ixpk= 957, nxpk= 10, iat=  -1, 928, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 686, 687, 688,
 &end
#
#  72 LEU         MDY   72 LEU          HN  5.50   (#   958:10  Preassigned   2.54, 4.34 A)
 &rst
  ixpk= 958, nxpk= 10, iat=  -1,1085, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#  72 LEU         MDX   72 LEU          HN  5.50   (#   959:10  Preassigned   2.54, 4.34 A)
 &rst
  ixpk= 959, nxpk= 10, iat=  -1,1085, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#  62 GLY          HN   63 HIS          HN  4.00   (#   960:10  Preassigned   2.35, 2.99 A)
 &rst
  ixpk= 960, nxpk= 10, iat= 921, 928, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  63 HIS         HD2   63 HIS          HN  5.50   (#   961:10  Preassigned   4.51, 4.89 A)
 &rst
  ixpk= 961, nxpk= 10, iat= 941, 928, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  63 HIS          HA   63 HIS          HN  4.00   (#   962:10  Preassigned   2.81, 2.92 A)
 &rst
  ixpk= 962, nxpk= 10, iat= 930, 928, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  62 GLY         HA-   63 HIS          HN  4.00   (#   963:10  Preassigned   2.14, 3.09 A)
 &rst
  ixpk= 963, nxpk= 10, iat=  -1, 928, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 923, 924,
 &end
#
#  63 HIS         HB+   63 HIS          HN  2.80   (#   964:10  Preassigned   2.34, 2.83 A)
 &rst
  ixpk= 964, nxpk= 10, iat=  -1, 928, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 932, 933,
 &end
#
#  63 HIS         HB-   63 HIS          HN  2.80   (#   965:10  Preassigned   2.34, 2.83 A)
 &rst
  ixpk= 965, nxpk= 10, iat=  -1, 928, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 932, 933,
 &end
#
#   0 AMB    10-2:966   72 LEU          HN  4.00   (#   966:10      Single   Ambig  )
 &rst
  ixpk= 966, nxpk= 10, iat=  -1,1085, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1089,1090,1065,1066,
 &end
#
#  71 ARG         HG+   72 LEU          HN  5.50   (#   967:10  Preassigned   2.39, 4.23 A)
 &rst
  ixpk= 967, nxpk= 10, iat=  -1,1085, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1068,1069,
 &end
#
#   2 PHE          HN    3 ASN          HN  5.50   (#   968:10  Preassigned   2.77, 3.84 A)
 &rst
  ixpk= 968, nxpk= 10, iat=  21,  41, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   3 ASN        HD2+    3 ASN          HN  5.50   (#   969:10  Preassigned   4.35, 5.19 A)
 &rst
  ixpk= 969, nxpk= 10, iat=  -1,  41, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  50,  51,
 &end
#
#   2 PHE          HD    3 ASN          HN  5.50   (#   970:10  Preassigned   3.87, 5.16 A)
 &rst
  ixpk= 970, nxpk= 10, iat=  -1,  41, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  29,  37,
 &end
#
#   0 AMB    10-2:971  119 LYS          HN  5.50   (#   971:10      Single   Ambig  )
 &rst
  ixpk= 971, nxpk= 10, iat=  -1,1872, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1896,1898,1899,
 &end
#
# 101 VAL          HA  100 LYS          HN  6.00   (#   972:10  Preassigned   4.54, 4.95 A)
 &rst
  ixpk= 972, nxpk= 10, iat=1583,1559, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 128 TYR         HB-  127 VAL          HN  6.00   (#   973:10  Preassigned   4.73, 5.04 A)
 &rst
  ixpk= 973, nxpk= 10, iat=  -1,1998, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=2018,2019,
 &end
#
# 141 ALA          MB  145 GLU          HN  5.50   (#   974:10  Preassigned   4.65, 6.56 A)
 &rst
  ixpk= 974, nxpk= 10, iat=  -1,2292, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=2243,2244,2245,
 &end
#
#   2 PHE         HB+    2 PHE          HN  5.50   (#   975:10  Preassigned   2.50, 3.15 A)
 &rst
  ixpk= 975, nxpk= 10, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  25,  26,
 &end
#
#   2 PHE          HA    2 PHE          HN  4.00   (#   976:10  Preassigned   2.68, 2.82 A)
 &rst
  ixpk= 976, nxpk= 10, iat=  23,  21, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   2 PHE         HB-    2 PHE          HN  4.00   (#   977:10  Preassigned   2.50, 3.15 A)
 &rst
  ixpk= 977, nxpk= 10, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=  25,  26,
 &end
#
#   1 MET         HG-    2 PHE          HN  6.00   (#   978:10  Preassigned   2.29, 3.67 A)
 &rst
  ixpk= 978, nxpk= 10, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=  11,  12,
 &end
#
#   1 MET         HB+    2 PHE          HN  4.00   (#   979:10  Preassigned   2.02, 3.93 A)
 &rst
  ixpk= 979, nxpk= 10, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=   8,   9,
 &end
#
# 142 LEU         MDY    2 PHE          HN  5.50   (#   980:10  Preassigned   4.11, 6.25 A)
 &rst
  ixpk= 980, nxpk= 10, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2258,2259,2260,2262,2263,2264,
 &end
#
#  86 HIS          HN   83 GLU          HN  5.50   (#   981:10  Preassigned   3.51, 3.79 A)
 &rst
  ixpk= 981, nxpk= 10, iat=1335,1274, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  81 THR          HB   83 GLU          HN  5.50   (#   982:10  Preassigned   2.78, 4.54 A)
 &rst
  ixpk= 982, nxpk= 10, iat=1247,1274, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  83 GLU         HB+   83 GLU          HN  5.50   (#   983:10  Preassigned   2.62, 3.34 A)
 &rst
  ixpk= 983, nxpk= 10, iat=  -1,1274, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1278,1279,
 &end
#
#  81 THR         MG2   83 GLU          HN  5.50   (#   984:10  Preassigned   2.65, 4.37 A)
 &rst
  ixpk= 984, nxpk= 10, iat=  -1,1274, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1249,1250,1251,
 &end
#
#  87 ILE         QD1   83 GLU          HN  7.00   (#   985:10  Preassigned   4.74, 5.87 A)
 &rst
  ixpk= 985, nxpk= 10, iat=  -1,1274, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1365,1366,1367,
 &end
#
# 135 ALA          HN  133 ARG          HN  6.00   (#   986:10  Preassigned   3.97, 4.16 A)
 &rst
  ixpk= 986, nxpk= 10, iat=2137,2102, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 132 GLU          HN  133 ARG          HN  5.50   (#   987:10  Preassigned   2.55, 2.68 A)
 &rst
  ixpk= 987, nxpk= 10, iat=2087,2102, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 136 ARG          HN  133 ARG          HN  6.00   (#   988:10  Preassigned   4.75, 4.83 A)
 &rst
  ixpk= 988, nxpk= 10, iat=2147,2102, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   0 AMB    10-2:991  133 ARG          HN  4.00   (#   991:10      Single   Ambig  )
 &rst
  ixpk= 991, nxpk= 10, iat=  -1,2102, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2051,2070,
 &end
#
# 133 ARG          HA  133 ARG          HN  4.00   (#   992:10  Preassigned   2.81, 2.86 A)
 &rst
  ixpk= 992, nxpk= 10, iat=2104,2102, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 133 ARG         HD-  133 ARG          HN  7.00   (#   993:10  Preassigned   3.79, 5.05 A)
 &rst
  ixpk= 993, nxpk= 10, iat=  -1,2102, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=2112,2113,
 &end
#
# 131 LEU          HN  133 ARG          HN  5.50   (#   994:10  Preassigned   4.31, 4.46 A)
 &rst
  ixpk= 994, nxpk= 10, iat=2068,2102, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 134 SER          HN  133 ARG          HN  4.00   (#   995:10  Preassigned   2.59, 2.82 A)
 &rst
  ixpk= 995, nxpk= 10, iat=2126,2102, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 134 SER          HA  133 ARG          HN  6.00   (#   996:10  Preassigned   5.14, 5.36 A)
 &rst
  ixpk= 996, nxpk= 10, iat=2128,2102, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 134 SER         HB+  133 ARG          HN  6.00   (#   997:10  Preassigned   4.76, 5.63 A)
 &rst
  ixpk= 997, nxpk= 10, iat=  -1,2102, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=2130,2131,
 &end
#
# 133 ARG         HD+  133 ARG          HN  7.00   (#   998:10  Preassigned   3.79, 5.05 A)
 &rst
  ixpk= 998, nxpk= 10, iat=  -1,2102, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=2112,2113,
 &end
#
# 132 GLU         HG+  133 ARG          HN  5.50   (#   999:10  Preassigned   3.45, 4.46 A)
 &rst
  ixpk= 999, nxpk= 10, iat=  -1,2102, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2094,2095,
 &end
#
# 132 GLU         HG-  133 ARG          HN  5.50   (#   1000:10  Preassigned   3.45, 4.46 A)
 &rst
  ixpk= 1000, nxpk= 10, iat=  -1,2102, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2094,2095,
 &end
#
# 133 ARG         HG+  133 ARG          HN  5.50   (#   1002:10  Preassigned   2.22, 4.00 A)
 &rst
  ixpk= 1002, nxpk= 10, iat=  -1,2102, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2109,2110,
 &end
#
# 132 GLU         HB-  133 ARG          HN  4.00   (#   1003:10  Preassigned   2.65, 3.40 A)
 &rst
  ixpk= 1003, nxpk= 10, iat=  -1,2102, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2091,2092,
 &end
#
# 133 ARG         HG-  133 ARG          HN  5.50   (#   1004:10  Preassigned   2.22, 4.00 A)
 &rst
  ixpk= 1004, nxpk= 10, iat=  -1,2102, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2109,2110,
 &end
#
# 129 THR         MG2  133 ARG          HN  6.00   (#   1005:10  Preassigned   4.32, 5.27 A)
 &rst
  ixpk= 1005, nxpk= 10, iat=  -1,2102, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=2041,2042,2043,
 &end
#
#  44 GLY         HA+   63 HIS          HN  5.50   (#   1006:10  Preassigned   4.27, 5.26 A)
 &rst
  ixpk= 1006, nxpk= 10, iat=  -1, 928, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 677, 678,
 &end
#
#  89 ARG          HN   87 ILE          HN  5.50   (#   1007:10  Preassigned   4.24, 4.39 A)
 &rst
  ixpk= 1007, nxpk= 10, iat=1386,1352, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   5 ILE          HN    4 ASN          HN  5.50   (#   1009:10  Preassigned   2.81, 4.02 A)
 &rst
  ixpk= 1009, nxpk= 10, iat=  69,  55, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   3 ASN        HD2-    4 ASN          HN  6.00   (#   1010:10  Preassigned   5.45, 5.88 A)
 &rst
  ixpk= 1010, nxpk= 10, iat=  -1,  55, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=  50,  51,
 &end
#
#   4 ASN        HD2-    4 ASN          HN  6.00   (#   1011:10  Preassigned   2.65, 4.83 A)
 &rst
  ixpk= 1011, nxpk= 10, iat=  -1,  55, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=  64,  65,
 &end
#
#   5 ILE         QD1    4 ASN          HN  5.50   (#   1012:10  Preassigned   2.04, 5.39 A)
 &rst
  ixpk= 1012, nxpk= 10, iat=  -1,  55, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  82,  83,  84,
 &end
#
#   4 ASN        HD2+    4 ASN          HN  7.00   (#   1013:10  Preassigned   2.65, 4.83 A)
 &rst
  ixpk= 1013, nxpk= 10, iat=  -1,  55, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=  64,  65,
 &end
#
#  76 TYR          HA    4 ASN          HN  6.00   (#   1014:10  Preassigned   4.10, 4.70 A)
 &rst
  ixpk= 1014, nxpk= 10, iat=1155,  55, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  77 ASP         HB+    4 ASN          HN  5.50   (#   1015:10  Preassigned   1.78, 3.18 A)
 &rst
  ixpk= 1015, nxpk= 10, iat=  -1,  55, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1178,1179,
 &end
#
#   2 PHE         HB-    3 ASN          HN  5.50   (#   1016:10  Preassigned   2.31, 3.77 A)
 &rst
  ixpk= 1016, nxpk= 10, iat=  -1,  41, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  25,  26,
 &end
#
#  48 THR          HN   50 ILE          HN  5.50   (#   1017:10  Preassigned   3.72, 3.80 A)
 &rst
  ixpk= 1017, nxpk= 10, iat= 718, 742, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   10-2:1018   50 ILE          HN  5.50   (#   1018:10      Single   Ambig  )
 &rst
  ixpk= 1018, nxpk= 10, iat=  -1, 742, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 692, 772,
 &end
#
#  51 SER          HN   50 ILE          HN  4.00   (#   1019:10  Preassigned   2.83, 2.87 A)
 &rst
  ixpk= 1019, nxpk= 10, iat= 761, 742, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  49 ALA          HN   50 ILE          HN  4.00   (#   1020:10  Preassigned   2.52, 2.59 A)
 &rst
  ixpk= 1020, nxpk= 10, iat= 732, 742, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  47 PRO          HA   50 ILE          HN  4.00   (#   1021:10  Preassigned   3.09, 3.33 A)
 &rst
  ixpk= 1021, nxpk= 10, iat= 714, 742, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  51 SER         HB-   50 ILE          HN  6.00   (#   1022:10  Preassigned   5.06, 5.75 A)
 &rst
  ixpk= 1022, nxpk= 10, iat=  -1, 742, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 765, 766,
 &end
#
#   0 AMB   10-2:1023   50 ILE          HN  5.50   (#   1023:10      Single   Ambig  )
 &rst
  ixpk= 1023, nxpk= 10, iat=  -1, 742, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 720, 705, 706,
 &end
#
#  50 ILE          HA   50 ILE          HN  5.50   (#   1024:10  Preassigned   2.80, 2.82 A)
 &rst
  ixpk= 1024, nxpk= 10, iat= 744, 742, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  46 ASP         HB+   50 ILE          HN  5.50   (#   1025:10  Preassigned   3.77, 4.97 A)
 &rst
  ixpk= 1025, nxpk= 10, iat=  -1, 742, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 696, 697,
 &end
#
#  46 ASP         HB-   50 ILE          HN  5.50   (#   1026:10  Preassigned   3.77, 4.97 A)
 &rst
  ixpk= 1026, nxpk= 10, iat=  -1, 742, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 696, 697,
 &end
#
#   0 AMB   10-2:1027   50 ILE          HN  5.50   (#   1027:10      Single   Ambig  )
 &rst
  ixpk= 1027, nxpk= 10, iat=  -1, 742, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 711, 712, 776,
 &end
#
#  50 ILE          HB   50 ILE          HN  2.80   (#   1028:10  Preassigned   2.30, 2.51 A)
 &rst
  ixpk= 1028, nxpk= 10, iat= 746, 742, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  50 ILE        HG1+   50 ILE          HN  2.80   (#   1029:10  Preassigned   2.09, 2.88 A)
 &rst
  ixpk= 1029, nxpk= 10, iat=  -1, 742, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 752, 753,
 &end
#
#  45 ALA          MB   50 ILE          HN  5.50   (#   1030:10  Preassigned   3.96, 5.14 A)
 &rst
  ixpk= 1030, nxpk= 10, iat=  -1, 742, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 686, 687, 688,
 &end
#
#   0 AMB   10-2:1031   50 ILE          HN  5.50   (#   1031:10      Single   Ambig  )
 &rst
  ixpk= 1031, nxpk= 10, iat=  -1, 742, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 748, 749, 750, 778, 779, 780, 782, 783, 784,
 &end
#
#  50 ILE         QD1   50 ILE          HN  4.00   (#   1032:10  Preassigned   3.78, 4.39 A)
 &rst
  ixpk= 1032, nxpk= 10, iat=  -1, 742, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 755, 756, 757,
 &end
#
#  50 ILE        HG1-   50 ILE          HN  4.00   (#   1033:10  Preassigned   2.09, 2.88 A)
 &rst
  ixpk= 1033, nxpk= 10, iat=  -1, 742, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 752, 753,
 &end
#
#   0 AMB   10-2:1034   50 ILE          HN  5.50   (#   1034:10      Single   Ambig  )
 &rst
  ixpk= 1034, nxpk= 10, iat=  -1, 742, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
       901, 902,
 &end
#
# 100 LYS         HD+  100 LYS          HN  5.50   (#   1035:10  Preassigned   2.71, 4.46 A)
 &rst
  ixpk= 1035, nxpk= 10, iat=  -1,1559, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1569,1570,
 &end
#
#   0 AMB   10-2:1036  100 LYS          HN  5.50   (#   1036:10      Single   Ambig  )
 &rst
  ixpk= 1036, nxpk= 10, iat=  -1,1559, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1587,1588,1589,1591,1592,1593,1587,1588,1589,1591,
      1592,1593,
 &end
#
#  81 THR          HA   82 MET          HN  4.00   (#   1038:10  Preassigned   2.23, 2.47 A)
 &rst
  ixpk= 1038, nxpk= 10, iat=1245,1257, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  81 THR          HB   82 MET          HN  4.00   (#   1040:10  Preassigned   2.46, 3.62 A)
 &rst
  ixpk= 1040, nxpk= 10, iat=1247,1257, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  82 MET         HG-   82 MET          HN  5.50   (#   1042:10  Preassigned   2.27, 3.65 A)
 &rst
  ixpk= 1042, nxpk= 10, iat=  -1,1257, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1264,1265,
 &end
#
#  81 THR         MG2   82 MET          HN  5.50   (#   1043:10  Preassigned   2.84, 4.44 A)
 &rst
  ixpk= 1043, nxpk= 10, iat=  -1,1257, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1249,1250,1251,
 &end
#
#  82 MET          HA   82 MET          HN  5.50   (#   1044:10  Preassigned   2.86, 2.95 A)
 &rst
  ixpk= 1044, nxpk= 10, iat=1259,1257, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   10-2:1045   82 MET          HN  7.00   (#   1045:10      Single   Ambig  )
 &rst
  ixpk= 1045, nxpk= 10, iat=  -1,1257, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
 igr1= 129, 130, 131, 133, 134, 135,1365,1366,1367,
 &end
#
#  84 LYS          HN   83 GLU          HN  6.00   (#   1046:10  Preassigned   4.29, 4.39 A)
 &rst
  ixpk= 1046, nxpk= 10, iat=1289,1274, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  82 MET          HN   83 GLU          HN  4.00   (#   1047:10  Preassigned   2.18, 2.56 A)
 &rst
  ixpk= 1047, nxpk= 10, iat=1257,1274, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  86 HIS         HD2   83 GLU          HN  5.50   (#   1048:10  Preassigned   2.33, 3.40 A)
 &rst
  ixpk= 1048, nxpk= 10, iat=1348,1274, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  81 THR          HA   83 GLU          HN  5.50   (#   1049:10  Preassigned   4.22, 4.53 A)
 &rst
  ixpk= 1049, nxpk= 10, iat=1245,1274, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  82 MET          HA   83 GLU          HN  5.50   (#   1050:10  Preassigned   3.29, 3.45 A)
 &rst
  ixpk= 1050, nxpk= 10, iat=1259,1274, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  83 GLU          HA   83 GLU          HN  5.50   (#   1052:10  Preassigned   2.93, 2.96 A)
 &rst
  ixpk= 1052, nxpk= 10, iat=1276,1274, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  86 HIS         HB-   83 GLU          HN  4.00   (#   1054:10  Preassigned   2.55, 3.66 A)
 &rst
  ixpk= 1054, nxpk= 10, iat=  -1,1274, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1339,1340,
 &end
#
#  86 HIS         HB+   83 GLU          HN  5.50   (#   1055:10  Preassigned   2.55, 3.66 A)
 &rst
  ixpk= 1055, nxpk= 10, iat=  -1,1274, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1339,1340,
 &end
#
#   0 AMB   10-2:1056   83 GLU          HN  5.50   (#   1056:10      Single   Ambig  )
 &rst
  ixpk= 1056, nxpk= 10, iat=  -1,1274, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1261,1262,1261,1262,
 &end
#
#  82 MET         HG+   83 GLU          HN  5.50   (#   1057:10  Preassigned   4.66, 5.36 A)
 &rst
  ixpk= 1057, nxpk= 10, iat=  -1,1274, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1264,1265,
 &end
#
#  82 MET         HG-   83 GLU          HN  5.50   (#   1058:10  Preassigned   4.66, 5.36 A)
 &rst
  ixpk= 1058, nxpk= 10, iat=  -1,1274, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1264,1265,
 &end
#
#  83 GLU         HG+   83 GLU          HN  5.50   (#   1059:10  Preassigned   2.44, 3.77 A)
 &rst
  ixpk= 1059, nxpk= 10, iat=  -1,1274, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1281,1282,
 &end
#
# 103 LEU         MDX   83 GLU          HN  6.00   (#   1060:10  Preassigned   2.90, 5.06 A)
 &rst
  ixpk= 1060, nxpk= 10, iat=  -1,1274, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
# 103 LEU         MDY   83 GLU          HN  5.50   (#   1061:10  Preassigned   2.90, 5.06 A)
 &rst
  ixpk= 1061, nxpk= 10, iat=  -1,1274, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
#  83 GLU         HG-   83 GLU          HN  5.50   (#   1062:10  Preassigned   2.44, 3.77 A)
 &rst
  ixpk= 1062, nxpk= 10, iat=  -1,1274, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1281,1282,
 &end
#
#  83 GLU         HB-   83 GLU          HN  5.50   (#   1063:10  Preassigned   2.62, 3.34 A)
 &rst
  ixpk= 1063, nxpk= 10, iat=  -1,1274, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1278,1279,
 &end
#
#  94 ALA          HN   92 GLU          HN  5.50   (#   1064:10  Preassigned   3.92, 4.14 A)
 &rst
  ixpk= 1064, nxpk= 10, iat=1472,1440, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  88 GLU          HN   87 ILE          HN  4.00   (#   1065:10  Preassigned   2.58, 2.77 A)
 &rst
  ixpk= 1065, nxpk= 10, iat=1371,1352, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  86 HIS          HN   87 ILE          HN  4.00   (#   1066:10  Preassigned   2.41, 2.48 A)
 &rst
  ixpk= 1066, nxpk= 10, iat=1335,1352, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  86 HIS          HA   87 ILE          HN  5.50   (#   1067:10  Preassigned   3.58, 3.63 A)
 &rst
  ixpk= 1067, nxpk= 10, iat=1337,1352, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   10-2:1068   87 ILE          HN  5.50   (#   1068:10      Single   Ambig  )
 &rst
  ixpk= 1068, nxpk= 10, iat=  -1,1352, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1247,1313,
 &end
#
#  88 GLU          HA   87 ILE          HN  6.00   (#   1069:10  Preassigned   5.23, 5.37 A)
 &rst
  ixpk= 1069, nxpk= 10, iat=1373,1352, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  86 HIS         HB-   87 ILE          HN  5.50   (#   1070:10  Preassigned   2.59, 3.35 A)
 &rst
  ixpk= 1070, nxpk= 10, iat=  -1,1352, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1339,1340,
 &end
#
#  87 ILE          HA   87 ILE          HN  5.50   (#   1071:10  Preassigned   2.78, 2.84 A)
 &rst
  ixpk= 1071, nxpk= 10, iat=1354,1352, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  86 HIS         HB+   87 ILE          HN  5.50   (#   1072:10  Preassigned   2.59, 3.35 A)
 &rst
  ixpk= 1072, nxpk= 10, iat=  -1,1352, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1339,1340,
 &end
#
#  87 ILE          HB   87 ILE          HN  2.80   (#   1073:10  Preassigned   2.56, 2.64 A)
 &rst
  ixpk= 1073, nxpk= 10, iat=1356,1352, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   0 AMB   10-2:1074   87 ILE          HN  5.50   (#   1074:10      Single   Ambig  )
 &rst
  ixpk= 1074, nxpk= 10, iat=  -1,1352, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1393,1394,1585,
 &end
#
#  87 ILE        HG1+   87 ILE          HN  4.00   (#   1075:10  Preassigned   2.01, 2.91 A)
 &rst
  ixpk= 1075, nxpk= 10, iat=  -1,1352, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1362,1363,
 &end
#
#  87 ILE         QD1   87 ILE          HN  4.00   (#   1077:10  Preassigned   3.04, 4.15 A)
 &rst
  ixpk= 1077, nxpk= 10, iat=  -1,1352, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=1365,1366,1367,
 &end
#
#  87 ILE        HG1-   87 ILE          HN  4.00   (#   1078:10  Preassigned   2.01, 2.91 A)
 &rst
  ixpk= 1078, nxpk= 10, iat=  -1,1352, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1362,1363,
 &end
#
# 103 LEU         MDY   87 ILE          HN  5.50   (#   1079:10  Preassigned   4.05, 6.14 A)
 &rst
  ixpk= 1079, nxpk= 10, iat=  -1,1352, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
#  84 LYS          HA   87 ILE          HN  5.50   (#   1080:10  Preassigned   2.80, 2.94 A)
 &rst
  ixpk= 1080, nxpk= 10, iat=1291,1352, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  81 THR         MG2   87 ILE          HN  5.50   (#   1082:10  Preassigned   2.85, 4.27 A)
 &rst
  ixpk= 1082, nxpk= 10, iat=  -1,1352, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1249,1250,1251,
 &end
#
# 105 GLY          HN  111 CYS          HN  6.00   (#   1083:10  Preassigned   4.25, 5.55 A)
 &rst
  ixpk= 1083, nxpk= 10, iat=1653,1742, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 112 GLU          HN  111 CYS          HN  5.50   (#   1084:10  Preassigned   4.05, 4.51 A)
 &rst
  ixpk= 1084, nxpk= 10, iat=1753,1742, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 105 GLY         HA+  111 CYS          HN  5.50   (#   1086:10  Preassigned   2.49, 3.91 A)
 &rst
  ixpk= 1086, nxpk= 10, iat=  -1,1742, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1655,1656,
 &end
#
# 105 GLY         HA-  111 CYS          HN  5.50   (#   1087:10  Preassigned   2.49, 3.91 A)
 &rst
  ixpk= 1087, nxpk= 10, iat=  -1,1742, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1655,1656,
 &end
#
# 106 HIS          HA  111 CYS          HN  5.50   (#   1088:10  Preassigned   3.77, 4.94 A)
 &rst
  ixpk= 1088, nxpk= 10, iat=1662,1742, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 110 GLU          HA  111 CYS          HN  2.80   (#   1089:10  Preassigned   2.53, 2.83 A)
 &rst
  ixpk= 1089, nxpk= 10, iat=1729,1742, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
# 111 CYS         HB-  111 CYS          HN  2.80   (#   1090:10  Preassigned   2.40, 2.94 A)
 &rst
  ixpk= 1090, nxpk= 10, iat=  -1,1742, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1746,1747,
 &end
#
# 111 CYS         HB+  111 CYS          HN  2.80   (#   1091:10  Preassigned   2.40, 2.94 A)
 &rst
  ixpk= 1091, nxpk= 10, iat=  -1,1742, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1746,1747,
 &end
#
# 108 ASP         HB+  111 CYS          HN  5.50   (#   1092:10  Preassigned   2.90, 4.31 A)
 &rst
  ixpk= 1092, nxpk= 10, iat=  -1,1742, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1705,1706,
 &end
#
#   0 AMB   10-2:1093  111 CYS          HN  7.00   (#   1093:10      Single   Ambig  )
 &rst
  ixpk= 1093, nxpk= 10, iat=  -1,1742, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1734,1735,1757,1758,
 &end
#
#   0 AMB   10-2:1094  111 CYS          HN  4.00   (#   1094:10      Single   Ambig  )
 &rst
  ixpk= 1094, nxpk= 10, iat=  -1,1742, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1731,1732,1731,1732,
 &end
#
# 103 LEU         MDX  111 CYS          HN  5.50   (#   1095:10  Preassigned   3.82, 6.51 A)
 &rst
  ixpk= 1095, nxpk= 10, iat=  -1,1742, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
# 109 ASN          HN  111 CYS          HN  5.50   (#   1096:10  Preassigned   2.46, 4.11 A)
 &rst
  ixpk= 1096, nxpk= 10, iat=1713,1742, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 111 CYS          HA  111 CYS          HN  4.00   (#   1097:10  Preassigned   2.88, 2.95 A)
 &rst
  ixpk= 1097, nxpk= 10, iat=1744,1742, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   4 ASN        HD2-   77 ASP          HN  5.50   (#   1099:10  Preassigned   3.97, 5.21 A)
 &rst
  ixpk= 1099, nxpk= 10, iat=  -1,1174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  64,  65,
 &end
#
#   4 ASN          HN   77 ASP          HN  5.50   (#   1100:10  Preassigned   3.19, 3.59 A)
 &rst
  ixpk= 1100, nxpk= 10, iat=  55,1174, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  78 LEU          HN   77 ASP          HN  2.80   (#   1101:10  Preassigned   1.89, 2.13 A)
 &rst
  ixpk= 1101, nxpk= 10, iat=1186,1174, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  76 TYR          HD   77 ASP          HN  5.50   (#   1102:10  Preassigned   3.54, 4.80 A)
 &rst
  ixpk= 1102, nxpk= 10, iat=  -1,1174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1161,1170,
 &end
#
#   5 ILE          HA   77 ASP          HN  6.00   (#   1103:10  Preassigned   3.26, 3.73 A)
 &rst
  ixpk= 1103, nxpk= 10, iat=  71,1174, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  77 ASP          HA   77 ASP          HN  5.50   (#   1104:10  Preassigned   2.95, 2.99 A)
 &rst
  ixpk= 1104, nxpk= 10, iat=1176,1174, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  76 TYR          HA   77 ASP          HN  2.80   (#   1105:10  Preassigned   2.29, 2.49 A)
 &rst
  ixpk= 1105, nxpk= 10, iat=1155,1174, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  77 ASP         HB+   77 ASP          HN  5.50   (#   1106:10  Preassigned   2.45, 2.80 A)
 &rst
  ixpk= 1106, nxpk= 10, iat=  -1,1174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1178,1179,
 &end
#
#  76 TYR         HB-   77 ASP          HN  4.00   (#   1107:10  Preassigned   2.14, 3.03 A)
 &rst
  ixpk= 1107, nxpk= 10, iat=  -1,1174, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1157,1158,
 &end
#
#  77 ASP         HB-   77 ASP          HN  2.80   (#   1108:10  Preassigned   2.45, 2.80 A)
 &rst
  ixpk= 1108, nxpk= 10, iat=  -1,1174, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1178,1179,
 &end
#
#   4 ASN         HB+   77 ASP          HN  5.50   (#   1109:10  Preassigned   2.33, 3.79 A)
 &rst
  ixpk= 1109, nxpk= 10, iat=  -1,1174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  59,  60,
 &end
#
#  76 TYR         HB+   77 ASP          HN  5.50   (#   1110:10  Preassigned   2.14, 3.03 A)
 &rst
  ixpk= 1110, nxpk= 10, iat=  -1,1174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1157,1158,
 &end
#
#  78 LEU         HB+   77 ASP          HN  6.00   (#   1111:10  Preassigned   4.26, 4.71 A)
 &rst
  ixpk= 1111, nxpk= 10, iat=  -1,1174, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1190,1191,
 &end
#
#  78 LEU         HB-   77 ASP          HN  6.00   (#   1112:10  Preassigned   4.26, 4.71 A)
 &rst
  ixpk= 1112, nxpk= 10, iat=  -1,1174, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1190,1191,
 &end
#
#  49 ALA          HN   48 THR          HN  2.80   (#   1113:10  Preassigned   2.23, 2.36 A)
 &rst
  ixpk= 1113, nxpk= 10, iat= 732, 718, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  47 PRO          HA   48 THR          HN  5.50   (#   1115:10  Preassigned   3.51, 3.57 A)
 &rst
  ixpk= 1115, nxpk= 10, iat= 714, 718, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  47 PRO         HD+   48 THR          HN  5.50   (#   1116:10  Preassigned   2.79, 3.70 A)
 &rst
  ixpk= 1116, nxpk= 10, iat=  -1, 718, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 705, 706,
 &end
#
#   0 AMB   10-2:1117   48 THR          HN  4.00   (#   1117:10      Single   Ambig  )
 &rst
  ixpk= 1117, nxpk= 10, iat=  -1, 718, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 705, 706, 720,
 &end
#
#  48 THR          HB   48 THR          HN  4.00   (#   1118:10  Preassigned   2.49, 2.74 A)
 &rst
  ixpk= 1118, nxpk= 10, iat= 722, 718, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  46 ASP         HB-   48 THR          HN  5.50   (#   1119:10  Preassigned   3.12, 4.03 A)
 &rst
  ixpk= 1119, nxpk= 10, iat=  -1, 718, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 696, 697,
 &end
#
#  47 PRO         HB+   48 THR          HN  5.50   (#   1120:10  Preassigned   2.89, 3.74 A)
 &rst
  ixpk= 1120, nxpk= 10, iat=  -1, 718, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 711, 712,
 &end
#
#  47 PRO         HG+   48 THR          HN  5.50   (#   1121:10  Preassigned   2.64, 4.54 A)
 &rst
  ixpk= 1121, nxpk= 10, iat=  -1, 718, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 708, 709,
 &end
#
#  47 PRO         HB-   48 THR          HN  4.00   (#   1122:10  Preassigned   2.89, 3.74 A)
 &rst
  ixpk= 1122, nxpk= 10, iat=  -1, 718, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 711, 712,
 &end
#
#  50 ILE          HB   48 THR          HN  5.50   (#   1123:10  Preassigned   4.65, 4.87 A)
 &rst
  ixpk= 1123, nxpk= 10, iat= 746, 718, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  49 ALA          MB   48 THR          HN  4.00   (#   1124:10  Preassigned   4.52, 5.10 A)
 &rst
  ixpk= 1124, nxpk= 10, iat=  -1, 718, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 736, 737, 738,
 &end
#
#  48 THR         MG2   48 THR          HN  5.50   (#   1125:10  Preassigned   4.25, 4.52 A)
 &rst
  ixpk= 1125, nxpk= 10, iat=  -1, 718, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 724, 725, 726,
 &end
#
#  50 ILE          HN   48 THR          HN  5.50   (#   1126:10  Preassigned   3.72, 3.80 A)
 &rst
  ixpk= 1126, nxpk= 10, iat= 742, 718, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  77 ASP          HN    4 ASN          HN  5.50   (#   1127:10  Preassigned   3.19, 3.59 A)
 &rst
  ixpk= 1127, nxpk= 10, iat=1174,  55, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   10-2:1128    4 ASN          HN  5.50   (#   1128:10      Single   Ambig  )
 &rst
  ixpk= 1128, nxpk= 10, iat=  -1,  55, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  23,1176,
 &end
#
#   4 ASN          HA    4 ASN          HN  5.50   (#   1129:10  Preassigned   2.89, 2.94 A)
 &rst
  ixpk= 1129, nxpk= 10, iat=  57,  55, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   4 ASN         HB-    4 ASN          HN  4.00   (#   1130:10  Preassigned   2.60, 3.41 A)
 &rst
  ixpk= 1130, nxpk= 10, iat=  -1,  55, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=  59,  60,
 &end
#
#   0 AMB   10-2:1131    4 ASN          HN  4.00   (#   1131:10      Single   Ambig  )
 &rst
  ixpk= 1131, nxpk= 10, iat=  -1,  55, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=  45,  46,  45,  46,
 &end
#
#   4 ASN         HB+    4 ASN          HN  5.50   (#   1132:10  Preassigned   2.60, 3.41 A)
 &rst
  ixpk= 1132, nxpk= 10, iat=  -1,  55, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  59,  60,
 &end
#
#  83 GLU          HN   82 MET          HN  4.00   (#   1133:10  Preassigned   2.18, 2.56 A)
 &rst
  ixpk= 1133, nxpk= 10, iat=1274,1257, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB   10-2:1134   82 MET          HN  5.50   (#   1134:10      Single   Ambig  )
 &rst
  ixpk= 1134, nxpk= 10, iat=  -1,1257, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1261,1262,1261,1262,
 &end
#
#  82 MET         HG+   82 MET          HN  5.50   (#   1135:10  Preassigned   2.27, 3.65 A)
 &rst
  ixpk= 1135, nxpk= 10, iat=  -1,1257, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1264,1265,
 &end
#
# 136 ARG          HN  137 GLN          HN  4.00   (#   1136:10  Preassigned   2.55, 2.60 A)
 &rst
  ixpk= 1136, nxpk= 10, iat=2147,2171, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 137 GLN        HE2+  137 GLN          HN  5.50   (#   1137:10  Preassigned   5.20, 5.78 A)
 &rst
  ixpk= 1137, nxpk= 10, iat=  -1,2171, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2183,2184,
 &end
#
# 136 ARG          HA  137 GLN          HN  5.50   (#   1138:10  Preassigned   3.52, 3.54 A)
 &rst
  ixpk= 1138, nxpk= 10, iat=2149,2171, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 137 GLN         HG+  137 GLN          HN  4.00   (#   1140:10  Preassigned   2.45, 2.96 A)
 &rst
  ixpk= 1140, nxpk= 10, iat=  -1,2171, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2178,2179,
 &end
#
#   0 AMB   10-2:1141    0 AMB   10-1:1141  2.80   (#   1141:10      Double   Ambig  )
 &rst
  ixpk= 1141, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=2175,2176,1447,1448,
 igr2=2171,1440,
 &end
#
# 137 GLN         HG-  137 GLN          HN  4.00   (#   1142:10  Preassigned   2.45, 2.96 A)
 &rst
  ixpk= 1142, nxpk= 10, iat=  -1,2171, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2178,2179,
 &end
#
# 136 ARG         HB-  137 GLN          HN  4.00   (#   1143:10  Preassigned   2.46, 3.40 A)
 &rst
  ixpk= 1143, nxpk= 10, iat=  -1,2171, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2151,2152,
 &end
#
# 136 ARG         HG+  137 GLN          HN  7.00   (#   1144:10  Preassigned   2.70, 4.24 A)
 &rst
  ixpk= 1144, nxpk= 10, iat=  -1,2171, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=2154,2155,
 &end
#
#  91 CYS          HN   92 GLU          HN  2.80   (#   1145:10  Preassigned   2.65, 2.73 A)
 &rst
  ixpk= 1145, nxpk= 10, iat=1429,1440, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  93 MET          HN   92 GLU          HN  2.80   (#   1146:10  Preassigned   2.37, 2.69 A)
 &rst
  ixpk= 1146, nxpk= 10, iat=1455,1440, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  92 GLU          HA   92 GLU          HN  2.80   (#   1147:10  Preassigned   2.81, 2.84 A)
 &rst
  ixpk= 1147, nxpk= 10, iat=1442,1440, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  92 GLU         HB-   92 GLU          HN  2.80   (#   1148:10  Preassigned   2.32, 2.61 A)
 &rst
  ixpk= 1148, nxpk= 10, iat=  -1,1440, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1444,1445,
 &end
#
#  92 GLU         HB+   92 GLU          HN  2.80   (#   1149:10  Preassigned   2.32, 2.61 A)
 &rst
  ixpk= 1149, nxpk= 10, iat=  -1,1440, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1444,1445,
 &end
#
# 107 TRP         HD1  106 HIS          HN  6.00   (#   1150:10  Preassigned   4.07, 4.57 A)
 &rst
  ixpk= 1150, nxpk= 10, iat=1685,1660, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 104 PHE          HN  106 HIS          HN  6.00   (#   1151:10  Preassigned   4.24, 4.41 A)
 &rst
  ixpk= 1151, nxpk= 10, iat=1633,1660, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 138 TRP         HE1  106 HIS          HN  5.50   (#   1152:10  Preassigned   2.93, 3.83 A)
 &rst
  ixpk= 1152, nxpk= 10, iat=2198,1660, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 105 GLY          HN  106 HIS          HN  5.50   (#   1153:10  Preassigned   2.74, 2.94 A)
 &rst
  ixpk= 1153, nxpk= 10, iat=1653,1660, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 103 LEU          HN  106 HIS          HN  5.50   (#   1154:10  Preassigned   4.10, 4.57 A)
 &rst
  ixpk= 1154, nxpk= 10, iat=1614,1660, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 106 HIS         HD2  106 HIS          HN  5.50   (#   1155:10  Preassigned   3.31, 4.79 A)
 &rst
  ixpk= 1155, nxpk= 10, iat=1673,1660, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 105 GLY         HA+  106 HIS          HN  5.50   (#   1156:10  Preassigned   3.08, 3.36 A)
 &rst
  ixpk= 1156, nxpk= 10, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1655,1656,
 &end
#
# 105 GLY         HA-  106 HIS          HN  5.50   (#   1157:10  Preassigned   3.08, 3.36 A)
 &rst
  ixpk= 1157, nxpk= 10, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1655,1656,
 &end
#
# 106 HIS          HA  106 HIS          HN  4.00   (#   1158:10  Preassigned   2.74, 2.81 A)
 &rst
  ixpk= 1158, nxpk= 10, iat=1662,1660, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 106 HIS         HB-  106 HIS          HN  2.80   (#   1159:10  Preassigned   2.31, 2.55 A)
 &rst
  ixpk= 1159, nxpk= 10, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1664,1665,
 &end
#
# 106 HIS         HB+  106 HIS          HN  4.00   (#   1160:10  Preassigned   2.31, 2.55 A)
 &rst
  ixpk= 1160, nxpk= 10, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1664,1665,
 &end
#
# 103 LEU         HB-  106 HIS          HN  4.00   (#   1161:10  Preassigned   2.67, 4.15 A)
 &rst
  ixpk= 1161, nxpk= 10, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1618,1619,
 &end
#
# 103 LEU         HB+  106 HIS          HN  4.00   (#   1162:10  Preassigned   2.67, 4.15 A)
 &rst
  ixpk= 1162, nxpk= 10, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1618,1619,
 &end
#
# 103 LEU         MDX  106 HIS          HN  5.50   (#   1163:10  Preassigned   2.57, 5.23 A)
 &rst
  ixpk= 1163, nxpk= 10, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
# 103 LEU         MDY  106 HIS          HN  6.00   (#   1164:10  Preassigned   2.57, 5.23 A)
 &rst
  ixpk= 1164, nxpk= 10, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
# 103 LEU         MDY  111 CYS          HN  6.00   (#   1165:10  Preassigned   3.82, 6.51 A)
 &rst
  ixpk= 1165, nxpk= 10, iat=  -1,1742, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
#  97 MET          HN   96 GLU          HN  4.00   (#   1166:10  Preassigned   2.05, 2.69 A)
 &rst
  ixpk= 1166, nxpk= 10, iat=1511,1496, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  98 ARG          HN   96 GLU          HN  6.00   (#   1167:10  Preassigned   3.27, 4.27 A)
 &rst
  ixpk= 1167, nxpk= 10, iat=1528,1496, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   0 AMB   10-2:1168   96 GLU          HN  7.00   (#   1168:10      Single   Ambig  )
 &rst
  ixpk= 1168, nxpk= 10, iat=  -1,1496, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1053,1054,1056,1057,
 &end
#
#  94 ALA          HA   96 GLU          HN  5.50   (#   1169:10  Preassigned   3.22, 3.45 A)
 &rst
  ixpk= 1169, nxpk= 10, iat=1474,1496, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  95 PRO          HA   96 GLU          HN  5.50   (#   1170:10  Preassigned   3.31, 3.51 A)
 &rst
  ixpk= 1170, nxpk= 10, iat=1492,1496, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  96 GLU          HA   96 GLU          HN  4.00   (#   1171:10  Preassigned   2.78, 2.86 A)
 &rst
  ixpk= 1171, nxpk= 10, iat=1498,1496, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  95 PRO         HD-   96 GLU          HN  5.50   (#   1172:10  Preassigned   2.79, 3.52 A)
 &rst
  ixpk= 1172, nxpk= 10, iat=  -1,1496, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1483,1484,
 &end
#
#  95 PRO         HD+   96 GLU          HN  5.50   (#   1173:10  Preassigned   2.79, 3.52 A)
 &rst
  ixpk= 1173, nxpk= 10, iat=  -1,1496, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1483,1484,
 &end
#
#  96 GLU         HG+   96 GLU          HN  4.00   (#   1174:10  Preassigned   1.92, 3.16 A)
 &rst
  ixpk= 1174, nxpk= 10, iat=  -1,1496, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1503,1504,
 &end
#
#  96 GLU         HB-   96 GLU          HN  4.00   (#   1175:10  Preassigned   2.45, 3.05 A)
 &rst
  ixpk= 1175, nxpk= 10, iat=  -1,1496, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1500,1501,
 &end
#
#   0 AMB   10-2:1176   96 GLU          HN  2.80   (#   1176:10      Single   Ambig  )
 &rst
  ixpk= 1176, nxpk= 10, iat=  -1,1496, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1503,1504,1486,1487,
 &end
#
#   0 AMB   10-2:1177   96 GLU          HN  5.50   (#   1177:10      Single   Ambig  )
 &rst
  ixpk= 1177, nxpk= 10, iat=  -1,1496, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1535,1536,1532,1533,
 &end
#
#  94 ALA          MB   96 GLU          HN  5.50   (#   1178:10  Preassigned   3.42, 4.69 A)
 &rst
  ixpk= 1178, nxpk= 10, iat=  -1,1496, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1476,1477,1478,
 &end
#
#  97 MET          HA   96 GLU          HN  6.00   (#   1179:10  Preassigned   4.72, 5.31 A)
 &rst
  ixpk= 1179, nxpk= 10, iat=1513,1496, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  86 HIS          HN   85 ARG          HN  5.50   (#   1181:10  Preassigned   2.73, 2.81 A)
 &rst
  ixpk= 1181, nxpk= 10, iat=1335,1311, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  83 GLU          HA   85 ARG          HN  5.50   (#   1183:10  Preassigned   3.87, 4.18 A)
 &rst
  ixpk= 1183, nxpk= 10, iat=1276,1311, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  85 ARG          HA   85 ARG          HN  4.00   (#   1184:10  Preassigned   2.81, 2.84 A)
 &rst
  ixpk= 1184, nxpk= 10, iat=1313,1311, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  84 LYS          HA   85 ARG          HN  5.50   (#   1185:10  Preassigned   3.52, 3.56 A)
 &rst
  ixpk= 1185, nxpk= 10, iat=1291,1311, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  85 ARG         HD+   85 ARG          HN  7.00   (#   1186:10  Preassigned   3.21, 4.41 A)
 &rst
  ixpk= 1186, nxpk= 10, iat=  -1,1311, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1321,1322,
 &end
#
#   0 AMB   10-2:1187   85 ARG          HN  7.00   (#   1187:10      Single   Ambig  )
 &rst
  ixpk= 1187, nxpk= 10, iat=  -1,1311, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1760,1761,1757,1758,
 &end
#
#   0 AMB   10-2:1188   85 ARG          HN  4.00   (#   1188:10      Single   Ambig  )
 &rst
  ixpk= 1188, nxpk= 10, iat=  -1,1311, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1315,1316,1293,1294,
 &end
#
#   0 AMB   10-2:1189   85 ARG          HN  2.80   (#   1189:10      Single   Ambig  )
 &rst
  ixpk= 1189, nxpk= 10, iat=  -1,1311, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1281,1282,1315,1316,
 &end
#
#  85 ARG         HG-   85 ARG          HN  4.00   (#   1190:10  Preassigned   2.11, 2.83 A)
 &rst
  ixpk= 1190, nxpk= 10, iat=  -1,1311, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1318,1319,
 &end
#
#  83 GLU         HB-   85 ARG          HN  5.50   (#   1192:10  Preassigned   2.38, 3.48 A)
 &rst
  ixpk= 1192, nxpk= 10, iat=  -1,1311, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1278,1279,
 &end
#
#  96 GLU          HN   97 MET          HN  5.50   (#   1193:10  Preassigned   2.05, 2.69 A)
 &rst
  ixpk= 1193, nxpk= 10, iat=1496,1511, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  96 GLU         HG+   97 MET          HN  4.00   (#   1194:10  Preassigned   2.68, 3.94 A)
 &rst
  ixpk= 1194, nxpk= 10, iat=  -1,1511, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1503,1504,
 &end
#
#  98 ARG          HN   97 MET          HN  4.00   (#   1195:10  Preassigned   1.96, 2.35 A)
 &rst
  ixpk= 1195, nxpk= 10, iat=1528,1511, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  95 PRO          HA   97 MET          HN  5.50   (#   1196:10  Preassigned   3.34, 3.63 A)
 &rst
  ixpk= 1196, nxpk= 10, iat=1492,1511, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  97 MET         HG+   97 MET          HN  4.00   (#   1197:10  Preassigned   2.29, 3.64 A)
 &rst
  ixpk= 1197, nxpk= 10, iat=  -1,1511, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1518,1519,
 &end
#
#   0 AMB   10-2:1198   97 MET          HN  2.80   (#   1198:10      Single   Ambig  )
 &rst
  ixpk= 1198, nxpk= 10, iat=  -1,1511, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1515,1516,1503,1504,
 &end
#
#  94 ALA          MB   97 MET          HN  4.00   (#   1199:10  Preassigned   3.10, 4.20 A)
 &rst
  ixpk= 1199, nxpk= 10, iat=  -1,1511, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=1476,1477,1478,
 &end
#
#  30 LEU         MDX   27 HIS          HN  6.00   (#   1200:10  Preassigned   5.32, 7.71 A)
 &rst
  ixpk= 1200, nxpk= 10, iat=  -1, 429, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 484, 485, 486, 488, 489, 490,
 &end
#
# 138 TRP          HN  137 GLN          HN  4.00   (#   1201:10  Preassigned   2.76, 2.81 A)
 &rst
  ixpk= 1201, nxpk= 10, iat=2188,2171, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 134 SER          HA  137 GLN          HN  5.50   (#   1202:10  Preassigned   3.20, 3.37 A)
 &rst
  ixpk= 1202, nxpk= 10, iat=2128,2171, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 137 GLN          HA  137 GLN          HN  2.80   (#   1203:10  Preassigned   2.83, 2.87 A)
 &rst
  ixpk= 1203, nxpk= 10, iat=2173,2171, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
# 136 ARG         HB+  137 GLN          HN  5.50   (#   1204:10  Preassigned   2.46, 3.40 A)
 &rst
  ixpk= 1204, nxpk= 10, iat=  -1,2171, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2151,2152,
 &end
#
#  29 GLU          HA   29 GLU          HN  4.00   (#   1207:10  Preassigned   2.86, 2.92 A)
 &rst
  ixpk= 1207, nxpk= 10, iat= 462, 460, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  29 GLU         HB+   29 GLU          HN  4.00   (#   1208:10  Preassigned   2.37, 3.06 A)
 &rst
  ixpk= 1208, nxpk= 10, iat=  -1, 460, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 464, 465,
 &end
#
#  30 LEU          HN   29 GLU          HN  5.50   (#   1209:10  Preassigned   2.19, 2.61 A)
 &rst
  ixpk= 1209, nxpk= 10, iat= 475, 460, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  27 HIS          HA   29 GLU          HN  5.50   (#   1210:10  Preassigned   3.10, 3.49 A)
 &rst
  ixpk= 1210, nxpk= 10, iat= 431, 460, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  29 GLU         HG+   29 GLU          HN  5.50   (#   1211:10  Preassigned   2.03, 3.39 A)
 &rst
  ixpk= 1211, nxpk= 10, iat=  -1, 460, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 467, 468,
 &end
#
#  84 LYS          HN   85 ARG          HN  5.50   (#   1212:10  Preassigned   2.50, 2.75 A)
 &rst
  ixpk= 1212, nxpk= 10, iat=1289,1311, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  83 GLU         HB+   85 ARG          HN  4.00   (#   1213:10  Preassigned   2.38, 3.48 A)
 &rst
  ixpk= 1213, nxpk= 10, iat=  -1,1311, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1278,1279,
 &end
#
#   0 AMB   10-2:1216    0 AMB   10-1:1216  4.00   (#   1216:10      Double   Ambig  )
 &rst
  ixpk= 1216, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1797, 350,
 igr2=1801, 348,
 &end
#
# 104 PHE          HZ   23 LEU          HN  6.00   (#   1217:10  Preassigned   4.90, 5.52 A)
 &rst
  ixpk= 1217, nxpk= 10, iat=1645, 348, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  32 VAL         MGY   23 LEU          HN  6.00   (#   1218:10  Preassigned   3.85, 5.48 A)
 &rst
  ixpk= 1218, nxpk= 10, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 522, 523, 524, 526, 527, 528,
 &end
#
#  24 GLN          HN   23 LEU          HN  2.80   (#   1219:10  Preassigned   2.67, 2.79 A)
 &rst
  ixpk= 1219, nxpk= 10, iat= 367, 348, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   0 AMB   10-2:1220   23 LEU          HN  5.50   (#   1220:10      Single   Ambig  )
 &rst
  ixpk= 1220, nxpk= 10, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 305, 384,
 &end
#
#  22 LEU          HA   23 LEU          HN  4.00   (#   1222:10  Preassigned   3.59, 3.61 A)
 &rst
  ixpk= 1222, nxpk= 10, iat= 331, 348, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  19 ALA          HA   23 LEU          HN  5.50   (#   1223:10  Preassigned   3.71, 3.87 A)
 &rst
  ixpk= 1223, nxpk= 10, iat= 282, 348, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  22 LEU         HB+   23 LEU          HN  4.00   (#   1224:10  Preassigned   2.42, 3.02 A)
 &rst
  ixpk= 1224, nxpk= 10, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 333, 334,
 &end
#
#  23 LEU         HB+   23 LEU          HN  4.00   (#   1225:10  Preassigned   2.24, 2.94 A)
 &rst
  ixpk= 1225, nxpk= 10, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 352, 353,
 &end
#
#  23 LEU         HB-   23 LEU          HN  2.80   (#   1226:10  Preassigned   2.24, 2.94 A)
 &rst
  ixpk= 1226, nxpk= 10, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 352, 353,
 &end
#
#  22 LEU         HB-   23 LEU          HN  5.50   (#   1227:10  Preassigned   2.42, 3.02 A)
 &rst
  ixpk= 1227, nxpk= 10, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 333, 334,
 &end
#
#  23 LEU         MDY   23 LEU          HN  4.00   (#   1228:10  Preassigned   2.38, 4.45 A)
 &rst
  ixpk= 1228, nxpk= 10, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 357, 358, 359, 361, 362, 363,
 &end
#
#  23 LEU         MDX   23 LEU          HN  5.50   (#   1229:10  Preassigned   2.38, 4.45 A)
 &rst
  ixpk= 1229, nxpk= 10, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 357, 358, 359, 361, 362, 363,
 &end
#
#   0 AMB   10-2:1230   23 LEU          HN  5.50   (#   1230:10      Single   Ambig  )
 &rst
  ixpk= 1230, nxpk= 10, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 284, 285, 286, 113, 114, 115, 117, 118, 119,
 &end
#
#  22 LEU         MDY   23 LEU          HN  5.50   (#   1231:10  Preassigned   4.63, 5.69 A)
 &rst
  ixpk= 1231, nxpk= 10, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#  23 LEU          HA   27 HIS          HN  6.00   (#   1232:10  Preassigned   3.93, 4.28 A)
 &rst
  ixpk= 1232, nxpk= 10, iat= 350, 429, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  26 TYR          HN   27 HIS          HN  4.00   (#   1233:10  Preassigned   2.36, 2.60 A)
 &rst
  ixpk= 1233, nxpk= 10, iat= 408, 429, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  26 TYR          HD   27 HIS          HN  5.50   (#   1235:10  Preassigned   4.83, 5.32 A)
 &rst
  ixpk= 1235, nxpk= 10, iat=  -1, 429, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 416, 425,
 &end
#
#  27 HIS         HD2   27 HIS          HN  5.50   (#   1236:10  Preassigned   3.61, 4.80 A)
 &rst
  ixpk= 1236, nxpk= 10, iat= 442, 429, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  27 HIS          HA   27 HIS          HN  4.00   (#   1237:10  Preassigned   2.92, 2.97 A)
 &rst
  ixpk= 1237, nxpk= 10, iat= 431, 429, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  26 TYR          HA   27 HIS          HN  5.50   (#   1238:10  Preassigned   3.29, 3.50 A)
 &rst
  ixpk= 1238, nxpk= 10, iat= 410, 429, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  28 PRO         HD+   27 HIS          HN  5.50   (#   1240:10  Preassigned   2.96, 3.79 A)
 &rst
  ixpk= 1240, nxpk= 10, iat=  -1, 429, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 447, 448,
 &end
#
#  28 PRO         HD-   27 HIS          HN  4.00   (#   1241:10  Preassigned   2.96, 3.79 A)
 &rst
  ixpk= 1241, nxpk= 10, iat=  -1, 429, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 447, 448,
 &end
#
#  27 HIS         HB+   27 HIS          HN  2.80   (#   1242:10  Preassigned   2.60, 3.21 A)
 &rst
  ixpk= 1242, nxpk= 10, iat=  -1, 429, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 433, 434,
 &end
#
#  26 TYR         HB-   27 HIS          HN  4.00   (#   1243:10  Preassigned   2.82, 3.66 A)
 &rst
  ixpk= 1243, nxpk= 10, iat=  -1, 429, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 412, 413,
 &end
#
#  27 HIS         HB-   27 HIS          HN  2.80   (#   1244:10  Preassigned   2.60, 3.21 A)
 &rst
  ixpk= 1244, nxpk= 10, iat=  -1, 429, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 433, 434,
 &end
#
# 139 ALA          MB   27 HIS          HN  5.50   (#   1246:10  Preassigned   4.42, 5.50 A)
 &rst
  ixpk= 1246, nxpk= 10, iat=  -1, 429, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=2216,2217,2218,
 &end
#
#  85 ARG          HN   86 HIS          HN  5.50   (#   1249:10  Preassigned   2.73, 2.81 A)
 &rst
  ixpk= 1249, nxpk= 10, iat=1311,1335, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  83 GLU          HN   86 HIS          HN  5.50   (#   1250:10  Preassigned   3.51, 3.79 A)
 &rst
  ixpk= 1250, nxpk= 10, iat=1274,1335, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  86 HIS         HD1   86 HIS          HN  5.50   (#   1251:10  Preassigned   2.21, 3.04 A)
 &rst
  ixpk= 1251, nxpk= 10, iat=1343,1335, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  84 LYS          HA   86 HIS          HN  5.50   (#   1252:10  Preassigned   3.58, 3.92 A)
 &rst
  ixpk= 1252, nxpk= 10, iat=1291,1335, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  86 HIS         HB-   86 HIS          HN  4.00   (#   1253:10  Preassigned   2.32, 3.06 A)
 &rst
  ixpk= 1253, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1339,1340,
 &end
#
#  87 ILE          HA   86 HIS          HN  6.00   (#   1254:10  Preassigned   5.07, 5.11 A)
 &rst
  ixpk= 1254, nxpk= 10, iat=1354,1335, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  86 HIS         HB+   86 HIS          HN  5.50   (#   1255:10  Preassigned   2.32, 3.06 A)
 &rst
  ixpk= 1255, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1339,1340,
 &end
#
#   0 AMB   10-2:1256   86 HIS          HN  5.50   (#   1256:10      Single   Ambig  )
 &rst
  ixpk= 1256, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1356,1378,1379,
 &end
#
#  87 ILE        HG1+   86 HIS          HN  5.50   (#   1257:10  Preassigned   3.88, 4.96 A)
 &rst
  ixpk= 1257, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1362,1363,
 &end
#
#  85 ARG         HG-   86 HIS          HN  5.50   (#   1258:10  Preassigned   2.55, 4.14 A)
 &rst
  ixpk= 1258, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1318,1319,
 &end
#
#  85 ARG         HG+   86 HIS          HN  5.50   (#   1259:10  Preassigned   2.55, 4.14 A)
 &rst
  ixpk= 1259, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1318,1319,
 &end
#
# 115 ASP         HB+  115 ASP          HN  4.00   (#   1260:10  Preassigned   2.32, 2.78 A)
 &rst
  ixpk= 1260, nxpk= 10, iat=  -1,1801, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1805,1806,
 &end
#
# 115 ASP         HB-  115 ASP          HN  2.80   (#   1261:10  Preassigned   2.32, 2.78 A)
 &rst
  ixpk= 1261, nxpk= 10, iat=  -1,1801, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1805,1806,
 &end
#
#   0 AMB   10-2:1263  143 ASN          HN  2.80   (#   1263:10      Single   Ambig  )
 &rst
  ixpk= 1263, nxpk= 10, iat=  -1,2268, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2249,2282,
 &end
#
# 142 LEU          HA  143 ASN          HN  4.00   (#   1265:10  Preassigned   3.56, 3.62 A)
 &rst
  ixpk= 1265, nxpk= 10, iat=2251,2268, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 143 ASN         HB+  143 ASN          HN  4.00   (#   1266:10  Preassigned   2.28, 2.52 A)
 &rst
  ixpk= 1266, nxpk= 10, iat=  -1,2268, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2272,2273,
 &end
#
# 143 ASN         HB-  143 ASN          HN  2.80   (#   1267:10  Preassigned   2.28, 2.52 A)
 &rst
  ixpk= 1267, nxpk= 10, iat=  -1,2268, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2272,2273,
 &end
#
# 139 ALA          MB  143 ASN          HN  5.50   (#   1268:10  Preassigned   4.69, 5.48 A)
 &rst
  ixpk= 1268, nxpk= 10, iat=  -1,2268, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=2216,2217,2218,
 &end
#
# 144 ALA          MB  143 ASN          HN  5.50   (#   1269:10  Preassigned   4.36, 5.51 A)
 &rst
  ixpk= 1269, nxpk= 10, iat=  -1,2268, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=2286,2287,2288,
 &end
#
# 141 ALA          MB  143 ASN          HN  5.50   (#   1270:10  Preassigned   4.99, 5.57 A)
 &rst
  ixpk= 1270, nxpk= 10, iat=  -1,2268, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=2243,2244,2245,
 &end
#
# 142 LEU         MDX  143 ASN          HN  7.00   (#   1271:10  Preassigned   5.04, 5.91 A)
 &rst
  ixpk= 1271, nxpk= 10, iat=  -1,2268, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=2258,2259,2260,2262,2263,2264,
 &end
#
#  94 ALA          HN   93 MET          HN  2.80   (#   1272:10  Preassigned   2.68, 2.78 A)
 &rst
  ixpk= 1272, nxpk= 10, iat=1472,1455, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  92 GLU          HN   93 MET          HN  2.80   (#   1273:10  Preassigned   2.37, 2.69 A)
 &rst
  ixpk= 1273, nxpk= 10, iat=1440,1455, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  94 ALA          HA   93 MET          HN  5.50   (#   1274:10  Preassigned   5.36, 5.41 A)
 &rst
  ixpk= 1274, nxpk= 10, iat=1474,1455, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   10-2:1275   93 MET          HN  4.00   (#   1275:10      Single   Ambig  )
 &rst
  ixpk= 1275, nxpk= 10, iat=  -1,1455, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1412,1431,
 &end
#
#   0 AMB   10-2:1276   93 MET          HN  7.00   (#   1276:10      Single   Ambig  )
 &rst
  ixpk= 1276, nxpk= 10, iat=  -1,1455, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1483,1484,1396,1397,
 &end
#
#  93 MET         HG-   93 MET          HN  5.50   (#   1277:10  Preassigned   2.40, 3.12 A)
 &rst
  ixpk= 1277, nxpk= 10, iat=  -1,1455, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1462,1463,
 &end
#
#  93 MET         HG+   93 MET          HN  5.50   (#   1278:10  Preassigned   2.40, 3.12 A)
 &rst
  ixpk= 1278, nxpk= 10, iat=  -1,1455, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1462,1463,
 &end
#
#  93 MET          ME   93 MET          HN  5.50   (#   1279:10  Preassigned   3.94, 5.77 A)
 &rst
  ixpk= 1279, nxpk= 10, iat=  -1,1455, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1466,1467,1468,
 &end
#
#  94 ALA          MB   93 MET          HN  5.50   (#   1280:10  Preassigned   5.02, 5.74 A)
 &rst
  ixpk= 1280, nxpk= 10, iat=  -1,1455, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1476,1477,1478,
 &end
#
#  86 HIS          HA   86 HIS          HN  5.50   (#   1281:10  Preassigned   2.95, 2.97 A)
 &rst
  ixpk= 1281, nxpk= 10, iat=1337,1335, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  85 ARG         HB+   86 HIS          HN  5.50   (#   1282:10  Preassigned   2.77, 3.70 A)
 &rst
  ixpk= 1282, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1315,1316,
 &end
#
#  84 LYS          HN   86 HIS          HN  5.50   (#   1283:10  Preassigned   4.03, 4.25 A)
 &rst
  ixpk= 1283, nxpk= 10, iat=1289,1335, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  87 ILE          HN   86 HIS          HN  4.00   (#   1284:10  Preassigned   2.41, 2.48 A)
 &rst
  ixpk= 1284, nxpk= 10, iat=1352,1335, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB   10-2:1286   86 HIS          HN  5.50   (#   1286:10      Single   Ambig  )
 &rst
  ixpk= 1286, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1313,1247,
 &end
#
#  83 GLU         HB+   86 HIS          HN  5.50   (#   1287:10  Preassigned   2.52, 3.68 A)
 &rst
  ixpk= 1287, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1278,1279,
 &end
#
#  83 GLU         HG+   86 HIS          HN  6.00   (#   1288:10  Preassigned   2.30, 4.65 A)
 &rst
  ixpk= 1288, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1281,1282,
 &end
#
#  85 ARG         HB+   86 HIS          HN  5.50   (#   1289:10  Preassigned   2.77, 3.70 A)
 &rst
  ixpk= 1289, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1315,1316,
 &end
#
#  81 THR         MG2   86 HIS          HN  5.50   (#   1290:10  Preassigned   4.44, 5.46 A)
 &rst
  ixpk= 1290, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1249,1250,1251,
 &end
#
#   0 AMB   10-2:1291   86 HIS          HN  5.50   (#   1291:10      Single   Ambig  )
 &rst
  ixpk= 1291, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1358,1359,1360,1365,1366,1367,
 &end
#
# 103 LEU         MDX   86 HIS          HN  5.50   (#   1292:10  Preassigned   4.73, 6.94 A)
 &rst
  ixpk= 1292, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
#   0 AMB   10-2:1293   86 HIS          HN  5.50   (#   1293:10      Single   Ambig  )
 &rst
  ixpk= 1293, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 584, 585, 586, 588, 589, 590,1623,1624,1625,1627,
      1628,1629,
 &end
#
#  83 GLU         HB-   86 HIS          HN  5.50   (#   1294:10  Preassigned   2.52, 3.68 A)
 &rst
  ixpk= 1294, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1278,1279,
 &end
#
# 135 ALA          HN  136 ARG          HN  5.50   (#   1295:10  Preassigned   2.64, 2.72 A)
 &rst
  ixpk= 1295, nxpk= 10, iat=2137,2147, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 137 GLN          HN  136 ARG          HN  4.00   (#   1296:10  Preassigned   2.55, 2.60 A)
 &rst
  ixpk= 1296, nxpk= 10, iat=2171,2147, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  26 TYR          HD  136 ARG          HN  5.50   (#   1297:10  Preassigned   3.78, 5.85 A)
 &rst
  ixpk= 1297, nxpk= 10, iat=  -1,2147, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 416, 425,
 &end
#
# 134 SER          HA  136 ARG          HN  6.00   (#   1298:10  Preassigned   4.58, 4.71 A)
 &rst
  ixpk= 1298, nxpk= 10, iat=2128,2147, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 133 ARG          HA  136 ARG          HN  5.50   (#   1299:10  Preassigned   3.58, 3.80 A)
 &rst
  ixpk= 1299, nxpk= 10, iat=2104,2147, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   10-2:1300  136 ARG          HN  5.50   (#   1300:10      Single   Ambig  )
 &rst
  ixpk= 1300, nxpk= 10, iat=  -1,2147, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2157,2158,2157,2158,
 &end
#
#   0 AMB   10-2:1301  136 ARG          HN  5.50   (#   1301:10      Single   Ambig  )
 &rst
  ixpk= 1301, nxpk= 10, iat=  -1,2147, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2094,2095,2175,2176,
 &end
#
#  91 CYS          HN   93 MET          HN  5.50   (#   1302:10  Preassigned   4.05, 4.14 A)
 &rst
  ixpk= 1302, nxpk= 10, iat=1429,1455, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 123 THR          HN  122 GLU          HN  5.50   (#   1303:10  Preassigned   2.59, 2.78 A)
 &rst
  ixpk= 1303, nxpk= 10, iat=1944,1929, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 120 SER         HB-  122 GLU          HN  4.00   (#   1304:10  Preassigned   2.41, 3.17 A)
 &rst
  ixpk= 1304, nxpk= 10, iat=  -1,1929, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1898,1899,
 &end
#
# 122 GLU          HA  122 GLU          HN  4.00   (#   1305:10  Preassigned   2.82, 2.85 A)
 &rst
  ixpk= 1305, nxpk= 10, iat=1931,1929, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 120 SER         HB+  122 GLU          HN  5.50   (#   1307:10  Preassigned   2.41, 3.17 A)
 &rst
  ixpk= 1307, nxpk= 10, iat=  -1,1929, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1898,1899,
 &end
#
# 121 ARG         HG+  122 GLU          HN  7.00   (#   1308:10  Preassigned   2.52, 4.70 A)
 &rst
  ixpk= 1308, nxpk= 10, iat=  -1,1929, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1912,1913,
 &end
#
#  19 ALA          HN   20 GLU          HN  4.00   (#   1309:10  Preassigned   2.77, 2.87 A)
 &rst
  ixpk= 1309, nxpk= 10, iat= 280, 290, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB   10-2:1310   20 GLU          HN  4.00   (#   1310:10      Single   Ambig  )
 &rst
  ixpk= 1310, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1= 113, 114, 115, 117, 118, 119, 284, 285, 286,
 &end
#
#  21 ARG          HN   20 GLU          HN  4.00   (#   1311:10  Preassigned   2.75, 2.81 A)
 &rst
  ixpk= 1311, nxpk= 10, iat= 305, 290, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  18 THR          HN   20 GLU          HN  5.50   (#   1312:10  Preassigned   4.19, 4.41 A)
 &rst
  ixpk= 1312, nxpk= 10, iat= 266, 290, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  18 THR          HB   20 GLU          HN  6.00   (#   1313:10  Preassigned   5.02, 5.20 A)
 &rst
  ixpk= 1313, nxpk= 10, iat= 270, 290, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  17 PRO          HA   20 GLU          HN  5.50   (#   1314:10  Preassigned   3.32, 3.76 A)
 &rst
  ixpk= 1314, nxpk= 10, iat= 262, 290, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   10-2:1315   20 GLU          HN  4.00   (#   1315:10      Single   Ambig  )
 &rst
  ixpk= 1315, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 292, 282,
 &end
#
#  20 GLU         HB+   20 GLU          HN  4.00   (#   1316:10  Preassigned   2.13, 2.94 A)
 &rst
  ixpk= 1316, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 294, 295,
 &end
#
#  20 GLU         HB-   20 GLU          HN  4.00   (#   1317:10  Preassigned   2.13, 2.94 A)
 &rst
  ixpk= 1317, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 294, 295,
 &end
#
#   7 VAL          HB   20 GLU          HN  5.50   (#   1318:10  Preassigned   3.77, 4.08 A)
 &rst
  ixpk= 1318, nxpk= 10, iat= 111, 290, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  32 VAL         MGY   20 GLU          HN  5.50   (#   1320:10  Preassigned   4.47, 6.35 A)
 &rst
  ixpk= 1320, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 522, 523, 524, 526, 527, 528,
 &end
#
#   7 VAL         MGX   20 GLU          HN  5.50   (#   1321:10  Preassigned   2.45, 4.69 A)
 &rst
  ixpk= 1321, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 113, 114, 115, 117, 118, 119,
 &end
#
# 138 TRP          HN  136 ARG          HN  6.00   (#   1322:10  Preassigned   4.21, 4.34 A)
 &rst
  ixpk= 1322, nxpk= 10, iat=2188,2147, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  26 TYR          HE  136 ARG          HN  5.50   (#   1323:10  Preassigned   2.89, 5.21 A)
 &rst
  ixpk= 1323, nxpk= 10, iat=  -1,2147, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 418, 423,
 &end
#
# 135 ALA          HA  136 ARG          HN  5.50   (#   1324:10  Preassigned   3.60, 3.64 A)
 &rst
  ixpk= 1324, nxpk= 10, iat=2139,2147, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 132 GLU          HA  136 ARG          HN  5.50   (#   1325:10  Preassigned   3.41, 3.48 A)
 &rst
  ixpk= 1325, nxpk= 10, iat=2089,2147, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 136 ARG          HA  136 ARG          HN  5.50   (#   1326:10  Preassigned   2.84, 2.86 A)
 &rst
  ixpk= 1326, nxpk= 10, iat=2149,2147, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 136 ARG         HB+  136 ARG          HN  5.50   (#   1327:10  Preassigned   2.19, 2.71 A)
 &rst
  ixpk= 1327, nxpk= 10, iat=  -1,2147, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2151,2152,
 &end
#
#   0 AMB   10-2:1328  136 ARG          HN  2.80   (#   1328:10      Single   Ambig  )
 &rst
  ixpk= 1328, nxpk= 10, iat=  -1,2147, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1=2151,2152,2141,2142,2143,
 &end
#
# 136 ARG         HG-  136 ARG          HN  4.00   (#   1329:10  Preassigned   2.36, 3.93 A)
 &rst
  ixpk= 1329, nxpk= 10, iat=  -1,2147, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2154,2155,
 &end
#
# 136 ARG         HG+  136 ARG          HN  5.50   (#   1330:10  Preassigned   2.36, 3.93 A)
 &rst
  ixpk= 1330, nxpk= 10, iat=  -1,2147, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2154,2155,
 &end
#
#  22 LEU         MDX  136 ARG          HN  6.00   (#   1331:10  Preassigned   3.87, 6.20 A)
 &rst
  ixpk= 1331, nxpk= 10, iat=  -1,2147, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#  90 LEU          HN   89 ARG          HN  4.00   (#   1332:10  Preassigned   2.52, 2.68 A)
 &rst
  ixpk= 1332, nxpk= 10, iat=1410,1386, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  86 HIS          HA   89 ARG          HN  5.50   (#   1333:10  Preassigned   2.90, 3.02 A)
 &rst
  ixpk= 1333, nxpk= 10, iat=1337,1386, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  89 ARG         HD+   89 ARG          HN  5.50   (#   1334:10  Preassigned   2.25, 4.00 A)
 &rst
  ixpk= 1334, nxpk= 10, iat=  -1,1386, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1396,1397,
 &end
#
#  88 GLU         HG-   89 ARG          HN  5.50   (#   1335:10  Preassigned   3.55, 4.54 A)
 &rst
  ixpk= 1335, nxpk= 10, iat=  -1,1386, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1378,1379,
 &end
#
#   0 AMB   10-2:1337   89 ARG          HN  5.50   (#   1337:10      Single   Ambig  )
 &rst
  ixpk= 1337, nxpk= 10, iat=  -1,1386, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1419,1420,1421,1423,1424,1425,1358,1359,1360,
 &end
#
#   0 AMB   10-2:1338   89 ARG          HN  5.50   (#   1338:10      Single   Ambig  )
 &rst
  ixpk= 1338, nxpk= 10, iat=  -1,1386, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 584, 585, 586, 588, 589, 590,1419,1420,1421,1423,
      1424,1425,
 &end
#
#  89 ARG         HD-   89 ARG          HN  7.00   (#   1339:10  Preassigned   2.25, 4.00 A)
 &rst
  ixpk= 1339, nxpk= 10, iat=  -1,1386, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1396,1397,
 &end
#
#  90 LEU          HN   88 GLU          HN  5.50   (#   1340:10  Preassigned   4.34, 4.50 A)
 &rst
  ixpk= 1340, nxpk= 10, iat=1410,1371, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  89 ARG          HN   88 GLU          HN  4.00   (#   1341:10  Preassigned   2.83, 2.91 A)
 &rst
  ixpk= 1341, nxpk= 10, iat=1386,1371, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  87 ILE          HN   88 GLU          HN  2.80   (#   1342:10  Preassigned   2.58, 2.77 A)
 &rst
  ixpk= 1342, nxpk= 10, iat=1352,1371, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  85 ARG          HA   88 GLU          HN  5.50   (#   1343:10  Preassigned   3.21, 3.44 A)
 &rst
  ixpk= 1343, nxpk= 10, iat=1313,1371, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  88 GLU          HA   88 GLU          HN  4.00   (#   1344:10  Preassigned   2.80, 2.84 A)
 &rst
  ixpk= 1344, nxpk= 10, iat=1373,1371, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  84 LYS          HA   88 GLU          HN  5.50   (#   1345:10  Preassigned   3.81, 4.04 A)
 &rst
  ixpk= 1345, nxpk= 10, iat=1291,1371, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  87 ILE          HA   88 GLU          HN  5.50   (#   1346:10  Preassigned   3.54, 3.60 A)
 &rst
  ixpk= 1346, nxpk= 10, iat=1354,1371, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  88 GLU         HG+   88 GLU          HN  4.00   (#   1347:10  Preassigned   2.25, 3.64 A)
 &rst
  ixpk= 1347, nxpk= 10, iat=  -1,1371, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1378,1379,
 &end
#
#   0 AMB   10-2:1348   88 GLU          HN  2.80   (#   1348:10      Single   Ambig  )
 &rst
  ixpk= 1348, nxpk= 10, iat=  -1,1371, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1378,1379,1356,
 &end
#
#   0 AMB   10-2:1349   88 GLU          HN  2.80   (#   1349:10      Single   Ambig  )
 &rst
  ixpk= 1349, nxpk= 10, iat=  -1,1371, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1375,1376,1375,1376,
 &end
#
#   0 AMB   10-2:1350   88 GLU          HN  5.50   (#   1350:10      Single   Ambig  )
 &rst
  ixpk= 1350, nxpk= 10, iat=  -1,1371, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1390,1391,1390,1391,
 &end
#
#   0 AMB   10-2:1351   88 GLU          HN  5.50   (#   1351:10      Single   Ambig  )
 &rst
  ixpk= 1351, nxpk= 10, iat=  -1,1371, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1315,1316,1585,
 &end
#
#  87 ILE        HG1+   88 GLU          HN  5.50   (#   1352:10      Unique   3.07, 4.47 A)
 &rst
  ixpk= 1352, nxpk= 10, iat=  -1,1371, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1362,1363,
 &end
#
#  81 THR         MG2   88 GLU          HN  5.50   (#   1353:10  Preassigned   5.53, 6.61 A)
 &rst
  ixpk= 1353, nxpk= 10, iat=  -1,1371, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1249,1250,1251,
 &end
#
#   0 AMB   10-2:1354   88 GLU          HN  4.00   (#   1354:10      Single   Ambig  )
 &rst
  ixpk= 1354, nxpk= 10, iat=  -1,1371, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1358,1359,1360,1365,1366,1367,
 &end
#
#  87 ILE        HG1-   88 GLU          HN  5.50   (#   1355:10  Preassigned   3.07, 4.47 A)
 &rst
  ixpk= 1355, nxpk= 10, iat=  -1,1371, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1362,1363,
 &end
#
#  99 GLY          HN  101 VAL          HN  5.50   (#   1356:10  Preassigned   2.75, 3.62 A)
 &rst
  ixpk= 1356, nxpk= 10, iat=1552,1581, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 100 LYS          HN  101 VAL          HN  4.00   (#   1357:10  Preassigned   1.91, 2.37 A)
 &rst
  ixpk= 1357, nxpk= 10, iat=1559,1581, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 101 VAL          HA  101 VAL          HN  4.00   (#   1358:10  Preassigned   2.89, 2.94 A)
 &rst
  ixpk= 1358, nxpk= 10, iat=1583,1581, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 100 LYS          HA  101 VAL          HN  4.00   (#   1359:10  Preassigned   3.04, 3.36 A)
 &rst
  ixpk= 1359, nxpk= 10, iat=1561,1581, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  98 ARG          HA  101 VAL          HN  5.50   (#   1360:10  Preassigned   2.91, 3.28 A)
 &rst
  ixpk= 1360, nxpk= 10, iat=1530,1581, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  99 GLY         HA-  101 VAL          HN  5.50   (#   1361:10  Preassigned   3.71, 4.32 A)
 &rst
  ixpk= 1361, nxpk= 10, iat=  -1,1581, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1554,1555,
 &end
#
# 100 LYS         HB+  101 VAL          HN  5.50   (#   1362:10  Preassigned   2.72, 3.84 A)
 &rst
  ixpk= 1362, nxpk= 10, iat=  -1,1581, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1563,1564,
 &end
#
# 101 VAL          HB  101 VAL          HN  2.80   (#   1364:10  Preassigned   2.25, 2.42 A)
 &rst
  ixpk= 1364, nxpk= 10, iat=1585,1581, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
# 100 LYS         HB-  101 VAL          HN  5.50   (#   1365:10      Unique   2.72, 3.84 A)
 &rst
  ixpk= 1365, nxpk= 10, iat=  -1,1581, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1563,1564,
 &end
#
# 100 LYS         HD-  101 VAL          HN  5.50   (#   1366:10  Preassigned   4.72, 5.79 A)
 &rst
  ixpk= 1366, nxpk= 10, iat=  -1,1581, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1569,1570,
 &end
#
# 100 LYS         HD+  101 VAL          HN  5.50   (#   1367:10  Preassigned   4.72, 5.79 A)
 &rst
  ixpk= 1367, nxpk= 10, iat=  -1,1581, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1569,1570,
 &end
#
# 102 MET          HN  101 VAL          HN  5.50   (#   1368:10  Preassigned   4.17, 4.46 A)
 &rst
  ixpk= 1368, nxpk= 10, iat=1597,1581, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  79 ILE          HN  101 VAL          HN  5.50   (#   1369:10  Preassigned   4.55, 4.83 A)
 &rst
  ixpk= 1369, nxpk= 10, iat=1205,1581, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  99 GLY         HA+  101 VAL          HN  5.50   (#   1370:10  Preassigned   3.71, 4.32 A)
 &rst
  ixpk= 1370, nxpk= 10, iat=  -1,1581, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1554,1555,
 &end
#
#  79 ILE         QG2  101 VAL          HN  6.00   (#   1371:10  Preassigned   5.71, 6.67 A)
 &rst
  ixpk= 1371, nxpk= 10, iat=  -1,1581, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=1211,1212,1213,
 &end
#
#  78 LEU         MDY  101 VAL          HN  6.00   (#   1372:10  Preassigned   4.77, 7.57 A)
 &rst
  ixpk= 1372, nxpk= 10, iat=  -1,1581, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1195,1196,1197,1199,1200,1201,
 &end
#
# 121 ARG          HN  122 GLU          HN  4.00   (#   1375:10  Preassigned   2.69, 2.87 A)
 &rst
  ixpk= 1375, nxpk= 10, iat=1905,1929, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 121 ARG          HA  122 GLU          HN  5.50   (#   1377:10  Preassigned   3.44, 3.57 A)
 &rst
  ixpk= 1377, nxpk= 10, iat=1907,1929, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 121 ARG         HD+  122 GLU          HN  5.50   (#   1378:10  Preassigned   2.48, 5.44 A)
 &rst
  ixpk= 1378, nxpk= 10, iat=  -1,1929, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1915,1916,
 &end
#
# 122 GLU         HG+  122 GLU          HN  5.50   (#   1379:10  Preassigned   2.11, 3.79 A)
 &rst
  ixpk= 1379, nxpk= 10, iat=  -1,1929, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1936,1937,
 &end
#
# 122 GLU         HG-  122 GLU          HN  5.50   (#   1380:10  Preassigned   2.11, 3.79 A)
 &rst
  ixpk= 1380, nxpk= 10, iat=  -1,1929, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1936,1937,
 &end
#
# 122 GLU         HB-  122 GLU          HN  4.00   (#   1381:10  Preassigned   2.18, 2.79 A)
 &rst
  ixpk= 1381, nxpk= 10, iat=  -1,1929, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1933,1934,
 &end
#
# 122 GLU         HB+  122 GLU          HN  4.00   (#   1382:10  Preassigned   2.18, 2.79 A)
 &rst
  ixpk= 1382, nxpk= 10, iat=  -1,1929, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1933,1934,
 &end
#
# 121 ARG         HB-  122 GLU          HN  5.50   (#   1383:10  Preassigned   2.81, 3.55 A)
 &rst
  ixpk= 1383, nxpk= 10, iat=  -1,1929, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1909,1910,
 &end
#
# 121 ARG         HB+  122 GLU          HN  4.00   (#   1384:10  Preassigned   2.81, 3.55 A)
 &rst
  ixpk= 1384, nxpk= 10, iat=  -1,1929, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1909,1910,
 &end
#
#   0 AMB   10-2:1385  122 GLU          HN  5.50   (#   1385:10      Single   Ambig  )
 &rst
  ixpk= 1385, nxpk= 10, iat=  -1,1929, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1982,1983,1984,1992,1993,1994,
 &end
#
#  22 LEU          HN   20 GLU          HN  6.00   (#   1386:10  Preassigned   4.20, 4.29 A)
 &rst
  ixpk= 1386, nxpk= 10, iat= 329, 290, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  88 GLU          HN   89 ARG          HN  4.00   (#   1387:10  Preassigned   2.83, 2.91 A)
 &rst
  ixpk= 1387, nxpk= 10, iat=1371,1386, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  89 ARG          HA   89 ARG          HN  4.00   (#   1388:10  Preassigned   2.85, 2.88 A)
 &rst
  ixpk= 1388, nxpk= 10, iat=1388,1386, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  88 GLU         HG+   89 ARG          HN  5.50   (#   1389:10  Preassigned   3.55, 4.54 A)
 &rst
  ixpk= 1389, nxpk= 10, iat=  -1,1386, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1378,1379,
 &end
#
#   0 AMB   10-2:1390   89 ARG          HN  4.00   (#   1390:10      Single   Ambig  )
 &rst
  ixpk= 1390, nxpk= 10, iat=  -1,1386, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1375,1376,1375,1376,
 &end
#
#  89 ARG         HB+   89 ARG          HN  2.80   (#   1391:10  Preassigned   2.19, 2.95 A)
 &rst
  ixpk= 1391, nxpk= 10, iat=  -1,1386, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1390,1391,
 &end
#
#  37 LEU         MDX   89 ARG          HN  5.50   (#   1392:10  Preassigned   3.94, 5.78 A)
 &rst
  ixpk= 1392, nxpk= 10, iat=  -1,1386, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 584, 585, 586, 588, 589, 590,
 &end
#
#   0 AMB   10-2:1393   89 ARG          HN  5.50   (#   1393:10      Single   Ambig  )
 &rst
  ixpk= 1393, nxpk= 10, iat=  -1,1386, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1373,1412,
 &end
#
#   0 AMB   10-2:1394   78 LEU          HN  5.50   (#   1394:10      Single   Ambig  )
 &rst
  ixpk= 1394, nxpk= 10, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1205,  41,
 &end
#
#   5 ILE         QD1   78 LEU          HN  6.00   (#   1395:10  Preassigned   3.92, 6.13 A)
 &rst
  ixpk= 1395, nxpk= 10, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=  82,  83,  84,
 &end
#
#   0 AMB   10-2:1396   78 LEU          HN  5.50   (#   1396:10      Single   Ambig  )
 &rst
  ixpk= 1396, nxpk= 10, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=  75,  76,  77,1195,1196,1197,1199,1200,1201,
 &end
#
#  77 ASP          HN   78 LEU          HN  2.80   (#   1397:10  Preassigned   1.89, 2.13 A)
 &rst
  ixpk= 1397, nxpk= 10, iat=1174,1186, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  76 TYR          HD   78 LEU          HN  5.50   (#   1398:10  Preassigned   4.40, 5.72 A)
 &rst
  ixpk= 1398, nxpk= 10, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1161,1170,
 &end
#
#   5 ILE          HA   78 LEU          HN  4.00   (#   1399:10  Preassigned   2.65, 2.90 A)
 &rst
  ixpk= 1399, nxpk= 10, iat=  71,1186, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB   10-2:1400   78 LEU          HN  4.00   (#   1400:10      Single   Ambig  )
 &rst
  ixpk= 1400, nxpk= 10, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1176,  23,
 &end
#
#  78 LEU          HA   78 LEU          HN  4.00   (#   1401:10  Preassigned   2.89, 2.92 A)
 &rst
  ixpk= 1401, nxpk= 10, iat=1188,1186, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  76 TYR          HA   78 LEU          HN  5.50   (#   1402:10  Preassigned   4.07, 4.35 A)
 &rst
  ixpk= 1402, nxpk= 10, iat=1155,1186, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  77 ASP         HB+   78 LEU          HN  5.50   (#   1403:10  Preassigned   3.07, 3.87 A)
 &rst
  ixpk= 1403, nxpk= 10, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1178,1179,
 &end
#
#  77 ASP         HB+   78 LEU          HN  5.50   (#   1404:10  Preassigned   3.07, 3.87 A)
 &rst
  ixpk= 1404, nxpk= 10, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1178,1179,
 &end
#
#   0 AMB   10-2:1405   78 LEU          HN  4.00   (#   1405:10      Single   Ambig  )
 &rst
  ixpk= 1405, nxpk= 10, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1157,1158,  25,  26,
 &end
#
#  77 ASP         HB-   78 LEU          HN  4.00   (#   1406:10  Preassigned   3.07, 3.87 A)
 &rst
  ixpk= 1406, nxpk= 10, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1178,1179,
 &end
#
#  76 TYR         HB+   78 LEU          HN  5.50   (#   1407:10  Preassigned   2.71, 3.58 A)
 &rst
  ixpk= 1407, nxpk= 10, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1157,1158,
 &end
#
#   0 AMB   10-2:1408    0 AMB   10-1:1408  4.00   (#   1408:10      Double   Ambig  )
 &rst
  ixpk= 1408, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
 igr1= 391, 392,1190,1191,
 igr2= 384,1186,
 &end
#
#  78 LEU         HB-   78 LEU          HN  4.00   (#   1409:10  Preassigned   2.73, 3.11 A)
 &rst
  ixpk= 1409, nxpk= 10, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1190,1191,
 &end
#
#  79 ILE        HG1-   78 LEU          HN  5.50   (#   1410:10      Unique   3.35, 4.67 A)
 &rst
  ixpk= 1410, nxpk= 10, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1215,1216,
 &end
#
#  78 LEU          HG   78 LEU          HN  5.50   (#   1411:10      Unique   4.37, 4.64 A)
 &rst
  ixpk= 1411, nxpk= 10, iat=1193,1186, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  58 LEU         MDY   25 ARG          HN  5.50   (#   1412:10  Preassigned   3.91, 6.15 A)
 &rst
  ixpk= 1412, nxpk= 10, iat=  -1, 384, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
#  23 LEU          HN   25 ARG          HN  6.00   (#   1413:10  Preassigned   4.10, 4.26 A)
 &rst
  ixpk= 1413, nxpk= 10, iat= 348, 384, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  23 LEU          HA   25 ARG          HN  6.00   (#   1414:10  Preassigned   4.34, 4.52 A)
 &rst
  ixpk= 1414, nxpk= 10, iat= 350, 384, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  25 ARG          HA   25 ARG          HN  2.80   (#   1415:10  Preassigned   2.80, 2.82 A)
 &rst
  ixpk= 1415, nxpk= 10, iat= 386, 384, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  22 LEU          HA   25 ARG          HN  5.50   (#   1416:10  Preassigned   3.15, 3.32 A)
 &rst
  ixpk= 1416, nxpk= 10, iat= 331, 384, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  24 GLN         HB+   25 ARG          HN  5.50   (#   1418:10  Preassigned   2.59, 3.27 A)
 &rst
  ixpk= 1418, nxpk= 10, iat=  -1, 384, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 371, 372,
 &end
#
#  24 GLN         HB-   25 ARG          HN  5.50   (#   1419:10  Preassigned   2.59, 3.27 A)
 &rst
  ixpk= 1419, nxpk= 10, iat=  -1, 384, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 371, 372,
 &end
#
#   0 AMB   10-2:1420   25 ARG          HN  4.00   (#   1420:10      Single   Ambig  )
 &rst
  ixpk= 1420, nxpk= 10, iat=  -1, 384, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 388, 389, 388, 389,
 &end
#
#  25 ARG         HG-   25 ARG          HN  5.50   (#   1421:10  Preassigned   2.48, 4.21 A)
 &rst
  ixpk= 1421, nxpk= 10, iat=  -1, 384, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 391, 392,
 &end
#
#  67 GLN         HG+   41 VAL          HN  6.00   (#   1422:10  Preassigned   4.05, 6.73 A)
 &rst
  ixpk= 1422, nxpk= 10, iat=  -1, 630, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 997, 998,
 &end
#
#   0 AMB   10-2:1423   16 SER          HN  5.50   (#   1423:10      Single   Ambig  )
 &rst
  ixpk= 1423, nxpk= 10, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 245, 246, 243,
 &end
#
#  16 SER         HB-   16 SER          HN  5.50   (#   1424:10  Preassigned   2.56, 3.13 A)
 &rst
  ixpk= 1424, nxpk= 10, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 245, 246,
 &end
#
#  17 PRO         HD+   16 SER          HN  5.50   (#   1425:10  Preassigned   2.51, 3.09 A)
 &rst
  ixpk= 1425, nxpk= 10, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 253, 254,
 &end
#
#   0 AMB   10-2:1426   16 SER          HN  5.50   (#   1426:10      Single   Ambig  )
 &rst
  ixpk= 1426, nxpk= 10, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1268,1269,1270, 256, 257,
 &end
#
#   7 VAL         MGX   16 SER          HN  6.00   (#   1427:10  Preassigned   4.01, 6.15 A)
 &rst
  ixpk= 1427, nxpk= 10, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 113, 114, 115, 117, 118, 119,
 &end
#
#  17 PRO         HD-   16 SER          HN  5.50   (#   1430:10      Unique   2.51, 3.09 A)
 &rst
  ixpk= 1430, nxpk= 10, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 253, 254,
 &end
#
#  17 PRO         HG-   16 SER          HN  5.50   (#   1434:10  Preassigned   4.57, 5.09 A)
 &rst
  ixpk= 1434, nxpk= 10, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 256, 257,
 &end
#
#   0 AMB   10-2:1435   45 ALA          HN  7.00   (#   1435:10      Single   Ambig  )
 &rst
  ixpk= 1435, nxpk= 10, iat=  -1, 682, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
       901, 902,
 &end
#
#  45 ALA          HA   45 ALA          HN  5.50   (#   1436:10  Preassigned   2.79, 2.84 A)
 &rst
  ixpk= 1436, nxpk= 10, iat= 684, 682, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  63 HIS         HB-   45 ALA          HN  5.50   (#   1437:10  Preassigned   2.27, 4.17 A)
 &rst
  ixpk= 1437, nxpk= 10, iat=  -1, 682, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 932, 933,
 &end
#
#  45 ALA          MB   45 ALA          HN  4.00   (#   1438:10  Preassigned   2.42, 2.93 A)
 &rst
  ixpk= 1438, nxpk= 10, iat=  -1, 682, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 686, 687, 688,
 &end
#
#  70 ARG          HN   71 ARG          HN  5.50   (#   1439:10  Preassigned   2.70, 2.84 A)
 &rst
  ixpk= 1439, nxpk= 10, iat=1037,1061, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   10-2:1440    0 AMB   10-1:1440  5.50   (#   1440:10      Double   Ambig  )
 &rst
  ixpk= 1440, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1085, 928,
 igr2=1061, 682,
 &end
#
#  69 SER         HB-   71 ARG          HN  4.00   (#   1442:10  Preassigned   2.70, 3.55 A)
 &rst
  ixpk= 1442, nxpk= 10, iat=  -1,1061, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1030,1031,
 &end
#
#  71 ARG          HA   71 ARG          HN  4.00   (#   1443:10  Preassigned   2.81, 2.85 A)
 &rst
  ixpk= 1443, nxpk= 10, iat=1063,1061, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  70 ARG          HA   71 ARG          HN  5.50   (#   1444:10  Preassigned   3.52, 3.58 A)
 &rst
  ixpk= 1444, nxpk= 10, iat=1039,1061, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  71 ARG         HB-   71 ARG          HN  2.80   (#   1445:10  Preassigned   2.42, 2.65 A)
 &rst
  ixpk= 1445, nxpk= 10, iat=  -1,1061, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1065,1066,
 &end
#
#  71 ARG         HB+   71 ARG          HN  4.00   (#   1446:10  Preassigned   2.42, 2.65 A)
 &rst
  ixpk= 1446, nxpk= 10, iat=  -1,1061, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1065,1066,
 &end
#
#  71 ARG         HG+   71 ARG          HN  4.00   (#   1447:10      Unique   2.11, 4.13 A)
 &rst
  ixpk= 1447, nxpk= 10, iat=  -1,1061, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1068,1069,
 &end
#
#  40 LEU          HG   41 VAL          HN  5.50   (#   1448:10  Preassigned   4.98, 5.11 A)
 &rst
  ixpk= 1448, nxpk= 10, iat= 618, 630, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  65 ALA          MB   41 VAL          HN  5.50   (#   1449:10  Preassigned   3.27, 4.32 A)
 &rst
  ixpk= 1449, nxpk= 10, iat=  -1, 630, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 960, 961, 962,
 &end
#
#  44 GLY         HA+   45 ALA          HN  5.50   (#   1463:10  Preassigned   2.39, 2.65 A)
 &rst
  ixpk= 1463, nxpk= 10, iat=  -1, 682, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 677, 678,
 &end
#
#  44 GLY          HN   45 ALA          HN  5.50   (#   1466:10  Preassigned   2.57, 4.26 A)
 &rst
  ixpk= 1466, nxpk= 10, iat= 675, 682, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  63 HIS         HD2   45 ALA          HN  5.50   (#   1467:10  Preassigned   2.79, 3.80 A)
 &rst
  ixpk= 1467, nxpk= 10, iat= 941, 682, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  44 GLY         HA-   45 ALA          HN  4.00   (#   1468:10  Preassigned   2.39, 2.65 A)
 &rst
  ixpk= 1468, nxpk= 10, iat=  -1, 682, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 677, 678,
 &end
#
#  63 HIS         HB+   45 ALA          HN  4.00   (#   1469:10  Preassigned   2.27, 4.17 A)
 &rst
  ixpk= 1469, nxpk= 10, iat=  -1, 682, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 932, 933,
 &end
#
#  50 ILE         QD1   45 ALA          HN  5.50   (#   1472:10      Unique   3.44, 5.03 A)
 &rst
  ixpk= 1472, nxpk= 10, iat=  -1, 682, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 755, 756, 757,
 &end
#
#   0 AMB   10-2:1473   76 TYR          HN  5.50   (#   1473:10      Single   Ambig  )
 &rst
  ixpk= 1473, nxpk= 10, iat=  -1,1153, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  64,  65,1163,1168,
 &end
#
#  39 ALA          HA   41 VAL          HN  6.50   (#   1474:10  Preassigned   4.29, 4.46 A)
 &rst
  ixpk= 1474, nxpk= 10, iat= 603, 630, r1= 0.00, r2= 1.80, r3= 6.50, r4= 7.25,  &end
#
#  42 GLY          HN   41 VAL          HN  5.50   (#   1475:10  Preassigned   4.43, 4.49 A)
 &rst
  ixpk= 1475, nxpk= 10, iat= 646, 630, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  39 ALA          HN   41 VAL          HN  6.00   (#   1476:10  Preassigned   4.75, 5.04 A)
 &rst
  ixpk= 1476, nxpk= 10, iat= 601, 630, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  40 LEU          HN   41 VAL          HN  5.50   (#   1477:10  Preassigned   2.81, 3.46 A)
 &rst
  ixpk= 1477, nxpk= 10, iat= 611, 630, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  40 LEU          HA   41 VAL          HN  2.80   (#   1478:10  Preassigned   2.37, 2.56 A)
 &rst
  ixpk= 1478, nxpk= 10, iat= 613, 630, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  41 VAL          HA   41 VAL          HN  5.50   (#   1479:10  Preassigned   2.57, 2.65 A)
 &rst
  ixpk= 1479, nxpk= 10, iat= 632, 630, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  41 VAL          HB   41 VAL          HN  4.00   (#   1480:10  Preassigned   2.35, 2.65 A)
 &rst
  ixpk= 1480, nxpk= 10, iat= 634, 630, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  40 LEU         HB+   41 VAL          HN  5.50   (#   1481:10  Preassigned   4.29, 4.42 A)
 &rst
  ixpk= 1481, nxpk= 10, iat=  -1, 630, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 615, 616,
 &end
#
#  40 LEU         HB-   41 VAL          HN  5.50   (#   1482:10  Preassigned   4.29, 4.42 A)
 &rst
  ixpk= 1482, nxpk= 10, iat=  -1, 630, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 615, 616,
 &end
#
#  41 VAL         MGY   41 VAL          HN  2.80   (#   1483:10  Preassigned   1.86, 3.68 A)
 &rst
  ixpk= 1483, nxpk= 10, iat=  -1, 630, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 636, 637, 638, 640, 641, 642,
 &end
#
#   0 AMB   10-2:1484   41 VAL          HN  5.50   (#   1484:10      Single   Ambig  )
 &rst
  ixpk= 1484, nxpk= 10, iat=  -1, 630, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 620, 621, 622, 624, 625, 626, 620, 621, 622, 624,
       625, 626,
 &end
#
#   0 AMB   10-2:1489   76 TYR          HN  7.00   (#   1489:10      Single   Ambig  )
 &rst
  ixpk= 1489, nxpk= 10, iat=  -1,1153, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
 igr1=1218,1219,1220,1094,1095,1096,1098,1099,1100,
 &end
#
#  77 ASP          HN   76 TYR          HN  5.50   (#   1490:10  Preassigned   4.54, 4.62 A)
 &rst
  ixpk= 1490, nxpk= 10, iat=1174,1153, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  75 ASN          HN   76 TYR          HN  2.80   (#   1491:10  Preassigned   2.55, 2.68 A)
 &rst
  ixpk= 1491, nxpk= 10, iat=1139,1153, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  76 TYR          HD   76 TYR          HN  2.80   (#   1492:10  Preassigned   2.35, 3.67 A)
 &rst
  ixpk= 1492, nxpk= 10, iat=  -1,1153, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1161,1170,
 &end
#
#   0 AMB   10-2:1493   76 TYR          HN  4.00   (#   1493:10      Single   Ambig  )
 &rst
  ixpk= 1493, nxpk= 10, iat=  -1,1153, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1155,1141,
 &end
#
#  74 ARG          HA   76 TYR          HN  5.50   (#   1494:10  Preassigned   4.15, 4.46 A)
 &rst
  ixpk= 1494, nxpk= 10, iat=1117,1153, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  73 CYS          HA   76 TYR          HN  5.50   (#   1495:10  Preassigned   3.58, 3.76 A)
 &rst
  ixpk= 1495, nxpk= 10, iat=1106,1153, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  76 TYR         HB-   76 TYR          HN  4.00   (#   1496:10  Preassigned   2.37, 3.11 A)
 &rst
  ixpk= 1496, nxpk= 10, iat=  -1,1153, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1157,1158,
 &end
#
#   4 ASN         HB-   76 TYR          HN  6.00   (#   1497:10  Preassigned   4.74, 5.88 A)
 &rst
  ixpk= 1497, nxpk= 10, iat=  -1,1153, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=  59,  60,
 &end
#
#   0 AMB   10-2:1498   76 TYR          HN  4.00   (#   1498:10      Single   Ambig  )
 &rst
  ixpk= 1498, nxpk= 10, iat=  -1,1153, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1143,1144,1143,1144,
 &end
#
#  76 TYR         HB+   76 TYR          HN  4.00   (#   1499:10  Preassigned   2.37, 3.11 A)
 &rst
  ixpk= 1499, nxpk= 10, iat=  -1,1153, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1157,1158,
 &end
#
#  97 MET          ME   76 TYR          HN  5.50   (#   1500:10  Preassigned   4.16, 5.58 A)
 &rst
  ixpk= 1500, nxpk= 10, iat=  -1,1153, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1522,1523,1524,
 &end
#
#   6 LEU         MDX   76 TYR          HN  6.00   (#   1501:10  Preassigned   4.01, 6.16 A)
 &rst
  ixpk= 1501, nxpk= 10, iat=  -1,1153, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=  97,  98,  99, 101, 102, 103,
 &end
#
#  25 ARG          HN   24 GLN          HN  4.00   (#   1502:10  Preassigned   2.79, 2.82 A)
 &rst
  ixpk= 1502, nxpk= 10, iat= 384, 367, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB   10-2:1503   24 GLN          HN  4.00   (#   1503:10      Single   Ambig  )
 &rst
  ixpk= 1503, nxpk= 10, iat=  -1, 367, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 369, 307,
 &end
#
#   0 AMB   10-2:1504   24 GLN          HN  4.00   (#   1504:10      Single   Ambig  )
 &rst
  ixpk= 1504, nxpk= 10, iat=  -1, 367, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 374, 375, 374, 375,
 &end
#
#  24 GLN         HB+   24 GLN          HN  4.00   (#   1505:10  Preassigned   2.08, 2.62 A)
 &rst
  ixpk= 1505, nxpk= 10, iat=  -1, 367, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 371, 372,
 &end
#
#  24 GLN         HB-   24 GLN          HN  4.00   (#   1506:10  Preassigned   2.08, 2.62 A)
 &rst
  ixpk= 1506, nxpk= 10, iat=  -1, 367, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 371, 372,
 &end
#
#  23 LEU         HB+   24 GLN          HN  4.00   (#   1507:10      Unique   2.53, 3.11 A)
 &rst
  ixpk= 1507, nxpk= 10, iat=  -1, 367, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 352, 353,
 &end
#
#  23 LEU         HB-   24 GLN          HN  4.00   (#   1508:10  Preassigned   2.53, 3.11 A)
 &rst
  ixpk= 1508, nxpk= 10, iat=  -1, 367, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 352, 353,
 &end
#
#  32 VAL          HB   24 GLN          HN  5.50   (#   1510:10  Preassigned   3.23, 4.07 A)
 &rst
  ixpk= 1510, nxpk= 10, iat= 520, 367, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  32 VAL         MGX   24 GLN          HN  5.50   (#   1511:10  Preassigned   2.62, 4.38 A)
 &rst
  ixpk= 1511, nxpk= 10, iat=  -1, 367, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 522, 523, 524, 526, 527, 528,
 &end
#
#  32 VAL         MGY   24 GLN          HN  5.50   (#   1512:10  Preassigned   2.62, 4.38 A)
 &rst
  ixpk= 1512, nxpk= 10, iat=  -1, 367, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 522, 523, 524, 526, 527, 528,
 &end
#
#  23 LEU          HN   24 GLN          HN  5.50   (#   1513:10  Preassigned   2.67, 2.79 A)
 &rst
  ixpk= 1513, nxpk= 10, iat= 348, 367, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 133 ARG         HG+  134 SER          HN  5.50   (#   1514:10  Preassigned   2.28, 4.05 A)
 &rst
  ixpk= 1514, nxpk= 10, iat=  -1,2126, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2109,2110,
 &end
#
#  72 LEU         MDY   69 SER          HN  6.00   (#   1515:10  Preassigned   2.46, 4.47 A)
 &rst
  ixpk= 1515, nxpk= 10, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#   0 AMB   10-2:1516   69 SER          HN  5.50   (#   1516:10      Single   Ambig  )
 &rst
  ixpk= 1516, nxpk= 10, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1085,1104,
 &end
#
#  69 SER         HB-   69 SER          HN  5.50   (#   1518:10  Preassigned   2.79, 3.52 A)
 &rst
  ixpk= 1518, nxpk= 10, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1030,1031,
 &end
#
#   0 AMB   10-2:1519   69 SER          HN  4.00   (#   1519:10      Single   Ambig  )
 &rst
  ixpk= 1519, nxpk= 10, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=1009,1030,1031,
 &end
#
#  72 LEU         HB+   69 SER          HN  4.00   (#   1520:10  Preassigned   1.87, 2.86 A)
 &rst
  ixpk= 1520, nxpk= 10, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1089,1090,
 &end
#
#  72 LEU         HB-   69 SER          HN  4.00   (#   1521:10  Preassigned   1.87, 2.86 A)
 &rst
  ixpk= 1521, nxpk= 10, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1089,1090,
 &end
#
#  68 ILE        HG1-   69 SER          HN  4.00   (#   1522:10  Preassigned   2.18, 2.95 A)
 &rst
  ixpk= 1522, nxpk= 10, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1017,1018,
 &end
#
#  68 ILE        HG1+   69 SER          HN  4.00   (#   1523:10  Preassigned   2.18, 2.95 A)
 &rst
  ixpk= 1523, nxpk= 10, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1017,1018,
 &end
#
#  72 LEU         MDX   69 SER          HN  5.50   (#   1524:10  Preassigned   2.46, 4.47 A)
 &rst
  ixpk= 1524, nxpk= 10, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#  68 ILE         QD1   69 SER          HN  4.00   (#   1525:10  Preassigned   2.09, 3.87 A)
 &rst
  ixpk= 1525, nxpk= 10, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=1020,1021,1022,
 &end
#
#  71 ARG         HB-   69 SER          HN  6.00   (#   1526:10  Preassigned   5.14, 6.22 A)
 &rst
  ixpk= 1526, nxpk= 10, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1065,1066,
 &end
#
#   0 AMB   10-2:1527  107 TRP          HN  2.80   (#   1527:10      Single   Ambig  )
 &rst
  ixpk= 1527, nxpk= 10, iat=  -1,1677, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1701,1660,
 &end
#
# 107 TRP         HD1  107 TRP          HN  5.50   (#   1528:10  Preassigned   2.52, 2.98 A)
 &rst
  ixpk= 1528, nxpk= 10, iat=1685,1677, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 108 ASP          HA  107 TRP          HN  5.50   (#   1529:10  Preassigned   4.75, 5.12 A)
 &rst
  ixpk= 1529, nxpk= 10, iat=1703,1677, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 107 TRP          HA  107 TRP          HN  4.00   (#   1531:10  Preassigned   2.82, 2.92 A)
 &rst
  ixpk= 1531, nxpk= 10, iat=1679,1677, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 106 HIS         HB-  107 TRP          HN  5.50   (#   1532:10  Preassigned   2.32, 3.39 A)
 &rst
  ixpk= 1532, nxpk= 10, iat=  -1,1677, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1664,1665,
 &end
#
# 107 TRP         HB+  107 TRP          HN  4.00   (#   1533:10  Preassigned   2.37, 3.10 A)
 &rst
  ixpk= 1533, nxpk= 10, iat=  -1,1677, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1681,1682,
 &end
#
# 108 ASP         HB+  107 TRP          HN  5.50   (#   1534:10  Preassigned   4.01, 4.65 A)
 &rst
  ixpk= 1534, nxpk= 10, iat=  -1,1677, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1705,1706,
 &end
#
# 107 TRP         HB-  107 TRP          HN  4.00   (#   1535:10  Preassigned   2.37, 3.10 A)
 &rst
  ixpk= 1535, nxpk= 10, iat=  -1,1677, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1681,1682,
 &end
#
# 137 GLN         HB-  107 TRP          HN  6.00   (#   1536:10  Preassigned   4.46, 5.28 A)
 &rst
  ixpk= 1536, nxpk= 10, iat=  -1,1677, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=2175,2176,
 &end
#
# 106 HIS         HB+  107 TRP          HN  4.00   (#   1537:10  Preassigned   2.32, 3.39 A)
 &rst
  ixpk= 1537, nxpk= 10, iat=  -1,1677, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1664,1665,
 &end
#
# 137 GLN         HB+  107 TRP          HN  5.50   (#   1538:10  Preassigned   4.46, 5.28 A)
 &rst
  ixpk= 1538, nxpk= 10, iat=  -1,1677, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2175,2176,
 &end
#
# 132 GLU          HN  134 SER          HN  5.50   (#   1539:10  Preassigned   3.95, 4.18 A)
 &rst
  ixpk= 1539, nxpk= 10, iat=2087,2126, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  50 ILE          HN   51 SER          HN  4.00   (#   1540:10  Preassigned   2.83, 2.87 A)
 &rst
  ixpk= 1540, nxpk= 10, iat= 742, 761, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  52 VAL          HN   51 SER          HN  4.00   (#   1541:10  Preassigned   2.93, 3.04 A)
 &rst
  ixpk= 1541, nxpk= 10, iat= 772, 761, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB   10-2:1542    0 AMB   10-1:1542  5.50   (#   1542:10      Double   Ambig  )
 &rst
  ixpk= 1542, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 732,1643,1647,
 igr2= 761,2126,
 &end
#
#  51 SER          HA   51 SER          HN  5.50   (#   1543:10  Preassigned   2.78, 2.79 A)
 &rst
  ixpk= 1543, nxpk= 10, iat= 763, 761, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  51 SER         HB+   51 SER          HN  2.80   (#   1544:10  Preassigned   2.56, 3.10 A)
 &rst
  ixpk= 1544, nxpk= 10, iat=  -1, 761, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 765, 766,
 &end
#
#  51 SER         HB-   51 SER          HN  4.00   (#   1545:10  Preassigned   2.56, 3.10 A)
 &rst
  ixpk= 1545, nxpk= 10, iat=  -1, 761, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 765, 766,
 &end
#
#  48 THR          HA   51 SER          HN  4.00   (#   1546:10      Unique   2.97, 3.23 A)
 &rst
  ixpk= 1546, nxpk= 10, iat= 720, 761, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  50 ILE          HA   51 SER          HN  5.50   (#   1547:10  Preassigned   3.62, 3.64 A)
 &rst
  ixpk= 1547, nxpk= 10, iat= 744, 761, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  50 ILE          HB   51 SER          HN  4.00   (#   1548:10  Preassigned   2.61, 2.72 A)
 &rst
  ixpk= 1548, nxpk= 10, iat= 746, 761, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 130 LEU         MDX  134 SER          HN  5.50   (#   1549:10  Preassigned   3.52, 6.01 A)
 &rst
  ixpk= 1549, nxpk= 10, iat=  -1,2126, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2058,2059,2060,2062,2063,2064,
 &end
#
#   0 AMB   10-2:1550   51 SER          HN  4.00   (#   1550:10      Single   Ambig  )
 &rst
  ixpk= 1550, nxpk= 10, iat=  -1, 761, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1= 748, 749, 750, 778, 779, 780, 782, 783, 784,
 &end
#
#   0 AMB   10-2:1551    0 AMB   10-1:1551  5.50   (#   1551:10      Double   Ambig  )
 &rst
  ixpk= 1551, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1= 755, 756, 757,2072,2073,
 igr2= 761,2126,
 &end
#
#   0 AMB   10-2:1552    0 AMB   10-1:1552  5.50   (#   1552:10      Double   Ambig  )
 &rst
  ixpk= 1552, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 724, 725, 726,2077,2078,2079,2081,2082,2083,
 igr2= 761,2126,
 &end
#
#  60 LEU         MDX   51 SER          HN  5.50   (#   1553:10  Preassigned   5.23, 7.39 A)
 &rst
  ixpk= 1553, nxpk= 10, iat=  -1, 761, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 896, 897, 898, 900, 901, 902,
 &end
#
# 135 ALA          HN  134 SER          HN  4.00   (#   1554:10  Preassigned   2.86, 2.91 A)
 &rst
  ixpk= 1554, nxpk= 10, iat=2137,2126, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 133 ARG          HN  134 SER          HN  4.00   (#   1555:10  Preassigned   2.59, 2.82 A)
 &rst
  ixpk= 1555, nxpk= 10, iat=2102,2126, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 104 PHE          HD  134 SER          HN  5.50   (#   1556:10  Preassigned   4.13, 6.65 A)
 &rst
  ixpk= 1556, nxpk= 10, iat=  -1,2126, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1641,1649,
 &end
#
# 134 SER          HA  134 SER          HN  5.50   (#   1559:10  Preassigned   2.76, 2.79 A)
 &rst
  ixpk= 1559, nxpk= 10, iat=2128,2126, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 134 SER         HB-  134 SER          HN  5.50   (#   1560:10  Preassigned   2.35, 3.04 A)
 &rst
  ixpk= 1560, nxpk= 10, iat=  -1,2126, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2130,2131,
 &end
#
# 134 SER         HB+  134 SER          HN  4.00   (#   1561:10  Preassigned   2.35, 3.04 A)
 &rst
  ixpk= 1561, nxpk= 10, iat=  -1,2126, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2130,2131,
 &end
#
#   0 AMB   10-2:1562  134 SER          HN  4.00   (#   1562:10      Single   Ambig  )
 &rst
  ixpk= 1562, nxpk= 10, iat=  -1,2126, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=2106,2107,2106,2107,
 &end
#
# 133 ARG         HG-  134 SER          HN  4.00   (#   1563:10  Preassigned   2.28, 4.05 A)
 &rst
  ixpk= 1563, nxpk= 10, iat=  -1,2126, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2109,2110,
 &end
#
#  54 ALA          HN   56 HIS          HN  5.50   (#   1564:10  Preassigned   3.97, 4.19 A)
 &rst
  ixpk= 1564, nxpk= 10, iat= 798, 823, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  57 GLN          HN   56 HIS          HN  4.00   (#   1565:10  Preassigned   2.25, 2.63 A)
 &rst
  ixpk= 1565, nxpk= 10, iat= 840, 823, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  56 HIS         HD2   56 HIS          HN  5.50   (#   1566:10  Preassigned   2.64, 3.04 A)
 &rst
  ixpk= 1566, nxpk= 10, iat= 836, 823, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  55 GLU          HA   56 HIS          HN  4.00   (#   1567:10  Preassigned   3.43, 3.54 A)
 &rst
  ixpk= 1567, nxpk= 10, iat= 810, 823, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  56 HIS         HB-   56 HIS          HN  4.00   (#   1568:10  Preassigned   2.29, 3.03 A)
 &rst
  ixpk= 1568, nxpk= 10, iat=  -1, 823, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 827, 828,
 &end
#
#  56 HIS         HB+   56 HIS          HN  4.00   (#   1569:10  Preassigned   2.29, 3.03 A)
 &rst
  ixpk= 1569, nxpk= 10, iat=  -1, 823, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 827, 828,
 &end
#
#  55 GLU         HB+   56 HIS          HN  4.00   (#   1570:10  Preassigned   2.71, 3.44 A)
 &rst
  ixpk= 1570, nxpk= 10, iat=  -1, 823, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 812, 813,
 &end
#
#  55 GLU         HB-   56 HIS          HN  5.50   (#   1571:10  Preassigned   2.71, 3.44 A)
 &rst
  ixpk= 1571, nxpk= 10, iat=  -1, 823, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 812, 813,
 &end
#
#  54 ALA          MB   56 HIS          HN  5.50   (#   1572:10  Preassigned   4.89, 5.48 A)
 &rst
  ixpk= 1572, nxpk= 10, iat=  -1, 823, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 802, 803, 804,
 &end
#
#  56 HIS          HA   56 HIS          HN  4.00   (#   1573:10  Preassigned   2.90, 2.94 A)
 &rst
  ixpk= 1573, nxpk= 10, iat= 825, 823, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  57 GLN          HA   56 HIS          HN  5.50   (#   1574:10  Preassigned   4.20, 4.67 A)
 &rst
  ixpk= 1574, nxpk= 10, iat= 842, 823, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  58 LEU         HB-   56 HIS          HN  7.00   (#   1575:10  Preassigned   4.23, 5.22 A)
 &rst
  ixpk= 1575, nxpk= 10, iat=  -1, 823, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 861, 862,
 &end
#
#  72 LEU         MDY   75 ASN          HN  6.00   (#   1576:10  Preassigned   4.69, 6.82 A)
 &rst
  ixpk= 1576, nxpk= 10, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
# 139 ALA          HN  140 GLN          HN  4.00   (#   1577:10  Preassigned   2.76, 2.80 A)
 &rst
  ixpk= 1577, nxpk= 10, iat=2212,2222, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 142 LEU          HN  140 GLN          HN  5.50   (#   1578:10  Preassigned   3.97, 4.15 A)
 &rst
  ixpk= 1578, nxpk= 10, iat=2249,2222, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 141 ALA          HN  140 GLN          HN  2.80   (#   1579:10  Preassigned   2.50, 2.71 A)
 &rst
  ixpk= 1579, nxpk= 10, iat=2239,2222, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
# 140 GLN          HA  140 GLN          HN  5.50   (#   1580:10  Preassigned   2.84, 2.87 A)
 &rst
  ixpk= 1580, nxpk= 10, iat=2224,2222, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 139 ALA          HA  140 GLN          HN  5.50   (#   1581:10  Preassigned   3.56, 3.61 A)
 &rst
  ixpk= 1581, nxpk= 10, iat=2214,2222, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 137 GLN          HA  140 GLN          HN  4.00   (#   1582:10  Preassigned   2.98, 3.12 A)
 &rst
  ixpk= 1582, nxpk= 10, iat=2173,2222, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 140 GLN         HG-  140 GLN          HN  4.00   (#   1583:10  Preassigned   2.55, 4.07 A)
 &rst
  ixpk= 1583, nxpk= 10, iat=  -1,2222, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2229,2230,
 &end
#
# 140 GLN         HG+  140 GLN          HN  5.50   (#   1584:10  Preassigned   2.55, 4.07 A)
 &rst
  ixpk= 1584, nxpk= 10, iat=  -1,2222, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2229,2230,
 &end
#
# 140 GLN         HB-  140 GLN          HN  2.80   (#   1585:10  Preassigned   2.09, 2.67 A)
 &rst
  ixpk= 1585, nxpk= 10, iat=  -1,2222, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2226,2227,
 &end
#
# 139 ALA          MB  140 GLN          HN  4.00   (#   1586:10  Preassigned   2.75, 3.61 A)
 &rst
  ixpk= 1586, nxpk= 10, iat=  -1,2222, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=2216,2217,2218,
 &end
#
# 141 ALA          MB  140 GLN          HN  5.50   (#   1587:10  Preassigned   4.68, 5.45 A)
 &rst
  ixpk= 1587, nxpk= 10, iat=  -1,2222, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=2243,2244,2245,
 &end
#
# 138 TRP          HN  140 GLN          HN  5.50   (#   1588:10  Preassigned   4.07, 4.14 A)
 &rst
  ixpk= 1588, nxpk= 10, iat=2188,2222, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 138 TRP          HA  140 GLN          HN  5.50   (#   1589:10  Preassigned   3.97, 4.24 A)
 &rst
  ixpk= 1589, nxpk= 10, iat=2190,2222, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 136 ARG          HA  140 GLN          HN  6.00   (#   1590:10  Preassigned   3.92, 4.12 A)
 &rst
  ixpk= 1590, nxpk= 10, iat=2149,2222, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  68 ILE          HN   69 SER          HN  6.00   (#   1591:10  Preassigned   4.60, 4.67 A)
 &rst
  ixpk= 1591, nxpk= 10, iat=1007,1026, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 138 TRP         HE1  107 TRP          HN  6.00   (#   1592:10  Preassigned   3.82, 4.50 A)
 &rst
  ixpk= 1592, nxpk= 10, iat=2198,1677, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 137 GLN         HG+  107 TRP          HN  6.00   (#   1593:10  Preassigned   5.42, 6.79 A)
 &rst
  ixpk= 1593, nxpk= 10, iat=  -1,1677, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=2178,2179,
 &end
#
#  76 TYR          HN   75 ASN          HN  2.80   (#   1594:10  Preassigned   2.55, 2.68 A)
 &rst
  ixpk= 1594, nxpk= 10, iat=1153,1139, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  74 ARG          HN   75 ASN          HN  2.80   (#   1595:10  Preassigned   2.54, 2.65 A)
 &rst
  ixpk= 1595, nxpk= 10, iat=1115,1139, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  76 TYR          HD   75 ASN          HN  4.00   (#   1596:10  Preassigned   3.99, 5.64 A)
 &rst
  ixpk= 1596, nxpk= 10, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1161,1170,
 &end
#
#  76 TYR          HE   75 ASN          HN  5.50   (#   1597:10  Preassigned   4.90, 6.61 A)
 &rst
  ixpk= 1597, nxpk= 10, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1163,1168,
 &end
#
#  75 ASN          HA   75 ASN          HN  2.80   (#   1598:10  Preassigned   2.83, 2.86 A)
 &rst
  ixpk= 1598, nxpk= 10, iat=1141,1139, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  74 ARG          HA   75 ASN          HN  5.50   (#   1599:10  Preassigned   3.53, 3.56 A)
 &rst
  ixpk= 1599, nxpk= 10, iat=1117,1139, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   10-2:1600    0 AMB   10-1:1600  5.50   (#   1600:10      Double   Ambig  )
 &rst
  ixpk= 1600, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2173,1106,
 igr2=2222,1139,
 &end
#
#   0 AMB   10-2:1602    0 AMB   10-1:1602  7.00   (#   1602:10      Double   Ambig  )
 &rst
  ixpk= 1602, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1=1157,1158,2272,2273,
 igr2=1139,2222,
 &end
#
#  73 CYS         HB+   75 ASN          HN  5.50   (#   1603:10  Preassigned   4.88, 5.31 A)
 &rst
  ixpk= 1603, nxpk= 10, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1108,1109,
 &end
#
#   0 AMB   10-2:1604   75 ASN          HN  4.00   (#   1604:10      Single   Ambig  )
 &rst
  ixpk= 1604, nxpk= 10, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1143,1144,1143,1144,
 &end
#
#   0 AMB   10-2:1605   75 ASN          HN  4.00   (#   1605:10      Single   Ambig  )
 &rst
  ixpk= 1605, nxpk= 10, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1119,1120,1122,1123,
 &end
#
#  74 ARG         HG+   75 ASN          HN  5.50   (#   1606:10  Preassigned   4.28, 4.97 A)
 &rst
  ixpk= 1606, nxpk= 10, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1122,1123,
 &end
#
#   0 AMB   10-2:1607   75 ASN          HN  7.00   (#   1607:10      Single   Ambig  )
 &rst
  ixpk= 1607, nxpk= 10, iat=  -1,1139, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
 igr1=1094,1095,1096,1098,1099,1100,1218,1219,1220,
 &end
#
#   0 AMB   10-2:1608   70 ARG          HE  5.50   (#   1608:10      Single   Ambig  )
 &rst
  ixpk= 1608, nxpk= 10, iat=  -1,1050, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1041,1042,1041,1042,
 &end
#
#  70 ARG         HG-   70 ARG          HE  5.50   (#   1609:10  Preassigned   2.34, 3.12 A)
 &rst
  ixpk= 1609, nxpk= 10, iat=  -1,1050, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1044,1045,
 &end
#
#  92 GLU          HN   91 CYS          HN  4.00   (#   1610:10  Preassigned   2.65, 2.73 A)
 &rst
  ixpk= 1610, nxpk= 10, iat=1440,1429, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  87 ILE          HA   91 CYS          HN  6.00   (#   1612:10  Preassigned   3.52, 3.83 A)
 &rst
  ixpk= 1612, nxpk= 10, iat=1354,1429, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  91 CYS         HB+   91 CYS          HN  4.00   (#   1613:10  Preassigned   2.48, 2.92 A)
 &rst
  ixpk= 1613, nxpk= 10, iat=  -1,1429, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1433,1434,
 &end
#
#  91 CYS         HB-   91 CYS          HN  5.50   (#   1614:10  Preassigned   2.48, 2.92 A)
 &rst
  ixpk= 1614, nxpk= 10, iat=  -1,1429, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1433,1434,
 &end
#
#  90 LEU         HB-   91 CYS          HN  5.50   (#   1615:10  Preassigned   2.74, 3.30 A)
 &rst
  ixpk= 1615, nxpk= 10, iat=  -1,1429, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1414,1415,
 &end
#
#  93 MET          HN   91 CYS          HN  5.50   (#   1616:10  Preassigned   4.05, 4.14 A)
 &rst
  ixpk= 1616, nxpk= 10, iat=1455,1429, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   10-2:1619   91 CYS          HN  7.00   (#   1619:10      Single   Ambig  )
 &rst
  ixpk= 1619, nxpk= 10, iat=  -1,1429, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1462,1463,1378,1379,
 &end
#
#  90 LEU         HB+   91 CYS          HN  4.00   (#   1620:10  Preassigned   2.74, 3.30 A)
 &rst
  ixpk= 1620, nxpk= 10, iat=  -1,1429, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1414,1415,
 &end
#
#  98 ARG         HB-   91 CYS          HN  6.00   (#   1621:10  Preassigned   4.30, 5.55 A)
 &rst
  ixpk= 1621, nxpk= 10, iat=  -1,1429, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1532,1533,
 &end
#
#  90 LEU          HG   91 CYS          HN  6.00   (#   1622:10  Preassigned   3.76, 4.97 A)
 &rst
  ixpk= 1622, nxpk= 10, iat=1417,1429, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 131 LEU          HN  129 THR          HN  6.00   (#   1627:10  Preassigned   4.28, 4.52 A)
 &rst
  ixpk= 1627, nxpk= 10, iat=2068,2035, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 129 THR          HB  129 THR          HN  4.00   (#   1629:10  Preassigned   2.55, 2.58 A)
 &rst
  ixpk= 1629, nxpk= 10, iat=2039,2035, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB   10-2:1630  129 THR          HN  5.50   (#   1630:10      Single   Ambig  )
 &rst
  ixpk= 1630, nxpk= 10, iat=  -1,2035, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1990,1980,
 &end
#
# 128 TYR         HB+  129 THR          HN  4.00   (#   1631:10  Preassigned   2.46, 3.22 A)
 &rst
  ixpk= 1631, nxpk= 10, iat=  -1,2035, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2018,2019,
 &end
#
# 128 TYR         HB-  129 THR          HN  5.50   (#   1632:10  Preassigned   2.46, 3.22 A)
 &rst
  ixpk= 1632, nxpk= 10, iat=  -1,2035, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2018,2019,
 &end
#
#   0 AMB   10-2:1633  129 THR          HN  7.00   (#   1633:10      Single   Ambig  )
 &rst
  ixpk= 1633, nxpk= 10, iat=  -1,2035, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=2087,1978,
 &end
#
# 128 TYR          HD  129 THR          HN  5.50   (#   1634:10  Preassigned   2.89, 4.46 A)
 &rst
  ixpk= 1634, nxpk= 10, iat=  -1,2035, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2022,2031,
 &end
#
#  70 ARG        HH1+   70 ARG          HE  5.50   (#   1635:10  Preassigned   2.16, 3.10 A)
 &rst
  ixpk= 1635, nxpk= 10, iat=  -1,1050, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1053,1054,
 &end
#
#  70 ARG         HD+   70 ARG          HE  5.50   (#   1636:10  Preassigned   2.27, 2.74 A)
 &rst
  ixpk= 1636, nxpk= 10, iat=  -1,1050, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1047,1048,
 &end
#
#  70 ARG         HD-   70 ARG          HE  5.50   (#   1637:10  Preassigned   2.27, 2.74 A)
 &rst
  ixpk= 1637, nxpk= 10, iat=  -1,1050, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1047,1048,
 &end
#
#  70 ARG         HG+   70 ARG          HE  5.50   (#   1639:10  Preassigned   2.34, 3.12 A)
 &rst
  ixpk= 1639, nxpk= 10, iat=  -1,1050, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1044,1045,
 &end
#
# 121 ARG         HD+  121 ARG          HE  4.00   (#   1640:10  Preassigned   2.27, 2.74 A)
 &rst
  ixpk= 1640, nxpk= 10, iat=  -1,1918, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1915,1916,
 &end
#
#  52 VAL         MGY  121 ARG          HE  5.50   (#   1641:10  Preassigned   2.43, 6.10 A)
 &rst
  ixpk= 1641, nxpk= 10, iat=  -1,1918, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 778, 779, 780, 782, 783, 784,
 &end
#
# 121 ARG         HG+  121 ARG          HE  5.50   (#   1642:10  Preassigned   2.25, 3.03 A)
 &rst
  ixpk= 1642, nxpk= 10, iat=  -1,1918, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1912,1913,
 &end
#
# 128 TYR          HN  129 THR          HN  5.50   (#   1648:10  Preassigned   2.85, 2.90 A)
 &rst
  ixpk= 1648, nxpk= 10, iat=2014,2035, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 129 THR          HA  129 THR          HN  4.00   (#   1649:10  Preassigned   2.81, 2.83 A)
 &rst
  ixpk= 1649, nxpk= 10, iat=2037,2035, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 129 THR         MG2  129 THR          HN  5.50   (#   1650:10  Preassigned   4.39, 4.50 A)
 &rst
  ixpk= 1650, nxpk= 10, iat=  -1,2035, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=2041,2042,2043,
 &end
#
# 130 LEU          HN  129 THR          HN  4.00   (#   1651:10  Preassigned   2.72, 2.75 A)
 &rst
  ixpk= 1651, nxpk= 10, iat=2049,2035, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 141 ALA          HN  142 LEU          HN  4.00   (#   1652:10  Preassigned   2.61, 2.73 A)
 &rst
  ixpk= 1652, nxpk= 10, iat=2239,2249, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 142 LEU          HA  142 LEU          HN  5.50   (#   1653:10  Preassigned   2.84, 2.87 A)
 &rst
  ixpk= 1653, nxpk= 10, iat=2251,2249, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 139 ALA          HA  142 LEU          HN  5.50   (#   1654:10  Preassigned   3.09, 3.29 A)
 &rst
  ixpk= 1654, nxpk= 10, iat=2214,2249, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 142 LEU         HB+  142 LEU          HN  2.80   (#   1655:10  Preassigned   2.22, 2.98 A)
 &rst
  ixpk= 1655, nxpk= 10, iat=  -1,2249, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2253,2254,
 &end
#
# 141 ALA          MB  142 LEU          HN  4.00   (#   1656:10  Preassigned   2.50, 3.47 A)
 &rst
  ixpk= 1656, nxpk= 10, iat=  -1,2249, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=2243,2244,2245,
 &end
#
# 142 LEU         MDX  142 LEU          HN  5.50   (#   1657:10  Preassigned   3.61, 4.48 A)
 &rst
  ixpk= 1657, nxpk= 10, iat=  -1,2249, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2258,2259,2260,2262,2263,2264,
 &end
#
# 143 ASN          HN  142 LEU          HN  4.00   (#   1658:10  Preassigned   2.29, 2.71 A)
 &rst
  ixpk= 1658, nxpk= 10, iat=2268,2249, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 107 TRP         HH2  142 LEU          HN  5.50   (#   1659:10      Unique   6.32, 7.11 A)
 &rst
  ixpk= 1659, nxpk= 10, iat=1692,2249, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   10-2:1660  142 LEU          HN  7.00   (#   1660:10      Single   Ambig  )
 &rst
  ixpk= 1660, nxpk= 10, iat=  -1,2249, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 442,1690,
 &end
#
#   0 AMB   10-2:1661  142 LEU          HN  5.50   (#   1661:10      Single   Ambig  )
 &rst
  ixpk= 1661, nxpk= 10, iat=  -1,2249, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2224,2284,
 &end
#
# 142 LEU          HG  142 LEU          HN  4.00   (#   1662:10  Preassigned   2.30, 2.48 A)
 &rst
  ixpk= 1662, nxpk= 10, iat=2256,2249, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  21 ARG         HG+   21 ARG          HE  5.50   (#   1663:10      Unique   2.24, 3.36 A)
 &rst
  ixpk= 1663, nxpk= 10, iat=  -1, 318, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 312, 313,
 &end
#
#  21 ARG         HD-   21 ARG          HE  5.50   (#   1664:10  Preassigned   2.27, 2.63 A)
 &rst
  ixpk= 1664, nxpk= 10, iat=  -1, 318, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 315, 316,
 &end
#
#  21 ARG         HB-   21 ARG          HE  5.50   (#   1665:10  Preassigned   2.65, 3.82 A)
 &rst
  ixpk= 1665, nxpk= 10, iat=  -1, 318, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 309, 310,
 &end
#
#  21 ARG         HB+   21 ARG          HE  5.50   (#   1666:10  Preassigned   2.65, 3.82 A)
 &rst
  ixpk= 1666, nxpk= 10, iat=  -1, 318, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 309, 310,
 &end
#
# 121 ARG         HB+  121 ARG          HE  5.50   (#   1667:10  Preassigned   2.20, 4.00 A)
 &rst
  ixpk= 1667, nxpk= 10, iat=  -1,1918, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1909,1910,
 &end
#
# 121 ARG        HH2+  121 ARG          HE  5.50   (#   1668:10  Preassigned   2.31, 3.68 A)
 &rst
  ixpk= 1668, nxpk= 10, iat=  -1,1918, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1924,1925,
 &end
#
# 121 ARG        HH1+  121 ARG          HE  5.50   (#   1669:10  Preassigned   2.10, 3.01 A)
 &rst
  ixpk= 1669, nxpk= 10, iat=  -1,1918, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1921,1922,
 &end
#
#  27 HIS          HN   26 TYR          HN  4.00   (#   1670:10  Preassigned   2.36, 2.60 A)
 &rst
  ixpk= 1670, nxpk= 10, iat= 429, 408, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  26 TYR          HD   26 TYR          HN  5.50   (#   1671:10  Preassigned   3.04, 3.73 A)
 &rst
  ixpk= 1671, nxpk= 10, iat=  -1, 408, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 416, 425,
 &end
#
#  27 HIS          HA   26 TYR          HN  6.00   (#   1672:10  Preassigned   5.04, 5.27 A)
 &rst
  ixpk= 1672, nxpk= 10, iat= 431, 408, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  26 TYR          HA   26 TYR          HN  5.50   (#   1673:10  Preassigned   2.84, 2.91 A)
 &rst
  ixpk= 1673, nxpk= 10, iat= 410, 408, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  23 LEU          HA   26 TYR          HN  5.50   (#   1674:10  Preassigned   3.34, 3.46 A)
 &rst
  ixpk= 1674, nxpk= 10, iat= 350, 408, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  25 ARG          HA   26 TYR          HN  5.50   (#   1675:10      Unique   3.51, 3.59 A)
 &rst
  ixpk= 1675, nxpk= 10, iat= 386, 408, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   10-2:1677   26 TYR          HN  5.50   (#   1677:10      Single   Ambig  )
 &rst
  ixpk= 1677, nxpk= 10, iat=  -1, 408, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 391, 392,2216,2217,2218,
 &end
#
#  21 ARG          HA   21 ARG          HE  5.50   (#   1679:10  Preassigned   4.49, 4.97 A)
 &rst
  ixpk= 1679, nxpk= 10, iat= 307, 318, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  21 ARG         HD+   21 ARG          HE  5.50   (#   1680:10  Preassigned   2.27, 2.63 A)
 &rst
  ixpk= 1680, nxpk= 10, iat=  -1, 318, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 315, 316,
 &end
#
#   0 AMB   10-2:1681   21 ARG          HE  4.00   (#   1681:10      Single   Ambig  )
 &rst
  ixpk= 1681, nxpk= 10, iat=  -1, 318, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 321, 322, 321, 322,
 &end
#
#  60 LEU          HA   21 ARG          HE  6.00   (#   1683:10  Preassigned   2.33, 2.91 A)
 &rst
  ixpk= 1683, nxpk= 10, iat= 889, 318, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  60 LEU         MDY   21 ARG          HE  6.00   (#   1684:10  Preassigned   2.82, 5.85 A)
 &rst
  ixpk= 1684, nxpk= 10, iat=  -1, 318, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 896, 897, 898, 900, 901, 902,
 &end
#
# 133 ARG        HH1+  133 ARG          HE  5.50   (#   1685:10  Preassigned   2.11, 2.97 A)
 &rst
  ixpk= 1685, nxpk= 10, iat=  -1,2115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2118,2119,
 &end
#
# 133 ARG         HD-  133 ARG          HE  5.50   (#   1687:10  Preassigned   2.25, 2.70 A)
 &rst
  ixpk= 1687, nxpk= 10, iat=  -1,2115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2112,2113,
 &end
#
# 133 ARG         HD+  133 ARG          HE  5.50   (#   1688:10  Preassigned   2.25, 2.70 A)
 &rst
  ixpk= 1688, nxpk= 10, iat=  -1,2115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2112,2113,
 &end
#
#   0 AMB   10-2:1689  133 ARG          HE  5.50   (#   1689:10      Single   Ambig  )
 &rst
  ixpk= 1689, nxpk= 10, iat=  -1,2115, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2106,2107,2106,2107,
 &end
#
# 133 ARG         HG+  133 ARG          HE  5.50   (#   1690:10  Preassigned   2.42, 3.18 A)
 &rst
  ixpk= 1690, nxpk= 10, iat=  -1,2115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2109,2110,
 &end
#
# 133 ARG         HG-  133 ARG          HE  5.50   (#   1691:10  Preassigned   2.42, 3.18 A)
 &rst
  ixpk= 1691, nxpk= 10, iat=  -1,2115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2109,2110,
 &end
#
# 130 LEU         MDY  133 ARG          HE  7.00   (#   1692:10  Preassigned   3.11, 6.47 A)
 &rst
  ixpk= 1692, nxpk= 10, iat=  -1,2115, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=2058,2059,2060,2062,2063,2064,
 &end
#
#  74 ARG         HD+   74 ARG          HE  5.50   (#   1693:10  Preassigned   2.25, 2.73 A)
 &rst
  ixpk= 1693, nxpk= 10, iat=  -1,1128, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1125,1126,
 &end
#
#  25 ARG         HD-   25 ARG          HE  5.50   (#   1695:10  Preassigned   2.28, 2.80 A)
 &rst
  ixpk= 1695, nxpk= 10, iat=  -1, 397, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 394, 395,
 &end
#
#  25 ARG         HD+   25 ARG          HE  5.50   (#   1696:10  Preassigned   2.28, 2.80 A)
 &rst
  ixpk= 1696, nxpk= 10, iat=  -1, 397, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 394, 395,
 &end
#
#  25 ARG         HG-   25 ARG          HE  5.50   (#   1697:10  Preassigned   2.33, 2.82 A)
 &rst
  ixpk= 1697, nxpk= 10, iat=  -1, 397, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 391, 392,
 &end
#
#   0 AMB   10-2:1699   25 ARG          HE  5.50   (#   1699:10      Single   Ambig  )
 &rst
  ixpk= 1699, nxpk= 10, iat=  -1, 397, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 388, 389, 388, 389,
 &end
#
#  25 ARG         HG+   25 ARG          HE  7.00   (#   1700:10  Preassigned   2.33, 2.82 A)
 &rst
  ixpk= 1700, nxpk= 10, iat=  -1, 397, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 391, 392,
 &end
#
#  58 LEU         MDY   25 ARG          HE  6.00   (#   1701:10  Preassigned   2.91, 6.16 A)
 &rst
  ixpk= 1701, nxpk= 10, iat=  -1, 397, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
#  74 ARG         HB+   74 ARG          HE  5.50   (#   1703:10  Preassigned   2.15, 3.99 A)
 &rst
  ixpk= 1703, nxpk= 10, iat=  -1,1128, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1119,1120,
 &end
#
#   0 AMB   10-2:1704   74 ARG          HE  5.50   (#   1704:10      Single   Ambig  )
 &rst
  ixpk= 1704, nxpk= 10, iat=  -1,1128, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1119,1120,1122,1123,
 &end
#
#  74 ARG         HG+   74 ARG          HE  5.50   (#   1705:10  Preassigned   2.39, 3.02 A)
 &rst
  ixpk= 1705, nxpk= 10, iat=  -1,1128, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1122,1123,
 &end
#
#  37 LEU         MDX   38 GLY          HN  5.50   (#   1706:10  Preassigned   3.80, 5.45 A)
 &rst
  ixpk= 1706, nxpk= 10, iat=  -1, 594, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 584, 585, 586, 588, 589, 590,
 &end
#
#  20 GLU          HN   21 ARG          HN  4.00   (#   1707:10  Preassigned   2.75, 2.81 A)
 &rst
  ixpk= 1707, nxpk= 10, iat= 290, 305, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  23 LEU          HN   21 ARG          HN  6.00   (#   1708:10  Preassigned   4.04, 4.27 A)
 &rst
  ixpk= 1708, nxpk= 10, iat= 348, 305, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  22 LEU          HN   21 ARG          HN  4.00   (#   1709:10  Preassigned   2.54, 2.68 A)
 &rst
  ixpk= 1709, nxpk= 10, iat= 329, 305, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  19 ALA          HN   21 ARG          HN  6.00   (#   1710:10  Preassigned   4.26, 4.36 A)
 &rst
  ixpk= 1710, nxpk= 10, iat= 280, 305, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   0 AMB   10-2:1711   21 ARG          HN  7.00   (#   1711:10      Single   Ambig  )
 &rst
  ixpk= 1711, nxpk= 10, iat=  -1, 305, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 324, 325, 324, 325,
 &end
#
#  21 ARG          HA   21 ARG          HN  4.00   (#   1712:10  Preassigned   2.85, 2.88 A)
 &rst
  ixpk= 1712, nxpk= 10, iat= 307, 305, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB   10-2:1713   21 ARG          HN  5.50   (#   1713:10      Single   Ambig  )
 &rst
  ixpk= 1713, nxpk= 10, iat=  -1, 305, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 292, 268,
 &end
#
#  21 ARG         HD+   21 ARG          HN  5.50   (#   1714:10  Preassigned   3.23, 4.18 A)
 &rst
  ixpk= 1714, nxpk= 10, iat=  -1, 305, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 315, 316,
 &end
#
#  20 GLU         HB+   21 ARG          HN  4.00   (#   1715:10  Preassigned   2.59, 3.79 A)
 &rst
  ixpk= 1715, nxpk= 10, iat=  -1, 305, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 294, 295,
 &end
#
#  21 ARG         HG-   21 ARG          HN  2.80   (#   1716:10  Preassigned   2.14, 3.07 A)
 &rst
  ixpk= 1716, nxpk= 10, iat=  -1, 305, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 312, 313,
 &end
#
#  21 ARG         HB+   21 ARG          HN  4.00   (#   1717:10  Preassigned   2.17, 2.98 A)
 &rst
  ixpk= 1717, nxpk= 10, iat=  -1, 305, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 309, 310,
 &end
#
#  60 LEU         MDY   21 ARG          HN  5.50   (#   1718:10  Preassigned   4.18, 6.69 A)
 &rst
  ixpk= 1718, nxpk= 10, iat=  -1, 305, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 896, 897, 898, 900, 901, 902,
 &end
#
#  21 ARG         HD-   21 ARG          HN  5.50   (#   1719:10  Preassigned   3.23, 4.18 A)
 &rst
  ixpk= 1719, nxpk= 10, iat=  -1, 305, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 315, 316,
 &end
#
#  58 LEU         MDY   21 ARG          HN  6.00   (#   1721:10  Preassigned   3.82, 5.78 A)
 &rst
  ixpk= 1721, nxpk= 10, iat=  -1, 305, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
#  37 LEU          HN   38 GLY          HN  4.00   (#   1722:10  Preassigned   1.92, 2.53 A)
 &rst
  ixpk= 1722, nxpk= 10, iat= 575, 594, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  39 ALA          HN   38 GLY          HN  5.50   (#   1724:10  Preassigned   2.72, 2.91 A)
 &rst
  ixpk= 1724, nxpk= 10, iat= 601, 594, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  36 GLY         HA-   38 GLY          HN  5.50   (#   1725:10  Preassigned   3.53, 4.00 A)
 &rst
  ixpk= 1725, nxpk= 10, iat=  -1, 594, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 570, 571,
 &end
#
#  38 GLY         HA-   38 GLY          HN  4.00   (#   1726:10  Preassigned   2.46, 2.76 A)
 &rst
  ixpk= 1726, nxpk= 10, iat=  -1, 594, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 596, 597,
 &end
#
#  37 LEU          HA   38 GLY          HN  5.50   (#   1727:10  Preassigned   3.53, 3.56 A)
 &rst
  ixpk= 1727, nxpk= 10, iat= 577, 594, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  39 ALA          HA   38 GLY          HN  6.00   (#   1728:10  Preassigned   3.60, 3.87 A)
 &rst
  ixpk= 1728, nxpk= 10, iat= 603, 594, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  38 GLY         HA+   38 GLY          HN  4.00   (#   1730:10  Preassigned   2.46, 2.76 A)
 &rst
  ixpk= 1730, nxpk= 10, iat=  -1, 594, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 596, 597,
 &end
#
#  36 GLY         HA+   38 GLY          HN  5.50   (#   1731:10  Preassigned   3.53, 4.00 A)
 &rst
  ixpk= 1731, nxpk= 10, iat=  -1, 594, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 570, 571,
 &end
#
#  37 LEU         HB-   38 GLY          HN  5.50   (#   1733:10  Preassigned   2.40, 3.17 A)
 &rst
  ixpk= 1733, nxpk= 10, iat=  -1, 594, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 579, 580,
 &end
#
#  37 LEU         HB+   38 GLY          HN  4.00   (#   1734:10  Preassigned   2.40, 3.17 A)
 &rst
  ixpk= 1734, nxpk= 10, iat=  -1, 594, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 579, 580,
 &end
#
#  39 ALA          MB   38 GLY          HN  5.50   (#   1735:10  Preassigned   4.23, 5.12 A)
 &rst
  ixpk= 1735, nxpk= 10, iat=  -1, 594, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 605, 606, 607,
 &end
#
#  37 LEU         MDY   38 GLY          HN  5.50   (#   1737:10  Preassigned   3.80, 5.45 A)
 &rst
  ixpk= 1737, nxpk= 10, iat=  -1, 594, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 584, 585, 586, 588, 589, 590,
 &end
#
#   3 ASN          HN    3 ASN        HD2+  5.50   (#   1738:10  Preassigned   4.35, 5.19 A)
 &rst
  ixpk= 1738, nxpk= 10, iat=  41,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  50,  51,
 &end
#
#   0 AMB   10-2:1740    0 AMB   10-1:1740  4.00   (#   1740:10      Double   Ambig  )
 &rst
  ixpk= 1740, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
 igr1=  45,  46,  45,  46,
 igr2=  50,  51,  50,  51,
 &end
#
#  32 VAL          HN    0 AMB   10-1:1741  5.50   (#   1741:10      Single   Ambig  )
 &rst
  ixpk= 1741, nxpk= 10, iat= 516,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 379, 380, 379, 380,
 &end
#
#  28 PRO          HA    0 AMB   10-1:1742  4.00   (#   1742:10      Single   Ambig  )
 &rst
  ixpk= 1742, nxpk= 10, iat= 456,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr2= 379, 380, 379, 380,
 &end
#
#  24 GLN          HA    0 AMB   10-1:1743  4.00   (#   1743:10      Single   Ambig  )
 &rst
  ixpk= 1743, nxpk= 10, iat= 369,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr2= 379, 380, 379, 380,
 &end
#
#  24 GLN         HB-    0 AMB   10-1:1745  5.50   (#   1745:10      Single   Ambig  )
 &rst
  ixpk= 1745, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 371, 372,
 igr2= 379, 380, 379, 380,
 &end
#
#  32 VAL          HB    0 AMB   10-1:1746  5.50   (#   1746:10      Single   Ambig  )
 &rst
  ixpk= 1746, nxpk= 10, iat= 520,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 379, 380, 379, 380,
 &end
#
#  30 LEU         HB-    0 AMB   10-1:1748  5.50   (#   1748:10      Single   Ambig  )
 &rst
  ixpk= 1748, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 479, 480,
 igr2= 379, 380, 379, 380,
 &end
#
#   0 AMB   10-2:1749    0 AMB   10-1:1749  7.00   (#   1749:10      Double   Ambig  )
 &rst
  ixpk= 1749, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
 igr1= 479, 480, 479, 480,
 igr2= 379, 380, 379, 380,
 &end
#
#  32 VAL         MGX    0 AMB   10-1:1750  5.50   (#   1750:10      Single   Ambig  )
 &rst
  ixpk= 1750, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 522, 523, 524, 526, 527, 528,
 igr2= 379, 380, 379, 380,
 &end
#
#  32 VAL         MGY    0 AMB   10-1:1751  5.50   (#   1751:10      Single   Ambig  )
 &rst
  ixpk= 1751, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 522, 523, 524, 526, 527, 528,
 igr2= 379, 380, 379, 380,
 &end
#
#   0 AMB   10-2:1752    3 ASN        HD2-  5.50   (#   1752:10      Single   Ambig  )
 &rst
  ixpk= 1752, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  41,  55,
 igr2=  50,  51,
 &end
#
#   0 AMB   10-2:1754    3 ASN        HD2-  4.00   (#   1754:10      Single   Ambig  )
 &rst
  ixpk= 1754, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
 igr1=  45,  46,  45,  46,
 igr2=  50,  51,
 &end
#
#  34 SER          HN   66 ARG          HE  7.00   (#   1755:10  Preassigned   3.38, 4.44 A)
 &rst
  ixpk= 1755, nxpk= 10, iat= 547, 979, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  35 ALA          HA   66 ARG          HE  5.50   (#   1758:10  Preassigned   2.60, 3.78 A)
 &rst
  ixpk= 1758, nxpk= 10, iat= 560, 979, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  66 ARG         HD+   66 ARG          HE  5.50   (#   1759:10  Preassigned   2.25, 2.76 A)
 &rst
  ixpk= 1759, nxpk= 10, iat=  -1, 979, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 976, 977,
 &end
#
#  66 ARG         HD-   66 ARG          HE  5.50   (#   1760:10  Preassigned   2.25, 2.76 A)
 &rst
  ixpk= 1760, nxpk= 10, iat=  -1, 979, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 976, 977,
 &end
#
#  33 GLU         HG-   66 ARG          HE  6.00   (#   1761:10  Preassigned   4.27, 6.04 A)
 &rst
  ixpk= 1761, nxpk= 10, iat=  -1, 979, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 539, 540,
 &end
#
#  66 ARG         HB+   66 ARG          HE  5.50   (#   1762:10  Preassigned   2.47, 4.07 A)
 &rst
  ixpk= 1762, nxpk= 10, iat=  -1, 979, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 970, 971,
 &end
#
#   0 AMB   10-2:1763   66 ARG          HE  4.00   (#   1763:10      Single   Ambig  )
 &rst
  ixpk= 1763, nxpk= 10, iat=  -1, 979, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 973, 974, 970, 971,
 &end
#
#  66 ARG         HG-   66 ARG          HE  5.50   (#   1764:10  Preassigned   2.25, 2.95 A)
 &rst
  ixpk= 1764, nxpk= 10, iat=  -1, 979, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 973, 974,
 &end
#
#  72 LEU         MDX   66 ARG          HE  7.00   (#   1765:10  Preassigned   4.06, 6.63 A)
 &rst
  ixpk= 1765, nxpk= 10, iat=  -1, 979, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#  72 LEU         MDY   66 ARG          HE  5.50   (#   1766:10  Preassigned   4.06, 6.63 A)
 &rst
  ixpk= 1766, nxpk= 10, iat=  -1, 979, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#   6 LEU         MDY   66 ARG          HE  7.00   (#   1767:10  Preassigned   3.82, 6.82 A)
 &rst
  ixpk= 1767, nxpk= 10, iat=  -1, 979, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=  97,  98,  99, 101, 102, 103,
 &end
#
#  82 MET          HN   81 THR          HN  6.00   (#   1768:10  Preassigned   4.22, 4.30 A)
 &rst
  ixpk= 1768, nxpk= 10, iat=1257,1243, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 104 PHE          HD   81 THR          HN  7.00   (#   1769:10  Preassigned   2.60, 4.88 A)
 &rst
  ixpk= 1769, nxpk= 10, iat=  -1,1243, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1641,1649,
 &end
#
#   0 AMB   10-2:1770   81 THR          HN  2.80   (#   1770:10      Single   Ambig  )
 &rst
  ixpk= 1770, nxpk= 10, iat=  -1,1243, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1226,1245,
 &end
#
# 103 LEU          HA   81 THR          HN  4.00   (#   1771:10  Preassigned   2.31, 2.97 A)
 &rst
  ixpk= 1771, nxpk= 10, iat=1616,1243, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  81 THR          HB   81 THR          HN  5.50   (#   1772:10  Preassigned   3.25, 3.43 A)
 &rst
  ixpk= 1772, nxpk= 10, iat=1247,1243, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 104 PHE         HB+   81 THR          HN  6.00   (#   1774:10  Preassigned   3.15, 5.07 A)
 &rst
  ixpk= 1774, nxpk= 10, iat=  -1,1243, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1637,1638,
 &end
#
# 103 LEU         HB-   81 THR          HN  5.50   (#   1775:10  Preassigned   3.69, 5.54 A)
 &rst
  ixpk= 1775, nxpk= 10, iat=  -1,1243, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1618,1619,
 &end
#
#  80 LEU         HB+   81 THR          HN  5.50   (#   1776:10  Preassigned   2.47, 3.29 A)
 &rst
  ixpk= 1776, nxpk= 10, iat=  -1,1243, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1228,1229,
 &end
#
#  81 THR         MG2   81 THR          HN  5.50   (#   1777:10  Preassigned   2.52, 3.56 A)
 &rst
  ixpk= 1777, nxpk= 10, iat=  -1,1243, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1249,1250,1251,
 &end
#
# 103 LEU         MDX   81 THR          HN  5.50   (#   1779:10  Preassigned   3.93, 6.49 A)
 &rst
  ixpk= 1779, nxpk= 10, iat=  -1,1243, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
#  80 LEU         MDY   81 THR          HN  5.50   (#   1780:10  Preassigned   3.80, 5.32 A)
 &rst
  ixpk= 1780, nxpk= 10, iat=  -1,1243, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1233,1234,1235,1237,1238,1239,
 &end
#
# 104 PHE          HN   81 THR          HN  5.50   (#   1781:10  Preassigned   2.86, 3.13 A)
 &rst
  ixpk= 1781, nxpk= 10, iat=1633,1243, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 104 PHE         HB-   81 THR          HN  6.00   (#   1782:10      Unique   3.15, 5.07 A)
 &rst
  ixpk= 1782, nxpk= 10, iat=  -1,1243, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1637,1638,
 &end
#
#   0 AMB   10-2:1783   81 THR          HN  7.00   (#   1783:10      Single   Ambig  )
 &rst
  ixpk= 1783, nxpk= 10, iat=  -1,1243, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1601,1602,1604,1605,
 &end
#
#   8 VAL          HB   81 THR          HN  6.00   (#   1784:10      Unique   5.76, 6.15 A)
 &rst
  ixpk= 1784, nxpk= 10, iat= 127,1243, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 103 LEU         MDY   81 THR          HN  5.50   (#   1785:10  Preassigned   3.93, 6.49 A)
 &rst
  ixpk= 1785, nxpk= 10, iat=  -1,1243, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
#  76 TYR          HA    4 ASN        HD2-  5.50   (#   1788:10  Preassigned   2.21, 3.79 A)
 &rst
  ixpk= 1788, nxpk= 10, iat=1155,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  64,  65,
 &end
#
#   4 ASN         HB-    4 ASN        HD2-  5.50   (#   1789:10  Preassigned   2.31, 3.26 A)
 &rst
  ixpk= 1789, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  59,  60,
 igr2=  64,  65,
 &end
#
#   0 AMB   10-2:1790    4 ASN        HD2-  5.50   (#   1790:10      Single   Ambig  )
 &rst
  ixpk= 1790, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=  45,  46,  45,  46,
 igr2=  64,  65,
 &end
#
#   4 ASN         HB+    4 ASN        HD2-  5.50   (#   1791:10  Preassigned   2.31, 3.26 A)
 &rst
  ixpk= 1791, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  59,  60,
 igr2=  64,  65,
 &end
#
# 104 PHE          HA   81 THR          HN  6.00   (#   1792:10  Preassigned   3.62, 4.62 A)
 &rst
  ixpk= 1792, nxpk= 10, iat=1635,1243, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  65 ALA          HN   42 GLY          HN  5.50   (#   1793:10  Preassigned   2.94, 3.47 A)
 &rst
  ixpk= 1793, nxpk= 10, iat= 956, 646, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  43 LYS          HN   42 GLY          HN  5.50   (#   1794:10  Preassigned   2.42, 2.76 A)
 &rst
  ixpk= 1794, nxpk= 10, iat= 653, 646, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  41 VAL          HN   42 GLY          HN  5.50   (#   1795:10  Preassigned   4.43, 4.49 A)
 &rst
  ixpk= 1795, nxpk= 10, iat= 630, 646, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  66 ARG          HA   42 GLY          HN  5.500   (#   1796:10      Unique   3.57, 4.28 A)
 &rst
  ixpk= 1796, nxpk= 10, iat= 968, 646, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  42 GLY         HA+   42 GLY          HN  4.00   (#   1799:10  Preassigned   2.28, 2.67 A)
 &rst
  ixpk= 1799, nxpk= 10, iat=  -1, 646, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 648, 649,
 &end
#
#  41 VAL          HB   42 GLY          HN  5.50   (#   1801:10  Preassigned   4.10, 4.26 A)
 &rst
  ixpk= 1801, nxpk= 10, iat= 634, 646, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  65 ALA          MB   42 GLY          HN  4.00   (#   1802:10  Preassigned   2.16, 3.49 A)
 &rst
  ixpk= 1802, nxpk= 10, iat=  -1, 646, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 960, 961, 962,
 &end
#
#  41 VAL         MGX   42 GLY          HN  4.00   (#   1803:10  Preassigned   2.83, 4.42 A)
 &rst
  ixpk= 1803, nxpk= 10, iat=  -1, 646, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 636, 637, 638, 640, 641, 642,
 &end
#
#  42 GLY         HA-   42 GLY          HN  4.00   (#   1804:10  Preassigned   2.28, 2.67 A)
 &rst
  ixpk= 1804, nxpk= 10, iat=  -1, 646, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 648, 649,
 &end
#
#  41 VAL          HA   42 GLY          HN  4.00   (#   1805:10  Preassigned   2.11, 2.13 A)
 &rst
  ixpk= 1805, nxpk= 10, iat= 632, 646, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   4 ASN          HN    4 ASN        HD2+  5.50   (#   1807:10  Preassigned   2.65, 4.83 A)
 &rst
  ixpk= 1807, nxpk= 10, iat=  55,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  64,  65,
 &end
#
#  76 TYR          HA    4 ASN        HD2+  5.50   (#   1808:10  Preassigned   2.21, 3.79 A)
 &rst
  ixpk= 1808, nxpk= 10, iat=1155,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  64,  65,
 &end
#
#   4 ASN         HB-    4 ASN        HD2+  5.50   (#   1809:10  Preassigned   2.31, 3.26 A)
 &rst
  ixpk= 1809, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  59,  60,
 igr2=  64,  65,
 &end
#
#   4 ASN          HN    4 ASN        HD2-  5.50   (#   1810:10  Preassigned   2.65, 4.83 A)
 &rst
  ixpk= 1810, nxpk= 10, iat=  55,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  64,  65,
 &end
#
#  98 ARG         HD+   98 ARG          HE  5.50   (#   1811:10  Preassigned   2.28, 2.76 A)
 &rst
  ixpk= 1811, nxpk= 10, iat=  -1,1541, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1538,1539,
 &end
#
#  98 ARG         HD-   98 ARG          HE  5.50   (#   1812:10  Preassigned   2.28, 2.76 A)
 &rst
  ixpk= 1812, nxpk= 10, iat=  -1,1541, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1538,1539,
 &end
#
#  95 PRO         HB+   98 ARG          HE  5.50   (#   1813:10  Preassigned   2.90, 5.62 A)
 &rst
  ixpk= 1813, nxpk= 10, iat=  -1,1541, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1489,1490,
 &end
#
#   0 AMB   10-2:1814   98 ARG          HE  5.50   (#   1814:10      Single   Ambig  )
 &rst
  ixpk= 1814, nxpk= 10, iat=  -1,1541, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1532,1533,1535,1536,
 &end
#
#  54 ALA          HN   57 GLN          HN  5.50   (#   1816:10  Preassigned   4.84, 5.13 A)
 &rst
  ixpk= 1816, nxpk= 10, iat= 798, 840, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  56 HIS          HN   57 GLN          HN  2.80   (#   1817:10  Preassigned   2.25, 2.63 A)
 &rst
  ixpk= 1817, nxpk= 10, iat= 823, 840, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  57 GLN        HE2-   57 GLN          HN  7.00   (#   1818:10  Preassigned   2.33, 3.42 A)
 &rst
  ixpk= 1818, nxpk= 10, iat=  -1, 840, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 852, 853,
 &end
#
#  56 HIS          HA   57 GLN          HN  4.00   (#   1820:10  Preassigned   3.00, 3.15 A)
 &rst
  ixpk= 1820, nxpk= 10, iat= 825, 840, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  54 ALA          HA   57 GLN          HN  4.00   (#   1821:10  Preassigned   2.91, 3.30 A)
 &rst
  ixpk= 1821, nxpk= 10, iat= 800, 840, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  56 HIS         HB-   57 GLN          HN  5.50   (#   1822:10  Preassigned   3.74, 4.17 A)
 &rst
  ixpk= 1822, nxpk= 10, iat=  -1, 840, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 827, 828,
 &end
#
#   0 AMB   10-2:1823   57 GLN          HN  4.00   (#   1823:10      Single   Ambig  )
 &rst
  ixpk= 1823, nxpk= 10, iat=  -1, 840, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 847, 848, 844, 845,
 &end
#
#   0 AMB   10-2:1824   57 GLN          HN  7.00   (#   1824:10      Single   Ambig  )
 &rst
  ixpk= 1824, nxpk= 10, iat=  -1, 840, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 861, 862, 812, 813,
 &end
#
#  54 ALA          MB   57 GLN          HN  5.50   (#   1825:10  Preassigned   4.38, 5.20 A)
 &rst
  ixpk= 1825, nxpk= 10, iat=  -1, 840, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 802, 803, 804,
 &end
#
#  56 HIS         HD2   57 GLN          HN  5.50   (#   1826:10  Preassigned   4.87, 5.24 A)
 &rst
  ixpk= 1826, nxpk= 10, iat= 836, 840, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  57 GLN          HA   57 GLN          HN  2.80   (#   1827:10  Preassigned   2.20, 2.23 A)
 &rst
  ixpk= 1827, nxpk= 10, iat= 842, 840, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  56 HIS         HB+   57 GLN          HN  5.50   (#   1828:10  Preassigned   3.74, 4.17 A)
 &rst
  ixpk= 1828, nxpk= 10, iat=  -1, 840, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 827, 828,
 &end
#
#  73 CYS         HB+   73 CYS          HN  4.00   (#   1829:10  Preassigned   2.31, 3.07 A)
 &rst
  ixpk= 1829, nxpk= 10, iat=  -1,1104, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1108,1109,
 &end
#
# 109 ASN         HB-  109 ASN        HD2+  5.50   (#   1830:10  Preassigned   2.23, 3.34 A)
 &rst
  ixpk= 1830, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1717,1718,
 igr2=1722,1723,
 &end
#
# 100 LYS          HN   99 GLY          HN  5.50   (#   1832:10  Preassigned   2.65, 3.03 A)
 &rst
  ixpk= 1832, nxpk= 10, iat=1559,1552, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  98 ARG         HG-   99 GLY          HN  4.00   (#   1833:10  Preassigned   2.15, 3.67 A)
 &rst
  ixpk= 1833, nxpk= 10, iat=  -1,1552, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1535,1536,
 &end
#
# 110 GLU          HA  109 ASN          HN  5.50   (#   1834:10  Preassigned   3.63, 4.81 A)
 &rst
  ixpk= 1834, nxpk= 10, iat=1729,1713, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 109 ASN         HB+  109 ASN          HN  4.00   (#   1835:10  Preassigned   2.85, 3.35 A)
 &rst
  ixpk= 1835, nxpk= 10, iat=  -1,1713, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1717,1718,
 &end
#
# 110 GLU          HN  109 ASN          HN  4.00   (#   1836:10  Preassigned   2.01, 2.72 A)
 &rst
  ixpk= 1836, nxpk= 10, iat=1727,1713, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 108 ASP          HA  109 ASN          HN  4.00   (#   1837:10  Preassigned   2.36, 2.76 A)
 &rst
  ixpk= 1837, nxpk= 10, iat=1703,1713, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 109 ASN          HA  109 ASN          HN  2.80   (#   1838:10  Preassigned   2.22, 2.30 A)
 &rst
  ixpk= 1838, nxpk= 10, iat=1715,1713, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   0 AMB   10-2:1839  109 ASN          HN  5.50   (#   1839:10      Single   Ambig  )
 &rst
  ixpk= 1839, nxpk= 10, iat=  -1,1713, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1717,1718,1746,1747,
 &end
#
#  74 ARG          HN   73 CYS          HN  4.00   (#   1840:10  Preassigned   2.84, 2.92 A)
 &rst
  ixpk= 1840, nxpk= 10, iat=1115,1104, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  73 CYS          HA   73 CYS          HN  4.00   (#   1841:10  Preassigned   2.75, 2.79 A)
 &rst
  ixpk= 1841, nxpk= 10, iat=1106,1104, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  70 ARG          HA   73 CYS          HN  5.50   (#   1842:10  Preassigned   2.87, 3.16 A)
 &rst
  ixpk= 1842, nxpk= 10, iat=1039,1104, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  73 CYS         HB-   73 CYS          HN  4.00   (#   1843:10  Preassigned   2.31, 3.07 A)
 &rst
  ixpk= 1843, nxpk= 10, iat=  -1,1104, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1108,1109,
 &end
#
#  72 LEU         HB+   73 CYS          HN  4.00   (#   1844:10  Preassigned   2.53, 3.11 A)
 &rst
  ixpk= 1844, nxpk= 10, iat=  -1,1104, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1089,1090,
 &end
#
#  72 LEU         HB-   73 CYS          HN  5.50   (#   1845:10  Preassigned   2.53, 3.11 A)
 &rst
  ixpk= 1845, nxpk= 10, iat=  -1,1104, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1089,1090,
 &end
#
#  72 LEU         MDY   73 CYS          HN  5.50   (#   1846:10  Preassigned   4.67, 5.70 A)
 &rst
  ixpk= 1846, nxpk= 10, iat=  -1,1104, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#  72 LEU         MDX   73 CYS          HN  5.50   (#   1847:10  Preassigned   4.67, 5.70 A)
 &rst
  ixpk= 1847, nxpk= 10, iat=  -1,1104, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#  68 ILE         QD1   73 CYS          HN  6.00   (#   1848:10  Preassigned   3.47, 4.40 A)
 &rst
  ixpk= 1848, nxpk= 10, iat=  -1,1104, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=1020,1021,1022,
 &end
#
# 109 ASN          HA  109 ASN        HD2+  5.50   (#   1850:10  Preassigned   2.26, 4.04 A)
 &rst
  ixpk= 1850, nxpk= 10, iat=1715,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1722,1723,
 &end
#
# 109 ASN         HB+  109 ASN        HD2+  5.50   (#   1851:10  Preassigned   2.23, 3.34 A)
 &rst
  ixpk= 1851, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1717,1718,
 igr2=1722,1723,
 &end
#
#  68 ILE          HN   67 GLN        HE2+  5.50   (#   1852:10  Preassigned   2.83, 4.30 A)
 &rst
  ixpk= 1852, nxpk= 10, iat=1007,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1002,1003,
 &end
#
#  38 GLY         HA-   67 GLN        HE2+  6.00   (#   1854:10  Preassigned   2.40, 4.65 A)
 &rst
  ixpk= 1854, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 596, 597,
 igr2=1002,1003,
 &end
#
#  67 GLN          HA   67 GLN        HE2+  5.50   (#   1855:10  Preassigned   3.58, 4.57 A)
 &rst
  ixpk= 1855, nxpk= 10, iat= 992,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1002,1003,
 &end
#
#  37 LEU          HA   67 GLN        HE2+  5.50   (#   1856:10  Preassigned   3.15, 4.61 A)
 &rst
  ixpk= 1856, nxpk= 10, iat= 577,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1002,1003,
 &end
#
#  67 GLN         HG+   67 GLN        HE2+  5.50   (#   1857:10  Preassigned   2.22, 3.25 A)
 &rst
  ixpk= 1857, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 997, 998,
 igr2=1002,1003,
 &end
#
#   0 AMB   10-2:1858    0 AMB   10-1:1858  7.00   (#   1858:10      Double   Ambig  )
 &rst
  ixpk= 1858, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1011, 579, 580,
 igr2=1002,1003,1002,1003,
 &end
#
#   0 AMB   10-2:1859    0 AMB   10-1:1859  5.50   (#   1859:10      Double   Ambig  )
 &rst
  ixpk= 1859, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1013,1014,1015, 584, 585, 586, 588, 589, 590,
 igr2=1002,1003,1002,1003,
 &end
#
# 109 ASN         HB-  109 ASN        HD2-  5.50   (#   1861:10  Preassigned   2.23, 3.34 A)
 &rst
  ixpk= 1861, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1717,1718,
 igr2=1722,1723,
 &end
#
# 109 ASN         HB+  109 ASN        HD2-  5.50   (#   1863:10  Preassigned   2.23, 3.34 A)
 &rst
  ixpk= 1863, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1717,1718,
 igr2=1722,1723,
 &end
#
#  39 ALA          HN   67 GLN        HE2-  6.00   (#   1864:10  Preassigned   3.44, 4.56 A)
 &rst
  ixpk= 1864, nxpk= 10, iat= 601,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1002,1003,
 &end
#
#  38 GLY         HA-   67 GLN        HE2-  5.50   (#   1865:10  Preassigned   2.40, 4.65 A)
 &rst
  ixpk= 1865, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 596, 597,
 igr2=1002,1003,
 &end
#
#  67 GLN          HA   67 GLN        HE2-  7.00   (#   1866:10  Preassigned   3.58, 4.57 A)
 &rst
  ixpk= 1866, nxpk= 10, iat= 992,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1002,1003,
 &end
#
#  37 LEU          HA   67 GLN        HE2-  5.50   (#   1867:10  Preassigned   3.15, 4.61 A)
 &rst
  ixpk= 1867, nxpk= 10, iat= 577,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1002,1003,
 &end
#
#  38 GLY         HA+   67 GLN        HE2-  6.00   (#   1868:10  Preassigned   2.40, 4.65 A)
 &rst
  ixpk= 1868, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 596, 597,
 igr2=1002,1003,
 &end
#
#  67 GLN         HG+   67 GLN        HE2-  5.50   (#   1869:10  Preassigned   2.22, 3.25 A)
 &rst
  ixpk= 1869, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 997, 998,
 igr2=1002,1003,
 &end
#
#  68 ILE          HB   67 GLN        HE2-  6.00   (#   1870:10  Preassigned   4.56, 6.14 A)
 &rst
  ixpk= 1870, nxpk= 10, iat=1011,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1002,1003,
 &end
#
#  37 LEU         MDY   67 GLN        HE2-  5.50   (#   1871:10  Preassigned   3.50, 7.12 A)
 &rst
  ixpk= 1871, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 584, 585, 586, 588, 589, 590,
 igr2=1002,1003,
 &end
#
#  66 ARG        HH2+   34 SER          HN  5.50   (#   1872:10  Preassigned   2.02, 4.37 A)
 &rst
  ixpk= 1872, nxpk= 10, iat=  -1, 547, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 985, 986,
 &end
#
#  34 SER          HA   34 SER          HN  5.50   (#   1873:10  Preassigned   2.87, 2.95 A)
 &rst
  ixpk= 1873, nxpk= 10, iat= 549, 547, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   10-2:1875   34 SER          HN  7.00   (#   1875:10      Single   Ambig  )
 &rst
  ixpk= 1875, nxpk= 10, iat=  -1, 547, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=  90, 560,
 &end
#
#  33 GLU         HG+   34 SER          HN  5.50   (#   1876:10  Preassigned   1.91, 3.55 A)
 &rst
  ixpk= 1876, nxpk= 10, iat=  -1, 547, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 539, 540,
 &end
#
#   0 AMB   10-2:1877   34 SER          HN  2.80   (#   1877:10      Single   Ambig  )
 &rst
  ixpk= 1877, nxpk= 10, iat=  -1, 547, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 539, 540, 536, 537,
 &end
#
#  33 GLU         HB-   34 SER          HN  4.00   (#   1878:10  Preassigned   2.13, 3.27 A)
 &rst
  ixpk= 1878, nxpk= 10, iat=  -1, 547, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 536, 537,
 &end
#
#  98 ARG         HB-   99 GLY          HN  5.50   (#   1879:10  Preassigned   2.28, 3.78 A)
 &rst
  ixpk= 1879, nxpk= 10, iat=  -1,1552, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1532,1533,
 &end
#
#  98 ARG          HN   99 GLY          HN  5.50   (#   1880:10  Preassigned   2.91, 3.97 A)
 &rst
  ixpk= 1880, nxpk= 10, iat=1528,1552, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  99 GLY         HA+   99 GLY          HN  4.00   (#   1882:10  Preassigned   2.27, 2.59 A)
 &rst
  ixpk= 1882, nxpk= 10, iat=  -1,1552, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1554,1555,
 &end
#
#  98 ARG          HA   99 GLY          HN  4.00   (#   1883:10  Preassigned   2.34, 2.90 A)
 &rst
  ixpk= 1883, nxpk= 10, iat=1530,1552, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  99 GLY         HA-   99 GLY          HN  4.00   (#   1884:10  Preassigned   2.27, 2.59 A)
 &rst
  ixpk= 1884, nxpk= 10, iat=  -1,1552, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1554,1555,
 &end
#
#  98 ARG         HG+   99 GLY          HN  5.50   (#   1885:10  Preassigned   2.15, 3.67 A)
 &rst
  ixpk= 1885, nxpk= 10, iat=  -1,1552, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1535,1536,
 &end
#
# 121 ARG          HN  120 SER          HN  6.00   (#   1887:10  Preassigned   4.57, 4.66 A)
 &rst
  ixpk= 1887, nxpk= 10, iat=1905,1894, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 119 LYS          HA  120 SER          HN  2.80   (#   1888:10  Preassigned   2.41, 2.53 A)
 &rst
  ixpk= 1888, nxpk= 10, iat=1874,1894, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
# 120 SER         HB+  120 SER          HN  4.00   (#   1889:10  Preassigned   2.50, 3.05 A)
 &rst
  ixpk= 1889, nxpk= 10, iat=  -1,1894, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1898,1899,
 &end
#
#   0 AMB   10-2:1890  120 SER          HN  2.80   (#   1890:10      Single   Ambig  )
 &rst
  ixpk= 1890, nxpk= 10, iat=  -1,1894, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1876,1877,1876,1877,
 &end
#
# 119 LYS         HD-  120 SER          HN  5.50   (#   1891:10  Preassigned   3.85, 5.13 A)
 &rst
  ixpk= 1891, nxpk= 10, iat=  -1,1894, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1882,1883,
 &end
#
# 119 LYS         HG+  120 SER          HN  5.50   (#   1892:10  Preassigned   2.55, 4.29 A)
 &rst
  ixpk= 1892, nxpk= 10, iat=  -1,1894, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1879,1880,
 &end
#
# 119 LYS         HG-  120 SER          HN  5.50   (#   1893:10  Preassigned   2.55, 4.29 A)
 &rst
  ixpk= 1893, nxpk= 10, iat=  -1,1894, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1879,1880,
 &end
#
# 123 THR         MG2  120 SER          HN  5.50   (#   1894:10  Preassigned   4.04, 5.51 A)
 &rst
  ixpk= 1894, nxpk= 10, iat=  -1,1894, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1950,1951,1952,
 &end
#
# 119 LYS          HN  120 SER          HN  5.50   (#   1895:10  Preassigned   4.34, 4.51 A)
 &rst
  ixpk= 1895, nxpk= 10, iat=1872,1894, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   10-2:1897    0 AMB   10-1:1897  4.00   (#   1897:10      Double   Ambig  )
 &rst
  ixpk= 1897, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
 igr1=2314,2315,2314,2315,
 igr2=2319,2320,2319,2320,
 &end
#
#  56 HIS          HA   57 GLN        HE2+  5.50   (#   1899:10  Preassigned   2.69, 4.78 A)
 &rst
  ixpk= 1899, nxpk= 10, iat= 825,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 852, 853,
 &end
#
#  56 HIS         HB+   57 GLN        HE2+  5.50   (#   1900:10      Unique   4.99, 6.75 A)
 &rst
  ixpk= 1900, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 827, 828,
 igr2= 852, 853,
 &end
#
#  93 MET         HG+   67 GLN        HE2+  7.00   (#   1901:10      Unique   4.65, 7.66 A)
 &rst
  ixpk= 1901, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1462,1463,
 igr2=1002,1003,
 &end
#
#  67 GLN         HG-   67 GLN        HE2+  4.00   (#   1902:10  Preassigned   2.22, 3.25 A)
 &rst
  ixpk= 1902, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 997, 998,
 igr2=1002,1003,
 &end
#
#  67 GLN         HB-   67 GLN        HE2+  7.00   (#   1903:10  Preassigned   2.83, 4.48 A)
 &rst
  ixpk= 1903, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 994, 995,
 igr2=1002,1003,
 &end
#
#   0 AMB   10-2:1904   74 ARG          HN  5.50   (#   1904:10      Single   Ambig  )
 &rst
  ixpk= 1904, nxpk= 10, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1143,1144,1143,1144,
 &end
#
#   0 AMB   10-2:1906  146 GLN        HE2-  5.50   (#   1906:10      Single   Ambig  )
 &rst
  ixpk= 1906, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=2314,2315,2314,2315,
 igr2=2319,2320,
 &end
#
#  68 ILE          HN   67 GLN        HE2-  6.00   (#   1907:10  Preassigned   2.83, 4.30 A)
 &rst
  ixpk= 1907, nxpk= 10, iat=1007,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1002,1003,
 &end
#
#  67 GLN         HG-   67 GLN        HE2-  5.50   (#   1908:10  Preassigned   2.22, 3.25 A)
 &rst
  ixpk= 1908, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 997, 998,
 igr2=1002,1003,
 &end
#
#  76 TYR          HE   34 SER          HN  6.00   (#   1910:10  Preassigned   5.47, 6.38 A)
 &rst
  ixpk= 1910, nxpk= 10, iat=  -1, 547, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1163,1168,
 &end
#
#   0 AMB   10-2:1911   34 SER          HN  5.50   (#   1911:10      Single   Ambig  )
 &rst
  ixpk= 1911, nxpk= 10, iat=  -1, 547, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 551, 552, 551, 552,
 &end
#
#   0 AMB   10-2:1912   34 SER          HN  5.50   (#   1912:10      Single   Ambig  )
 &rst
  ixpk= 1912, nxpk= 10, iat=  -1, 547, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 297, 298, 294, 295,
 &end
#
#   6 LEU         MDY   34 SER          HN  5.50   (#   1913:10  Preassigned   3.18, 5.52 A)
 &rst
  ixpk= 1913, nxpk= 10, iat=  -1, 547, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  97,  98,  99, 101, 102, 103,
 &end
#
#  57 GLN          HN   57 GLN        HE2+  5.50   (#   1915:10  Preassigned   2.33, 3.42 A)
 &rst
  ixpk= 1915, nxpk= 10, iat= 840,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 852, 853,
 &end
#
#  55 GLU          HA   57 GLN        HE2+  5.50   (#   1916:10  Preassigned   2.82, 3.90 A)
 &rst
  ixpk= 1916, nxpk= 10, iat= 810,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 852, 853,
 &end
#
#  57 GLN          HA   57 GLN        HE2+  5.50   (#   1917:10  Preassigned   2.36, 3.81 A)
 &rst
  ixpk= 1917, nxpk= 10, iat= 842,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 852, 853,
 &end
#
#  57 GLN         HG-   57 GLN        HE2+  4.00   (#   1918:10      Unique   2.22, 3.36 A)
 &rst
  ixpk= 1918, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 847, 848,
 igr2= 852, 853,
 &end
#
#   0 AMB   10-2:1919   74 ARG          HN  4.00   (#   1919:10      Single   Ambig  )
 &rst
  ixpk= 1919, nxpk= 10, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1104,1085,
 &end
#
#  75 ASN          HN   74 ARG          HN  2.80   (#   1920:10  Preassigned   2.54, 2.65 A)
 &rst
  ixpk= 1920, nxpk= 10, iat=1139,1115, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  74 ARG          HA   74 ARG          HN  4.00   (#   1921:10  Preassigned   2.84, 2.89 A)
 &rst
  ixpk= 1921, nxpk= 10, iat=1117,1115, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB   10-2:1922   74 ARG          HN  4.00   (#   1922:10      Single   Ambig  )
 &rst
  ixpk= 1922, nxpk= 10, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1063,1106,
 &end
#
#   0 AMB   10-2:1923   74 ARG          HN  4.00   (#   1923:10      Single   Ambig  )
 &rst
  ixpk= 1923, nxpk= 10, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1125,1126,1108,1109,
 &end
#
#  73 CYS         HB+   74 ARG          HN  5.50   (#   1924:10  Preassigned   2.55, 3.25 A)
 &rst
  ixpk= 1924, nxpk= 10, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1108,1109,
 &end
#
#  74 ARG         HB+   74 ARG          HN  4.00   (#   1926:10  Preassigned   2.21, 2.88 A)
 &rst
  ixpk= 1926, nxpk= 10, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1119,1120,
 &end
#
#  74 ARG         HG+   74 ARG          HN  4.00   (#   1928:10  Preassigned   2.34, 3.49 A)
 &rst
  ixpk= 1928, nxpk= 10, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1122,1123,
 &end
#
#   0 AMB   10-2:1929   74 ARG          HN  7.00   (#   1929:10      Single   Ambig  )
 &rst
  ixpk= 1929, nxpk= 10, iat=  -1,1115, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
 igr1=1218,1219,1220,1094,1095,1096,1098,1099,1100,
 &end
#
#  57 GLN          HA   57 GLN        HE2-  7.00   (#   1930:10  Preassigned   2.36, 3.81 A)
 &rst
  ixpk= 1930, nxpk= 10, iat= 842,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 852, 853,
 &end
#
#  56 HIS          HA   57 GLN        HE2-  5.50   (#   1933:10  Preassigned   2.69, 4.78 A)
 &rst
  ixpk= 1933, nxpk= 10, iat= 825,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 852, 853,
 &end
#
#  55 GLU          HA   57 GLN        HE2-  7.00   (#   1934:10  Preassigned   2.82, 3.90 A)
 &rst
  ixpk= 1934, nxpk= 10, iat= 810,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 852, 853,
 &end
#
#  57 GLN         HG-   57 GLN        HE2-  5.50   (#   1935:10  Preassigned   2.22, 3.36 A)
 &rst
  ixpk= 1935, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 847, 848,
 igr2= 852, 853,
 &end
#
#   0 AMB   10-2:1939    0 AMB   10-1:1939  2.80   (#   1939:10      Double   Ambig  )
 &rst
  ixpk= 1939, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1143,1144,1143,1144,
 igr2=1148,1149,1148,1149,
 &end
#
#  72 LEU         MDY   75 ASN        HD2+  5.50   (#   1941:10  Preassigned   3.85, 7.31 A)
 &rst
  ixpk= 1941, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1094,1095,1096,1098,1099,1100,
 igr2=1148,1149,
 &end
#
#  75 ASN          HA   75 ASN        HD2+  5.50   (#   1942:10  Preassigned   2.65, 4.09 A)
 &rst
  ixpk= 1942, nxpk= 10, iat=1141,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1148,1149,
 &end
#
#  72 LEU         MDY   75 ASN        HD2-  5.50   (#   1945:10  Preassigned   3.85, 7.31 A)
 &rst
  ixpk= 1945, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1094,1095,1096,1098,1099,1100,
 igr2=1148,1149,
 &end
#
#  75 ASN          HA   75 ASN        HD2-  5.50   (#   1947:10  Preassigned   2.65, 4.09 A)
 &rst
  ixpk= 1947, nxpk= 10, iat=1141,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1148,1149,
 &end
#
#   0 AMB   10-2:1948   75 ASN        HD2-  5.50   (#   1948:10      Single   Ambig  )
 &rst
  ixpk= 1948, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1143,1144,1143,1144,
 igr2=1148,1149,
 &end
#
#  72 LEU          HG   75 ASN        HD2-  5.50   (#   1949:10  Preassigned   4.57, 6.59 A)
 &rst
  ixpk= 1949, nxpk= 10, iat=1092,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1148,1149,
 &end
#
#  61 GLU          HN   62 GLY          HN  6.00   (#   1950:10  Preassigned   2.78, 4.12 A)
 &rst
  ixpk= 1950, nxpk= 10, iat= 906, 921, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  63 HIS          HN   62 GLY          HN  5.50   (#   1951:10  Preassigned   2.35, 2.99 A)
 &rst
  ixpk= 1951, nxpk= 10, iat= 928, 921, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  62 GLY         HA+   62 GLY          HN  4.00   (#   1953:10  Preassigned   2.27, 2.66 A)
 &rst
  ixpk= 1953, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 923, 924,
 &end
#
#  61 GLU          HA   62 GLY          HN  4.00   (#   1954:10  Preassigned   2.22, 2.78 A)
 &rst
  ixpk= 1954, nxpk= 10, iat= 908, 921, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  62 GLY         HA-   62 GLY          HN  4.00   (#   1955:10  Preassigned   2.27, 2.66 A)
 &rst
  ixpk= 1955, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 923, 924,
 &end
#
#   0 AMB   10-2:1956   62 GLY          HN  5.50   (#   1956:10      Single   Ambig  )
 &rst
  ixpk= 1956, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 913, 914, 913, 914,
 &end
#
#  61 GLU         HB+   62 GLY          HN  5.50   (#   1957:10  Preassigned   2.05, 3.49 A)
 &rst
  ixpk= 1957, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 910, 911,
 &end
#
#  61 GLU         HB-   62 GLY          HN  5.50   (#   1958:10  Preassigned   2.05, 3.49 A)
 &rst
  ixpk= 1958, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 910, 911,
 &end
#
# 109 ASN         HB+  110 GLU          HN  5.50   (#   1959:10  Preassigned   4.05, 4.47 A)
 &rst
  ixpk= 1959, nxpk= 10, iat=  -1,1727, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1717,1718,
 &end
#
# 140 GLN         HB-  143 ASN        HD2-  5.50   (#   1960:10  Preassigned   4.43, 6.11 A)
 &rst
  ixpk= 1960, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2226,2227,
 igr2=2277,2278,
 &end
#
#  72 LEU         MDX   75 ASN        HD2-  7.00   (#   1961:10  Preassigned   3.85, 7.31 A)
 &rst
  ixpk= 1961, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1094,1095,1096,1098,1099,1100,
 igr2=1148,1149,
 &end
#
# 140 GLN         HG+  140 GLN        HE2-  5.50   (#   1962:10  Preassigned   2.24, 3.28 A)
 &rst
  ixpk= 1962, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2229,2230,
 igr2=2234,2235,
 &end
#
# 140 GLN          HA  143 ASN        HD2+  5.50   (#   1965:10  Preassigned   3.06, 4.39 A)
 &rst
  ixpk= 1965, nxpk= 10, iat=2224,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2277,2278,
 &end
#
# 143 ASN         HB+  143 ASN        HD2+  4.00   (#   1966:10  Preassigned   2.19, 3.25 A)
 &rst
  ixpk= 1966, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=2272,2273,
 igr2=2277,2278,
 &end
#
# 143 ASN         HB-  143 ASN        HD2+  4.00   (#   1967:10  Preassigned   2.19, 3.25 A)
 &rst
  ixpk= 1967, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=2272,2273,
 igr2=2277,2278,
 &end
#
# 140 GLN         HG-  140 GLN        HE2+  5.50   (#   1970:10  Preassigned   2.24, 3.28 A)
 &rst
  ixpk= 1970, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2229,2230,
 igr2=2234,2235,
 &end
#
# 140 GLN         HG+  140 GLN        HE2+  5.50   (#   1971:10  Preassigned   2.24, 3.28 A)
 &rst
  ixpk= 1971, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2229,2230,
 igr2=2234,2235,
 &end
#
# 108 ASP          HA  110 GLU          HN  5.50   (#   1972:10  Preassigned   4.21, 4.70 A)
 &rst
  ixpk= 1972, nxpk= 10, iat=1703,1727, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 109 ASN          HN  110 GLU          HN  4.00   (#   1973:10  Preassigned   2.01, 2.72 A)
 &rst
  ixpk= 1973, nxpk= 10, iat=1713,1727, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 108 ASP          HN  110 GLU          HN  5.50   (#   1974:10  Preassigned   2.64, 3.12 A)
 &rst
  ixpk= 1974, nxpk= 10, iat=1701,1727, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 109 ASN          HA  110 GLU          HN  4.00   (#   1975:10  Preassigned   2.43, 2.77 A)
 &rst
  ixpk= 1975, nxpk= 10, iat=1715,1727, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 106 HIS          HA  110 GLU          HN  4.00   (#   1976:10  Preassigned   2.62, 3.19 A)
 &rst
  ixpk= 1976, nxpk= 10, iat=1662,1727, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 110 GLU          HA  110 GLU          HN  2.80   (#   1977:10  Preassigned   2.17, 2.21 A)
 &rst
  ixpk= 1977, nxpk= 10, iat=1729,1727, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
# 111 CYS         HB+  110 GLU          HN  5.50   (#   1978:10  Preassigned   4.74, 5.52 A)
 &rst
  ixpk= 1978, nxpk= 10, iat=  -1,1727, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1746,1747,
 &end
#
# 110 GLU         HG+  110 GLU          HN  5.50   (#   1979:10  Preassigned   2.73, 4.00 A)
 &rst
  ixpk= 1979, nxpk= 10, iat=  -1,1727, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1734,1735,
 &end
#
# 110 GLU         HG-  110 GLU          HN  5.50   (#   1980:10  Preassigned   2.73, 4.00 A)
 &rst
  ixpk= 1980, nxpk= 10, iat=  -1,1727, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1734,1735,
 &end
#
#   0 AMB   10-2:1981  110 GLU          HN  4.00   (#   1981:10      Single   Ambig  )
 &rst
  ixpk= 1981, nxpk= 10, iat=  -1,1727, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1731,1732,1731,1732,
 &end
#
# 103 LEU         MDX  110 GLU          HN  5.50   (#   1982:10  Preassigned   4.35, 7.29 A)
 &rst
  ixpk= 1982, nxpk= 10, iat=  -1,1727, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
# 140 GLN          HA  143 ASN        HD2-  5.50   (#   1985:10  Preassigned   3.06, 4.39 A)
 &rst
  ixpk= 1985, nxpk= 10, iat=2224,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2277,2278,
 &end
#
# 143 ASN         HB+  143 ASN        HD2-  5.50   (#   1986:10  Preassigned   2.19, 3.25 A)
 &rst
  ixpk= 1986, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2272,2273,
 igr2=2277,2278,
 &end
#
# 143 ASN         HB-  143 ASN        HD2-  5.50   (#   1987:10  Preassigned   2.19, 3.25 A)
 &rst
  ixpk= 1987, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2272,2273,
 igr2=2277,2278,
 &end
#
# 140 GLN         HG-  140 GLN        HE2-  5.50   (#   1992:10  Preassigned   2.24, 3.28 A)
 &rst
  ixpk= 1992, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2229,2230,
 igr2=2234,2235,
 &end
#
# 140 GLN         HB+  140 GLN        HE2-  7.00   (#   1993:10  Preassigned   3.12, 4.37 A)
 &rst
  ixpk= 1993, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=2226,2227,
 igr2=2234,2235,
 &end
#
# 141 ALA          HA  140 GLN        HE2-  6.00   (#   1994:10  Preassigned   4.11, 6.77 A)
 &rst
  ixpk= 1994, nxpk= 10, iat=2241,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=2234,2235,
 &end
#
#  17 PRO         HD-   18 THR          HN  5.50   (#   1995:10      Unique   2.70, 3.62 A)
 &rst
  ixpk= 1995, nxpk= 10, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 253, 254,
 &end
#
#  17 PRO         HG+   18 THR          HN  5.50   (#   1996:10  Preassigned   2.19, 3.61 A)
 &rst
  ixpk= 1996, nxpk= 10, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 256, 257,
 &end
#
#  18 THR          HB   18 THR          HN  4.00   (#   1997:10  Preassigned   2.38, 2.60 A)
 &rst
  ixpk= 1997, nxpk= 10, iat= 270, 266, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB   10-2:1998   18 THR          HN  5.50   (#   1998:10      Single   Ambig  )
 &rst
  ixpk= 1998, nxpk= 10, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 736, 737, 738, 336,
 &end
#
#   0 AMB   10-2:1999   18 THR          HN  5.50   (#   1999:10      Single   Ambig  )
 &rst
  ixpk= 1999, nxpk= 10, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
       901, 902,
 &end
#
#  19 ALA          HN   18 THR          HN  4.00   (#   2007:10  Preassigned   2.62, 2.73 A)
 &rst
  ixpk= 2007, nxpk= 10, iat= 280, 266, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  18 THR          HA   18 THR          HN  4.00   (#   2009:10  Preassigned   2.77, 2.81 A)
 &rst
  ixpk= 2009, nxpk= 10, iat= 268, 266, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  18 THR         MG2   18 THR          HN  5.50   (#   2010:10  Preassigned   4.09, 4.38 A)
 &rst
  ixpk= 2010, nxpk= 10, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 272, 273, 274,
 &end
#
#  17 PRO         HB+   18 THR          HN  5.50   (#   2011:10  Preassigned   2.42, 3.39 A)
 &rst
  ixpk= 2011, nxpk= 10, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 259, 260,
 &end
#
#  17 PRO         HG-   18 THR          HN  5.50   (#   2012:10  Preassigned   2.19, 3.61 A)
 &rst
  ixpk= 2012, nxpk= 10, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 256, 257,
 &end
#
#  20 GLU          HN   18 THR          HN  6.00   (#   2013:10  Preassigned   4.19, 4.41 A)
 &rst
  ixpk= 2013, nxpk= 10, iat= 290, 266, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  17 PRO         HD+   18 THR          HN  5.50   (#   2014:10      Unique   2.70, 3.62 A)
 &rst
  ixpk= 2014, nxpk= 10, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 253, 254,
 &end
#
# 131 LEU         MDX   18 THR          HN  5.50   (#   2015:10  Preassigned   4.07, 5.95 A)
 &rst
  ixpk= 2015, nxpk= 10, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2077,2078,2079,2081,2082,2083,
 &end
#
#  17 PRO         HB-   18 THR          HN  5.50   (#   2016:10  Preassigned   2.42, 3.39 A)
 &rst
  ixpk= 2016, nxpk= 10, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 259, 260,
 &end
#
# 133 ARG         HD-  137 GLN        HE2+  6.00   (#   2022:10  Preassigned   3.32, 5.33 A)
 &rst
  ixpk= 2022, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=2112,2113,
 igr2=2183,2184,
 &end
#
# 107 TRP         HB-  137 GLN        HE2+  5.50   (#   2023:10  Preassigned   2.08, 3.92 A)
 &rst
  ixpk= 2023, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1681,1682,
 igr2=2183,2184,
 &end
#
# 137 GLN         HG+  137 GLN        HE2+  5.50   (#   2024:10  Preassigned   2.15, 3.23 A)
 &rst
  ixpk= 2024, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2178,2179,
 igr2=2183,2184,
 &end
#
# 133 ARG         HG+  137 GLN        HE2+  6.00   (#   2025:10  Preassigned   2.86, 4.85 A)
 &rst
  ixpk= 2025, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=2109,2110,
 igr2=2183,2184,
 &end
#
# 108 ASP          HA  137 GLN        HE2+  5.50   (#   2026:10  Preassigned   2.44, 5.24 A)
 &rst
  ixpk= 2026, nxpk= 10, iat=1703,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2183,2184,
 &end
#
# 137 GLN          HA  137 GLN        HE2+  7.00   (#   2028:10  Preassigned   4.45, 5.16 A)
 &rst
  ixpk= 2028, nxpk= 10, iat=2173,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=2183,2184,
 &end
#
# 107 TRP         HB+  137 GLN        HE2+  5.50   (#   2029:10  Preassigned   2.08, 3.92 A)
 &rst
  ixpk= 2029, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1681,1682,
 igr2=2183,2184,
 &end
#
# 108 ASP         HB+  137 GLN        HE2+  6.00   (#   2030:10  Preassigned   2.93, 6.60 A)
 &rst
  ixpk= 2030, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1705,1706,
 igr2=2183,2184,
 &end
#
# 137 GLN         HG-  137 GLN        HE2+  4.00   (#   2031:10  Preassigned   2.15, 3.23 A)
 &rst
  ixpk= 2031, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=2178,2179,
 igr2=2183,2184,
 &end
#
# 133 ARG         HG-  137 GLN        HE2+  5.50   (#   2032:10  Preassigned   2.86, 4.85 A)
 &rst
  ixpk= 2032, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2109,2110,
 igr2=2183,2184,
 &end
#
# 133 ARG          HE  137 GLN        HE2-  7.00   (#   2033:10  Preassigned   2.56, 4.66 A)
 &rst
  ixpk= 2033, nxpk= 10, iat=2115,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=2183,2184,
 &end
#
# 108 ASP          HN  137 GLN        HE2-  5.50   (#   2034:10  Preassigned   4.84, 6.11 A)
 &rst
  ixpk= 2034, nxpk= 10, iat=1701,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2183,2184,
 &end
#
# 108 ASP          HA  137 GLN        HE2-  5.50   (#   2036:10  Preassigned   2.44, 5.24 A)
 &rst
  ixpk= 2036, nxpk= 10, iat=1703,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2183,2184,
 &end
#
# 107 TRP         HB+  137 GLN        HE2-  5.50   (#   2037:10  Preassigned   2.08, 3.92 A)
 &rst
  ixpk= 2037, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1681,1682,
 igr2=2183,2184,
 &end
#
# 108 ASP         HB+  137 GLN        HE2-  6.00   (#   2038:10  Preassigned   2.93, 6.60 A)
 &rst
  ixpk= 2038, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1705,1706,
 igr2=2183,2184,
 &end
#
# 107 TRP         HB-  137 GLN        HE2-  5.50   (#   2039:10  Preassigned   2.08, 3.92 A)
 &rst
  ixpk= 2039, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1681,1682,
 igr2=2183,2184,
 &end
#
# 140 GLN         HG-  137 GLN        HE2-  7.00   (#   2040:10  Preassigned   5.86, 7.28 A)
 &rst
  ixpk= 2040, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=2229,2230,
 igr2=2183,2184,
 &end
#
# 137 GLN         HG-  137 GLN        HE2-  5.50   (#   2041:10  Preassigned   2.15, 3.23 A)
 &rst
  ixpk= 2041, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2178,2179,
 igr2=2183,2184,
 &end
#
# 133 ARG         HG-  137 GLN        HE2-  5.50   (#   2042:10  Preassigned   2.86, 4.85 A)
 &rst
  ixpk= 2042, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2109,2110,
 igr2=2183,2184,
 &end
#
# 137 GLN          HA  137 GLN        HE2-  5.50   (#   2043:10  Preassigned   4.45, 5.16 A)
 &rst
  ixpk= 2043, nxpk= 10, iat=2173,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2183,2184,
 &end
#
# 133 ARG         HD-  137 GLN        HE2-  5.50   (#   2044:10  Preassigned   3.32, 5.33 A)
 &rst
  ixpk= 2044, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2112,2113,
 igr2=2183,2184,
 &end
#
# 137 GLN         HG+  137 GLN        HE2-  5.50   (#   2045:10  Preassigned   2.15, 3.23 A)
 &rst
  ixpk= 2045, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2178,2179,
 igr2=2183,2184,
 &end
#
# 133 ARG         HG+  137 GLN        HE2-  7.00   (#   2046:10  Preassigned   2.86, 4.85 A)
 &rst
  ixpk= 2046, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=2109,2110,
 igr2=2183,2184,
 &end
#
# 103 LEU         MDX  105 GLY          HN  6.00   (#   2060:10  Preassigned   1.94, 4.13 A)
 &rst
  ixpk= 2060, nxpk= 10, iat=  -1,1653, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
# 104 PHE          HN  105 GLY          HN  5.50   (#   2061:10  Preassigned   2.63, 2.86 A)
 &rst
  ixpk= 2061, nxpk= 10, iat=1633,1653, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 106 HIS          HN  105 GLY          HN  5.50   (#   2062:10  Preassigned   2.74, 2.94 A)
 &rst
  ixpk= 2062, nxpk= 10, iat=1660,1653, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 104 PHE          HD  105 GLY          HN  5.50   (#   2063:10  Preassigned   4.37, 5.25 A)
 &rst
  ixpk= 2063, nxpk= 10, iat=  -1,1653, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1641,1649,
 &end
#
# 105 GLY         HA+  105 GLY          HN  4.00   (#   2064:10  Preassigned   2.26, 2.58 A)
 &rst
  ixpk= 2064, nxpk= 10, iat=  -1,1653, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1655,1656,
 &end
#
#   0 AMB   10-2:2066  105 GLY          HN  5.50   (#   2066:10      Single   Ambig  )
 &rst
  ixpk= 2066, nxpk= 10, iat=  -1,1653, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1755,1616,
 &end
#
# 105 GLY         HA-  105 GLY          HN  4.00   (#   2067:10  Preassigned   2.26, 2.58 A)
 &rst
  ixpk= 2067, nxpk= 10, iat=  -1,1653, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1655,1656,
 &end
#
# 104 PHE         HB+  105 GLY          HN  5.50   (#   2068:10  Preassigned   2.74, 3.24 A)
 &rst
  ixpk= 2068, nxpk= 10, iat=  -1,1653, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1637,1638,
 &end
#
# 103 LEU         HB-  105 GLY          HN  4.00   (#   2070:10  Preassigned   2.43, 4.27 A)
 &rst
  ixpk= 2070, nxpk= 10, iat=  -1,1653, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1618,1619,
 &end
#
# 103 LEU         HB+  105 GLY          HN  5.50   (#   2071:10  Preassigned   2.43, 4.27 A)
 &rst
  ixpk= 2071, nxpk= 10, iat=  -1,1653, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1618,1619,
 &end
#
# 103 LEU         MDY  105 GLY          HN  5.50   (#   2072:10  Preassigned   1.94, 4.13 A)
 &rst
  ixpk= 2072, nxpk= 10, iat=  -1,1653, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
# 113 ILE         QD1  105 GLY          HN  5.50   (#   2073:10  Preassigned   3.39, 4.95 A)
 &rst
  ixpk= 2073, nxpk= 10, iat=  -1,1653, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1781,1782,1783,
 &end
#
#  45 ALA          HN   44 GLY          HN  5.50   (#   2075:10  Preassigned   2.57, 4.26 A)
 &rst
  ixpk= 2075, nxpk= 10, iat= 682, 675, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  43 LYS         HB-   44 GLY          HN  5.50   (#   2076:10  Preassigned   2.51, 3.77 A)
 &rst
  ixpk= 2076, nxpk= 10, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 657, 658,
 &end
#
#   0 AMB   10-2:2078   44 GLY          HN  5.50   (#   2078:10      Single   Ambig  )
 &rst
  ixpk= 2078, nxpk= 10, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 660, 661, 960, 961, 962,
 &end
#
#  44 GLY         HA+   44 GLY          HN  4.00   (#   2079:10  Preassigned   2.33, 2.68 A)
 &rst
  ixpk= 2079, nxpk= 10, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 677, 678,
 &end
#
#  43 LYS          HA   44 GLY          HN  4.00   (#   2080:10  Preassigned   2.25, 2.54 A)
 &rst
  ixpk= 2080, nxpk= 10, iat= 655, 675, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  43 LYS         HB+   44 GLY          HN  5.50   (#   2081:10  Preassigned   2.51, 3.77 A)
 &rst
  ixpk= 2081, nxpk= 10, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 657, 658,
 &end
#
#  80 LEU         MDX   80 LEU          HN  5.50   (#   2082:10  Preassigned   2.25, 4.18 A)
 &rst
  ixpk= 2082, nxpk= 10, iat=  -1,1224, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1233,1234,1235,1237,1238,1239,
 &end
#
#  24 GLN          HN   25 ARG          HN  4.00   (#   2083:10  Preassigned   2.79, 2.82 A)
 &rst
  ixpk= 2083, nxpk= 10, iat= 367, 384, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  99 GLY          HN  100 LYS          HN  4.00   (#   2084:10  Preassigned   2.65, 3.03 A)
 &rst
  ixpk= 2084, nxpk= 10, iat=1552,1559, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 101 VAL          HN  100 LYS          HN  4.00   (#   2085:10  Preassigned   1.91, 2.37 A)
 &rst
  ixpk= 2085, nxpk= 10, iat=1581,1559, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  99 GLY         HA-  100 LYS          HN  5.50   (#   2086:10  Preassigned   2.74, 3.29 A)
 &rst
  ixpk= 2086, nxpk= 10, iat=  -1,1559, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1554,1555,
 &end
#
#  98 ARG          HA  100 LYS          HN  5.50   (#   2087:10  Preassigned   3.07, 3.68 A)
 &rst
  ixpk= 2087, nxpk= 10, iat=1530,1559, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   10-2:2089   35 ALA          HN  5.50   (#   2089:10      Single   Ambig  )
 &rst
  ixpk= 2089, nxpk= 10, iat=  -1, 558, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 107, 547,
 &end
#
#  34 SER          HA   35 ALA          HN  4.00   (#   2090:10  Preassigned   2.42, 2.54 A)
 &rst
  ixpk= 2090, nxpk= 10, iat= 549, 558, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   7 VAL         MGX   35 ALA          HN  6.00   (#   2091:10  Preassigned   3.67, 6.17 A)
 &rst
  ixpk= 2091, nxpk= 10, iat=  -1, 558, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 113, 114, 115, 117, 118, 119,
 &end
#
#   8 VAL          HA   35 ALA          HN  4.00   (#   2093:10  Preassigned   2.73, 3.05 A)
 &rst
  ixpk= 2093, nxpk= 10, iat= 125, 558, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  35 ALA          HA   35 ALA          HN  4.00   (#   2095:10  Preassigned   2.69, 2.76 A)
 &rst
  ixpk= 2095, nxpk= 10, iat= 560, 558, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB   10-2:2096   35 ALA          HN  4.00   (#   2096:10      Single   Ambig  )
 &rst
  ixpk= 2096, nxpk= 10, iat=  -1, 558, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 551, 552, 551, 552,
 &end
#
#  35 ALA          MB   35 ALA          HN  4.00   (#   2097:10  Preassigned   2.97, 3.65 A)
 &rst
  ixpk= 2097, nxpk= 10, iat=  -1, 558, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 562, 563, 564,
 &end
#
#   8 VAL         MGY   35 ALA          HN  5.50   (#   2098:10  Preassigned   3.32, 5.24 A)
 &rst
  ixpk= 2098, nxpk= 10, iat=  -1, 558, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 129, 130, 131, 133, 134, 135,
 &end
#
#   6 LEU         MDY   35 ALA          HN  5.50   (#   2099:10  Preassigned   3.58, 5.49 A)
 &rst
  ixpk= 2099, nxpk= 10, iat=  -1, 558, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  97,  98,  99, 101, 102, 103,
 &end
#
#  36 GLY          HN   35 ALA          HN  5.50   (#   2101:10  Preassigned   4.22, 4.27 A)
 &rst
  ixpk= 2101, nxpk= 10, iat= 568, 558, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  23 LEU          HA   24 GLN          HN  5.50   (#   2103:10  Preassigned   3.59, 3.61 A)
 &rst
  ixpk= 2103, nxpk= 10, iat= 350, 367, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  20 GLU         HG-   33 GLU          HN  5.50   (#   2104:10  Preassigned   3.65, 5.79 A)
 &rst
  ixpk= 2104, nxpk= 10, iat=  -1, 532, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 297, 298,
 &end
#
#  39 ALA          MB   36 GLY          HN  4.00   (#   2105:10  Preassigned   2.22, 3.39 A)
 &rst
  ixpk= 2105, nxpk= 10, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 605, 606, 607,
 &end
#
#  60 LEU          HG   60 LEU          HN  5.50   (#   2107:10  Preassigned   2.07, 3.20 A)
 &rst
  ixpk= 2107, nxpk= 10, iat= 894, 887, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 132 GLU          HA  135 ALA          HN  4.00   (#   2108:10  Preassigned   2.94, 3.15 A)
 &rst
  ixpk= 2108, nxpk= 10, iat=2089,2137, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  79 ILE          HA   80 LEU          HN  2.80   (#   2109:10  Preassigned   2.24, 2.33 A)
 &rst
  ixpk= 2109, nxpk= 10, iat=1207,1224, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  42 GLY         HA+   43 LYS          HN  5.50   (#   2110:10  Preassigned   2.98, 3.34 A)
 &rst
  ixpk= 2110, nxpk= 10, iat=  -1, 653, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 648, 649,
 &end
#
#  64 CYS          HA   43 LYS          HN  5.50   (#   2111:10  Preassigned   5.40, 5.54 A)
 &rst
  ixpk= 2111, nxpk= 10, iat= 947, 653, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  55 GLU         HB-   55 GLU          HN  2.80   (#   2112:10  Preassigned   2.14, 2.64 A)
 &rst
  ixpk= 2112, nxpk= 10, iat=  -1, 808, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 812, 813,
 &end
#
#  53 ALA          MB   55 GLU          HN  5.50   (#   2113:10  Preassigned   4.81, 5.52 A)
 &rst
  ixpk= 2113, nxpk= 10, iat=  -1, 808, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 792, 793, 794,
 &end
#
#  16 SER          HA   20 GLU          HN  5.50   (#   2115:10  Preassigned   3.39, 3.70 A)
 &rst
  ixpk= 2115, nxpk= 10, iat= 243, 290, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  20 GLU          HN   22 LEU          HN  5.50   (#   2118:10  Preassigned   4.20, 4.29 A)
 &rst
  ixpk= 2118, nxpk= 10, iat= 290, 329, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 100 LYS          HA  100 LYS          HN  4.00   (#   2119:10  Preassigned   2.92, 2.96 A)
 &rst
  ixpk= 2119, nxpk= 10, iat=1561,1559, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB   10-2:2120    0 AMB   10-1:2120  5.50   (#   2120:10      Double   Ambig  )
 &rst
  ixpk= 2120, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  88, 429,
 igr2=1186, 384,
 &end
#
#  86 HIS         HD2   82 MET          HN  5.50   (#   2121:10  Preassigned   1.90, 2.92 A)
 &rst
  ixpk= 2121, nxpk= 10, iat=1348,1257, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 104 PHE          HN  138 TRP         HE1  5.50   (#   2127:10  Preassigned   3.59, 4.37 A)
 &rst
  ixpk= 2127, nxpk= 10, iat=1633,2198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  32 VAL         MGX   32 VAL          HN  4.00   (#   2128:10  Preassigned   2.58, 4.20 A)
 &rst
  ixpk= 2128, nxpk= 10, iat=  -1, 516, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 522, 523, 524, 526, 527, 528,
 &end
#
# 101 VAL          HN   99 GLY          HN  5.50   (#   2129:10  Preassigned   2.75, 3.62 A)
 &rst
  ixpk= 2129, nxpk= 10, iat=1581,1552, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  79 ILE          HN  102 MET          HN  5.50   (#   2130:10  Preassigned   3.83, 4.08 A)
 &rst
  ixpk= 2130, nxpk= 10, iat=1205,1597, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  42 GLY          HN   65 ALA          HN  5.50   (#   2131:10  Preassigned   2.94, 3.47 A)
 &rst
  ixpk= 2131, nxpk= 10, iat= 646, 956, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 111 CYS          HN  105 GLY          HN  6.00   (#   2132:10  Preassigned   4.25, 5.55 A)
 &rst
  ixpk= 2132, nxpk= 10, iat=1742,1653, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  27 HIS         HE1  143 ASN        HD2-  7.00   (#   2133:10      Unique   4.70, 6.62 A)
 &rst
  ixpk= 2133, nxpk= 10, iat= 439,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=2277,2278,
 &end
#
# 124 PHE          HD  120 SER          HN  6.00   (#   2135:10      Unique   4.91, 7.48 A)
 &rst
  ixpk= 2135, nxpk= 10, iat=  -1,1894, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1966,1974,
 &end
#
#  26 TYR         HB+   26 TYR          HN  4.00   (#   2143:10  Preassigned   2.41, 3.06 A)
 &rst
  ixpk= 2143, nxpk= 10, iat=  -1, 408, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 412, 413,
 &end
#
#  24 GLN          HN   26 TYR          HN  6.00   (#   2144:10      Unique   4.14, 4.28 A)
 &rst
  ixpk= 2144, nxpk= 10, iat= 367, 408, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  35 ALA          HN   34 SER          HN  5.50   (#   2145:10  Preassigned   4.38, 4.47 A)
 &rst
  ixpk= 2145, nxpk= 10, iat= 558, 547, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  33 GLU          HN   34 SER          HN  5.50   (#   2146:10  Preassigned   4.34, 4.38 A)
 &rst
  ixpk= 2146, nxpk= 10, iat= 532, 547, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  63 HIS         HD2   44 GLY          HN  5.500   (#   2147:10  Preassigned   3.46, 6.02 A)
 &rst
  ixpk= 2147, nxpk= 10, iat= 941, 675, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  65 ALA          HN   44 GLY          HN  6.00   (#   2148:10  Preassigned   2.45, 4.57 A)
 &rst
  ixpk= 2148, nxpk= 10, iat= 956, 675, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  43 LYS          HN   44 GLY          HN  5.50   (#   2149:10  Preassigned   2.67, 4.37 A)
 &rst
  ixpk= 2149, nxpk= 10, iat= 653, 675, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  44 GLY         HA-   44 GLY          HN  2.80   (#   2150:10  Preassigned   2.33, 2.68 A)
 &rst
  ixpk= 2150, nxpk= 10, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 677, 678,
 &end
#
#   0 AMB   10-2:2151  136 ARG          HN  5.50   (#   2151:10      Single   Ambig  )
 &rst
  ixpk= 2151, nxpk= 10, iat=  -1,2147, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2094,2095,2178,2179,
 &end
#
# 137 GLN         HG+  136 ARG          HN  5.50   (#   2152:10  Preassigned   4.43, 5.11 A)
 &rst
  ixpk= 2152, nxpk= 10, iat=  -1,2147, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2178,2179,
 &end
#
# 131 LEU         MDY  131 LEU          HN  5.50   (#   2153:10  Preassigned   1.96, 4.11 A)
 &rst
  ixpk= 2153, nxpk= 10, iat=  -1,2068, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2077,2078,2079,2081,2082,2083,
 &end
#
#  41 VAL          HA   65 ALA          HN  6.00   (#   2154:10  Preassigned   3.74, 4.48 A)
 &rst
  ixpk= 2154, nxpk= 10, iat= 632, 956, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  43 LYS         HB-   65 ALA          HN  5.50   (#   2155:10  Preassigned   3.39, 4.60 A)
 &rst
  ixpk= 2155, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 657, 658,
 &end
#
#  43 LYS         HB+   65 ALA          HN  6.00   (#   2156:10      Unique   3.39, 4.60 A)
 &rst
  ixpk= 2156, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 657, 658,
 &end
#
#  80 LEU         MDY  104 PHE          HN  6.00   (#   2158:10  Preassigned   4.50, 6.60 A)
 &rst
  ixpk= 2158, nxpk= 10, iat=  -1,1633, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1233,1234,1235,1237,1238,1239,
 &end
#
#  82 MET          ME  104 PHE          HN  7.00   (#   2159:10  Preassigned   4.66, 6.02 A)
 &rst
  ixpk= 2159, nxpk= 10, iat=  -1,1633, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1268,1269,1270,
 &end
#
# 103 LEU         MDY   82 MET          HN  6.00   (#   2160:10  Preassigned   3.80, 6.72 A)
 &rst
  ixpk= 2160, nxpk= 10, iat=  -1,1257, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
#  82 MET          ME   82 MET          HN  7.00   (#   2161:10  Preassigned   4.40, 5.49 A)
 &rst
  ixpk= 2161, nxpk= 10, iat=  -1,1257, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1268,1269,1270,
 &end
#
#   0 AMB   10-2:2162   82 MET          HN  7.00   (#   2162:10      Single   Ambig  )
 &rst
  ixpk= 2162, nxpk= 10, iat=  -1,1257, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1281,1282,1618,1619,
 &end
#
#  86 HIS         HB+   82 MET          HN  6.00   (#   2163:10  Preassigned   3.44, 4.30 A)
 &rst
  ixpk= 2163, nxpk= 10, iat=  -1,1257, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1339,1340,
 &end
#
# 112 GLU          HA  112 GLU          HN  4.00   (#   2164:10  Preassigned   2.83, 2.90 A)
 &rst
  ixpk= 2164, nxpk= 10, iat=1755,1753, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 114 PRO         HD-  113 ILE          HN  5.50   (#   2167:10  Preassigned   4.66, 5.00 A)
 &rst
  ixpk= 2167, nxpk= 10, iat=  -1,1768, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1788,1789,
 &end
#
# 108 ASP          HA  111 CYS          HN  5.50   (#   2168:10  Preassigned   4.79, 5.10 A)
 &rst
  ixpk= 2168, nxpk= 10, iat=1703,1742, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   10-2:2169  146 GLN          HN  4.00   (#   2169:10      Single   Ambig  )
 &rst
  ixpk= 2169, nxpk= 10, iat=  -1,2307, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=2314,2315,2314,2315,
 &end
#
#  40 LEU          HN   67 GLN          HN  6.00   (#   2175:10  Preassigned   6.71, 6.99 A)
 &rst
  ixpk= 2175, nxpk= 10, iat= 611, 990, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  67 GLN        HE2+   67 GLN          HN  7.00   (#   2176:10  Preassigned   5.47, 6.33 A)
 &rst
  ixpk= 2176, nxpk= 10, iat=  -1, 990, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1002,1003,
 &end
#
#   0 AMB   10-2:2178  126 ALA          HN  3.50   (#   2178:10      Single   Ambig  )
 &rst
  ixpk= 2178, nxpk= 10, iat=  -1,1988, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1946,1931,
 &end
#
#   0 AMB   10-2:2179  126 ALA          HN  3.50   (#   2179:10      Single   Ambig  )
 &rst
  ixpk= 2179, nxpk= 10, iat=  -1,1988, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1990,1980,
 &end
#
#  76 TYR          HD   33 GLU          HN  6.00   (#   2180:10  Preassigned   4.45, 6.30 A)
 &rst
  ixpk= 2180, nxpk= 10, iat=  -1, 532, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1161,1170,
 &end
#
# 106 HIS         HD2  107 TRP          HN  7.00   (#   2181:10  Preassigned   3.69, 4.87 A)
 &rst
  ixpk= 2181, nxpk= 10, iat=1673,1677, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   0 AMB   10-2:2182  107 TRP          HN  7.00   (#   2182:10      Single   Ambig  )
 &rst
  ixpk= 2182, nxpk= 10, iat=  -1,1677, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=2201,1727,
 &end
#
# 107 TRP          HA  109 ASN          HN  5.50   (#   2183:10  Preassigned   3.29, 4.05 A)
 &rst
  ixpk= 2183, nxpk= 10, iat=1679,1713, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   10-2:2184  120 SER          HN  2.80   (#   2184:10      Single   Ambig  )
 &rst
  ixpk= 2184, nxpk= 10, iat=  -1,1894, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1898,1899,1896,
 &end
#
#  67 GLN        HE2+   39 ALA          HN  6.00   (#   2186:10  Preassigned   3.44, 4.56 A)
 &rst
  ixpk= 2186, nxpk= 10, iat=  -1, 601, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1002,1003,
 &end
#
# 133 ARG        HH2+  133 ARG          HN  7.00   (#   2187:10      Unique   3.10, 5.94 A)
 &rst
  ixpk= 2187, nxpk= 10, iat=  -1,2102, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=2121,2122,
 &end
#
# 128 TYR          HE  129 THR          HN  6.00   (#   2188:10  Preassigned   5.19, 6.44 A)
 &rst
  ixpk= 2188, nxpk= 10, iat=  -1,2035, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=2024,2029,
 &end
#
# 131 LEU         MDY  132 GLU          HN  5.50   (#   2190:10  Preassigned   3.41, 5.22 A)
 &rst
  ixpk= 2190, nxpk= 10, iat=  -1,2087, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2077,2078,2079,2081,2082,2083,
 &end
#
#  88 GLU          HN   90 LEU          HN  5.50   (#   2192:10  Preassigned   4.34, 4.50 A)
 &rst
  ixpk= 2192, nxpk= 10, iat=1371,1410, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   10-2:2193   90 LEU          HN  5.50   (#   2193:10      Single   Ambig  )
 &rst
  ixpk= 2193, nxpk= 10, iat=  -1,1410, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1455,1352,
 &end
#
#   7 VAL         MGY   16 SER          HN  6.00   (#   2195:10  Preassigned   4.01, 6.15 A)
 &rst
  ixpk= 2195, nxpk= 10, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 113, 114, 115, 117, 118, 119,
 &end
#
# 143 ASN         HB+  145 GLU          HN  6.00   (#   2196:10  Preassigned   4.61, 5.60 A)
 &rst
  ixpk= 2196, nxpk= 10, iat=  -1,2292, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=2272,2273,
 &end
#
#  63 HIS         HD2   46 ASP          HN  7.00   (#   2197:10  Preassigned   4.44, 5.43 A)
 &rst
  ixpk= 2197, nxpk= 10, iat= 941, 692, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   6 LEU         MDX   73 CYS          HN  6.00   (#   2199:10  Preassigned   5.08, 6.95 A)
 &rst
  ixpk= 2199, nxpk= 10, iat=  -1,1104, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=  97,  98,  99, 101, 102, 103,
 &end
#
#  36 GLY          HN   37 LEU          HN  5.50   (#   2202:10  Preassigned   4.42, 4.47 A)
 &rst
  ixpk= 2202, nxpk= 10, iat= 568, 575, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   3 ASN        HD2-    3 ASN          HN  6.00   (#   2204:10  Preassigned   4.35, 5.19 A)
 &rst
  ixpk= 2204, nxpk= 10, iat=  -1,  41, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=  50,  51,
 &end
#
#  77 ASP          HN    4 ASN        HD2+  5.50   (#   2205:10  Preassigned   3.97, 5.21 A)
 &rst
  ixpk= 2205, nxpk= 10, iat=1174,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  64,  65,
 &end
#
#   4 ASN          HA    4 ASN        HD2+  7.00   (#   2206:10  Preassigned   3.02, 4.56 A)
 &rst
  ixpk= 2206, nxpk= 10, iat=  57,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=  64,  65,
 &end
#
#   4 ASN          HA    4 ASN        HD2-  7.00   (#   2207:10  Preassigned   3.02, 4.56 A)
 &rst
  ixpk= 2207, nxpk= 10, iat=  57,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=  64,  65,
 &end
#
#   0 AMB   10-2:2208   71 ARG          HN  4.00   (#   2208:10      Single   Ambig  )
 &rst
  ixpk= 2208, nxpk= 10, iat=  -1,1061, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1041,1042,1041,1042,
 &end
#
# 137 GLN        HE2-  137 GLN          HN  7.00   (#   2209:10  Preassigned   5.20, 5.78 A)
 &rst
  ixpk= 2209, nxpk= 10, iat=  -1,2171, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=2183,2184,
 &end
#
# 138 TRP          HN  138 TRP         HE1  7.00   (#   2210:10  Preassigned   4.87, 5.35 A)
 &rst
  ixpk= 2210, nxpk= 10, iat=2188,2198, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  18 THR          HN   16 SER          HN  6.00   (#   2211:10  Preassigned   4.53, 4.81 A)
 &rst
  ixpk= 2211, nxpk= 10, iat= 266, 241, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   0 AMB   10-2:2212   16 SER          HN  7.00   (#   2212:10      Single   Ambig  )
 &rst
  ixpk= 2212, nxpk= 10, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1261,1262,1261,1262,
 &end
#
#   0 AMB   10-2:2213   64 CYS          HN  5.50   (#   2213:10      Single   Ambig  )
 &rst
  ixpk= 2213, nxpk= 10, iat=  -1, 945, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 938, 928,
 &end
#
# 109 ASN          HN  107 TRP          HN  5.50   (#   2214:10  Preassigned   4.33, 4.96 A)
 &rst
  ixpk= 2214, nxpk= 10, iat=1713,1677, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   10-2:2215   86 HIS          HN  7.00   (#   2215:10      Single   Ambig  )
 &rst
  ixpk= 2215, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1257,1429,
 &end
#
# 104 PHE          HZ   22 LEU          HN  6.00   (#   2218:10  Preassigned   6.28, 6.92 A)
 &rst
  ixpk= 2218, nxpk= 10, iat=1645, 329, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  22 LEU          HN   23 LEU          HN  2.80   (#   2220:10  Preassigned   2.61, 2.69 A)
 &rst
  ixpk= 2220, nxpk= 10, iat= 329, 348, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   0 AMB   10-2:2221   24 GLN          HN  5.50   (#   2221:10      Single   Ambig  )
 &rst
  ixpk= 2221, nxpk= 10, iat=  -1, 367, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 379, 380, 379, 380,
 &end
#
#  26 TYR          HD   25 ARG          HN  5.50   (#   2222:10  Preassigned   4.67, 5.90 A)
 &rst
  ixpk= 2222, nxpk= 10, iat=  -1, 384, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 416, 425,
 &end
#
#  85 ARG          HN   88 GLU          HN  6.00   (#   2223:10  Preassigned   4.71, 4.81 A)
 &rst
  ixpk= 2223, nxpk= 10, iat=1311,1371, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   5 ILE          HN   32 VAL          HN  6.00   (#   2224:10  Preassigned   4.50, 4.78 A)
 &rst
  ixpk= 2224, nxpk= 10, iat=  69, 516, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   0 AMB   10-2:2225   33 GLU          HN  7.00   (#   2225:10      Single   Ambig  )
 &rst
  ixpk= 2225, nxpk= 10, iat=  -1, 532, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 549,  57,
 &end
#
#  66 ARG          HE   34 SER          HN  5.50   (#   2226:10  Preassigned   3.38, 4.44 A)
 &rst
  ixpk= 2226, nxpk= 10, iat= 979, 547, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  63 HIS         HE1   34 SER          HN  7.00   (#   2227:10  Preassigned   2.52, 4.89 A)
 &rst
  ixpk= 2227, nxpk= 10, iat= 938, 547, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  66 ARG          HN   66 ARG          HE  7.00   (#   2228:10  Preassigned   3.11, 4.75 A)
 &rst
  ixpk= 2228, nxpk= 10, iat= 966, 979, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  67 GLN        HE2-   38 GLY          HN  6.00   (#   2229:10  Preassigned   4.30, 5.62 A)
 &rst
  ixpk= 2229, nxpk= 10, iat=  -1, 594, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1002,1003,
 &end
#
#  41 VAL          HN   43 LYS          HN  6.00   (#   2230:10  Preassigned   4.69, 4.75 A)
 &rst
  ixpk= 2230, nxpk= 10, iat= 630, 653, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  51 SER          HN   49 ALA          HN  5.50   (#   2231:10  Preassigned   3.97, 4.11 A)
 &rst
  ixpk= 2231, nxpk= 10, iat= 761, 732, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  50 ILE          HN   52 VAL          HN  5.50   (#   2232:10  Preassigned   4.47, 4.58 A)
 &rst
  ixpk= 2232, nxpk= 10, iat= 742, 772, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   10-2:2233   52 VAL          HN  5.50   (#   2233:10      Single   Ambig  )
 &rst
  ixpk= 2233, nxpk= 10, iat=  -1, 772, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1966,1974,1968,1972,
 &end
#
# 128 TYR          HE   53 ALA          HN  5.50   (#   2234:10  Preassigned   3.66, 6.21 A)
 &rst
  ixpk= 2234, nxpk= 10, iat=  -1, 788, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2024,2029,
 &end
#
# 128 TYR          HD   53 ALA          HN  6.00   (#   2235:10  Preassigned   4.08, 6.05 A)
 &rst
  ixpk= 2235, nxpk= 10, iat=  -1, 788, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=2022,2031,
 &end
#
# 128 TYR          HE   56 HIS          HN  6.00   (#   2236:10  Preassigned   4.76, 5.93 A)
 &rst
  ixpk= 2236, nxpk= 10, iat=  -1, 823, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=2024,2029,
 &end
#
#  57 GLN          HN   57 GLN        HE2-  5.50   (#   2237:10  Preassigned   2.33, 3.42 A)
 &rst
  ixpk= 2237, nxpk= 10, iat= 840,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 852, 853,
 &end
#
#  58 LEU          HN   59 SER          HN  5.50   (#   2238:10      Unique   2.50, 3.54 A)
 &rst
  ixpk= 2238, nxpk= 10, iat= 857, 876, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  60 LEU          HN   59 SER          HN  5.50   (#   2239:10  Preassigned   2.92, 4.24 A)
 &rst
  ixpk= 2239, nxpk= 10, iat= 887, 876, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  76 TYR          HE   72 LEU          HN  7.00   (#   2240:10  Preassigned   5.31, 7.86 A)
 &rst
  ixpk= 2240, nxpk= 10, iat=  -1,1085, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1163,1168,
 &end
#
#  71 ARG          HN   73 CYS          HN  5.50   (#   2241:10  Preassigned   4.09, 4.18 A)
 &rst
  ixpk= 2241, nxpk= 10, iat=1061,1104, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   10-2:2242   76 TYR          HN  7.00   (#   2242:10      Single   Ambig  )
 &rst
  ixpk= 2242, nxpk= 10, iat=  -1,1153, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=  64,  65,1104,
 &end
#
#   4 ASN        HD2+   77 ASP          HN  6.00   (#   2243:10  Preassigned   3.97, 5.21 A)
 &rst
  ixpk= 2243, nxpk= 10, iat=  -1,1174, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=  64,  65,
 &end
#
#  80 LEU          HA   79 ILE          HN  6.00   (#   2244:10  Preassigned   4.19, 4.68 A)
 &rst
  ixpk= 2244, nxpk= 10, iat=1226,1205, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   6 LEU          HN   79 ILE          HN  6.00   (#   2245:10  Preassigned   4.72, 4.79 A)
 &rst
  ixpk= 2245, nxpk= 10, iat=  88,1205, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  86 HIS         HD1   83 GLU          HN  6.00   (#   2246:10  Preassigned   3.58, 5.18 A)
 &rst
  ixpk= 2246, nxpk= 10, iat=1343,1274, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  85 ARG          HN   87 ILE          HN  5.50   (#   2247:10  Preassigned   4.11, 4.23 A)
 &rst
  ixpk= 2247, nxpk= 10, iat=1311,1352, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  87 ILE          HN   85 ARG          HN  5.50   (#   2248:10  Preassigned   4.11, 4.23 A)
 &rst
  ixpk= 2248, nxpk= 10, iat=1352,1311, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  86 HIS          HN   88 GLU          HN  4.00   (#   2249:10  Preassigned   3.75, 4.00 A)
 &rst
  ixpk= 2249, nxpk= 10, iat=1335,1371, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  86 HIS         HD1   89 ARG          HN  5.50   (#   2251:10  Preassigned   4.87, 5.30 A)
 &rst
  ixpk= 2251, nxpk= 10, iat=1343,1386, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 107 TRP         HD1  137 GLN          HN  6.00   (#   2256:10  Preassigned   4.83, 5.37 A)
 &rst
  ixpk= 2256, nxpk= 10, iat=1685,2171, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  96 GLU          HN   94 ALA          HN  6.00   (#   2257:10  Preassigned   5.12, 5.31 A)
 &rst
  ixpk= 2257, nxpk= 10, iat=1496,1472, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 128 TYR          HN  125 ALA          HN  6.00   (#   2260:10  Preassigned   4.54, 4.61 A)
 &rst
  ixpk= 2260, nxpk= 10, iat=2014,1978, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   0 AMB   10-2:2261   80 LEU          HN  7.00   (#   2261:10      Single   Ambig  )
 &rst
  ixpk= 2261, nxpk= 10, iat=  -1,1224, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1641,1649,1645,
 &end
#
#   0 AMB   10-2:2262  103 LEU          HN  7.00   (#   2262:10      Single   Ambig  )
 &rst
  ixpk= 2262, nxpk= 10, iat=  -1,1614, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1226,1685,
 &end
#
# 138 TRP         HE1  105 GLY          HN  6.00   (#   2264:10  Preassigned   4.51, 4.91 A)
 &rst
  ixpk= 2264, nxpk= 10, iat=2198,1653, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 105 GLY         HA+  107 TRP          HN  5.50   (#   2265:10  Preassigned   3.24, 4.14 A)
 &rst
  ixpk= 2265, nxpk= 10, iat=  -1,1677, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1655,1656,
 &end
#
# 109 ASN          HN  108 ASP          HN  5.50   (#   2266:10  Preassigned   2.41, 2.81 A)
 &rst
  ixpk= 2266, nxpk= 10, iat=1713,1701, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 107 TRP          HN  110 GLU          HN  6.00   (#   2267:10  Preassigned   4.38, 4.64 A)
 &rst
  ixpk= 2267, nxpk= 10, iat=1677,1727, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  76 TYR          HE   75 ASN        HD2+  5.50   (#   2268:10  Preassigned   2.60, 4.57 A)
 &rst
  ixpk= 2268, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1163,1168,
 igr2=1148,1149,
 &end
#
# 107 TRP          HN  109 ASN          HN  6.00   (#   2269:10  Preassigned   4.33, 4.96 A)
 &rst
  ixpk= 2269, nxpk= 10, iat=1677,1713, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 110 GLU          HN  111 CYS          HN  4.00   (#   2270:10  Preassigned   2.65, 2.76 A)
 &rst
  ixpk= 2270, nxpk= 10, iat=1727,1742, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  83 GLU          HN  113 ILE          HN  6.00   (#   2271:10  Preassigned   5.01, 5.18 A)
 &rst
  ixpk= 2271, nxpk= 10, iat=1274,1768, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 118 ARG          HN  119 LYS          HN  2.80   (#   2272:10  Preassigned   2.24, 2.66 A)
 &rst
  ixpk= 2272, nxpk= 10, iat=1848,1872, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
# 122 GLU          HN  120 SER          HN  6.00   (#   2273:10  Preassigned   5.06, 5.32 A)
 &rst
  ixpk= 2273, nxpk= 10, iat=1929,1894, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 121 ARG          HN  123 THR          HN  5.50   (#   2274:10  Preassigned   4.22, 4.43 A)
 &rst
  ixpk= 2274, nxpk= 10, iat=1905,1944, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 124 PHE          HD  123 THR          HN  6.00   (#   2275:10  Preassigned   4.35, 6.36 A)
 &rst
  ixpk= 2275, nxpk= 10, iat=  -1,1944, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1966,1974,
 &end
#
# 124 PHE          HD  127 VAL          HN  6.00   (#   2276:10  Preassigned   5.25, 6.53 A)
 &rst
  ixpk= 2276, nxpk= 10, iat=  -1,1998, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1966,1974,
 &end
#
# 131 LEU          HN  127 VAL          HN  6.00   (#   2277:10  Preassigned   5.92, 6.08 A)
 &rst
  ixpk= 2277, nxpk= 10, iat=2068,1998, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   0 AMB   10-2:2279    0 AMB   10-1:2279  5.50   (#   2279:10      Double   Ambig  )
 &rst
  ixpk= 2279, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2068, 876,
 igr2=2014, 798,
 &end
#
# 129 THR          HN  131 LEU          HN  6.00   (#   2280:10  Preassigned   4.28, 4.52 A)
 &rst
  ixpk= 2280, nxpk= 10, iat=2035,2068, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 130 LEU          HN  133 ARG          HN  6.00   (#   2281:10  Preassigned   4.65, 4.77 A)
 &rst
  ixpk= 2281, nxpk= 10, iat=2049,2102, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 138 TRP          HN  134 SER          HN  6.00   (#   2284:10  Preassigned   5.89, 5.98 A)
 &rst
  ixpk= 2284, nxpk= 10, iat=2188,2126, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   0 AMB   10-2:2286  136 ARG          HN  7.00   (#   2286:10      Single   Ambig  )
 &rst
  ixpk= 2286, nxpk= 10, iat=  -1,2147, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1643,1647, 408,
 &end
#
# 135 ALA          HN  137 GLN          HN  5.50   (#   2290:10  Preassigned   3.71, 3.83 A)
 &rst
  ixpk= 2290, nxpk= 10, iat=2137,2171, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 139 ALA          HN  137 GLN          HN  6.00   (#   2291:10  Preassigned   3.91, 4.07 A)
 &rst
  ixpk= 2291, nxpk= 10, iat=2212,2171, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 134 SER          HN  137 GLN          HN  5.50   (#   2292:10  Preassigned   4.54, 4.62 A)
 &rst
  ixpk= 2292, nxpk= 10, iat=2126,2171, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 108 ASP          HN  137 GLN        HE2+  6.00   (#   2295:10  Preassigned   4.84, 6.11 A)
 &rst
  ixpk= 2295, nxpk= 10, iat=1701,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=2183,2184,
 &end
#
# 133 ARG          HE  137 GLN        HE2+  5.50   (#   2296:10  Preassigned   2.56, 4.66 A)
 &rst
  ixpk= 2296, nxpk= 10, iat=2115,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2183,2184,
 &end
#
#   0 AMB   10-2:2297  138 TRP          HN  7.00   (#   2297:10      Single   Ambig  )
 &rst
  ixpk= 2297, nxpk= 10, iat=  -1,2188, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1645,2205,
 &end
#
# 137 GLN          HN  139 ALA          HN  5.50   (#   2298:10  Preassigned   3.91, 4.07 A)
 &rst
  ixpk= 2298, nxpk= 10, iat=2171,2212, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 141 ALA          HN  139 ALA          HN  5.50   (#   2299:10  Preassigned   4.12, 4.23 A)
 &rst
  ixpk= 2299, nxpk= 10, iat=2239,2212, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 140 GLN        HE2+  141 ALA          HN  7.00   (#   2302:10  Preassigned   4.51, 6.37 A)
 &rst
  ixpk= 2302, nxpk= 10, iat=  -1,2239, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=2234,2235,
 &end
#
#  27 HIS         HE1  143 ASN          HN  6.00   (#   2305:10      Unique   3.59, 4.48 A)
 &rst
  ixpk= 2305, nxpk= 10, iat= 439,2268, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  27 HIS         HE1  143 ASN        HD2+  6.00   (#   2306:10      Unique   4.70, 6.62 A)
 &rst
  ixpk= 2306, nxpk= 10, iat= 439,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=2277,2278,
 &end
#
# 140 GLN        HE2-  144 ALA          HN  6.00   (#   2308:10  Preassigned   3.13, 7.06 A)
 &rst
  ixpk= 2308, nxpk= 10, iat=  -1,2282, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=2234,2235,
 &end
#
#  48 THR         MG2  121 ARG          HE  6.00   (#   2309:10  Preassigned   3.00, 5.46 A)
 &rst
  ixpk= 2309, nxpk= 10, iat=  -1,1918, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 724, 725, 726,
 &end
#
#  52 VAL         MGY  121 ARG          HE  5.50   (#   2310:10  Preassigned   2.43, 6.10 A)
 &rst
  ixpk= 2310, nxpk= 10, iat=  -1,1918, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 778, 779, 780, 782, 783, 784,
 &end
#
# 121 ARG         HB-  121 ARG          HE  7.00   (#   2311:10  Preassigned   2.20, 4.00 A)
 &rst
  ixpk= 2311, nxpk= 10, iat=  -1,1918, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1909,1910,
 &end
#
# 109 ASN          HA  109 ASN        HD2-  5.50   (#   2315:10  Preassigned   2.26, 4.04 A)
 &rst
  ixpk= 2315, nxpk= 10, iat=1715,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1722,1723,
 &end
#
# 137 GLN        HE2+  133 ARG          HE  5.50   (#   2317:10  Preassigned   2.56, 4.66 A)
 &rst
  ixpk= 2317, nxpk= 10, iat=  -1,2115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2183,2184,
 &end
#
# 137 GLN        HE2-  133 ARG          HE  7.00   (#   2318:10  Preassigned   2.56, 4.66 A)
 &rst
  ixpk= 2318, nxpk= 10, iat=  -1,2115, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=2183,2184,
 &end
#
#  60 LEU          HA   21 ARG          HN  6.00   (#   2319:10  Preassigned   5.09, 6.25 A)
 &rst
  ixpk= 2319, nxpk= 10, iat= 889, 305, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 107 TRP         HE1  138 TRP          HN  6.00   (#   2321:10  Preassigned   3.14, 4.18 A)
 &rst
  ixpk= 2321, nxpk= 10, iat=1687,2188, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  30 LEU         MDY    3 ASN        HD2-  6.00   (#   2322:10  Preassigned   2.63, 7.28 A)
 &rst
  ixpk= 2322, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 484, 485, 486, 488, 489, 490,
 igr2=  50,  51,
 &end
#
#   1 MET         HB+    3 ASN        HD2-  6.00   (#   2323:10  Preassigned   4.60, 7.22 A)
 &rst
  ixpk= 2323, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=   8,   9,
 igr2=  50,  51,
 &end
#
#   1 MET         HB+    3 ASN        HD2+  6.00   (#   2327:10  Preassigned   4.60, 7.22 A)
 &rst
  ixpk= 2327, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=   8,   9,
 igr2=  50,  51,
 &end
#
#   3 ASN          HA    3 ASN        HD2-  5.50   (#   2329:10  Preassigned   2.39, 3.26 A)
 &rst
  ixpk= 2329, nxpk= 10, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  50,  51,
 &end
#
#   5 ILE         QD1    2 PHE          HN  5.50   (#   2330:10  Preassigned   4.11, 5.97 A)
 &rst
  ixpk= 2330, nxpk= 10, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  82,  83,  84,
 &end
#
#   1 MET         HG+    2 PHE          HN  6.00   (#   2331:10  Preassigned   2.29, 3.67 A)
 &rst
  ixpk= 2331, nxpk= 10, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=  11,  12,
 &end
#
# 107 TRP         HB-  138 TRP          HN  5.50   (#   2333:10  Preassigned   4.04, 5.41 A)
 &rst
  ixpk= 2333, nxpk= 10, iat=  -1,2188, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1681,1682,
 &end
#
# 136 ARG         HB+  138 TRP          HN  6.00   (#   2334:10  Preassigned   5.15, 5.73 A)
 &rst
  ixpk= 2334, nxpk= 10, iat=  -1,2188, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=2151,2152,
 &end
#
# 106 HIS          HA  138 TRP         HE1  6.00   (#   2335:10  Preassigned   5.16, 6.16 A)
 &rst
  ixpk= 2335, nxpk= 10, iat=1662,2198, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 107 TRP         HZ2  138 TRP         HE1  6.00   (#   2337:10  Preassigned   5.13, 6.19 A)
 &rst
  ixpk= 2337, nxpk= 10, iat=1690,2198, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  80 LEU         HB+  138 TRP         HE1  6.00   (#   2338:10  Preassigned   3.52, 4.98 A)
 &rst
  ixpk= 2338, nxpk= 10, iat=  -1,2198, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1228,1229,
 &end
#
# 138 TRP         HE1  138 TRP          HN  7.00   (#   2339:10  Preassigned   4.87, 5.35 A)
 &rst
  ixpk= 2339, nxpk= 10, iat=2198,2188, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
# 135 ALA          HN  138 TRP          HN  6.00   (#   2340:10  Preassigned   4.47, 4.59 A)
 &rst
  ixpk= 2340, nxpk= 10, iat=2137,2188, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   0 AMB   10-2:2341  109 ASN          HN  7.00   (#   2341:10      Single   Ambig  )
 &rst
  ixpk= 2341, nxpk= 10, iat=  -1,1713, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1731,1732,1731,1732,
 &end
#
# 110 GLU         HG-  109 ASN          HN  6.00   (#   2342:10  Preassigned   4.77, 6.46 A)
 &rst
  ixpk= 2342, nxpk= 10, iat=  -1,1713, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1734,1735,
 &end
#
#  90 LEU         MDX   93 MET          HN  6.00   (#   2343:10  Preassigned   4.64, 6.82 A)
 &rst
  ixpk= 2343, nxpk= 10, iat=  -1,1455, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1419,1420,1421,1423,1424,1425,
 &end
#
#  90 LEU         MDY   93 MET          HN  6.00   (#   2344:10  Preassigned   4.64, 6.82 A)
 &rst
  ixpk= 2344, nxpk= 10, iat=  -1,1455, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1419,1420,1421,1423,1424,1425,
 &end
#
#   0 AMB   10-2:2345   93 MET          HN  2.80   (#   2345:10      Single   Ambig  )
 &rst
  ixpk= 2345, nxpk= 10, iat=  -1,1455, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1459,1460,1444,1445,
 &end
#
#  93 MET         HB+   93 MET          HN  4.00   (#   2346:10  Preassigned   2.34, 3.02 A)
 &rst
  ixpk= 2346, nxpk= 10, iat=  -1,1455, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1459,1460,
 &end
#
# 108 ASP         HB-  111 CYS          HN  5.50   (#   2347:10  Preassigned   2.90, 4.31 A)
 &rst
  ixpk= 2347, nxpk= 10, iat=  -1,1742, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1705,1706,
 &end
#
#   0 AMB   10-2:2348   56 HIS          HN  5.50   (#   2348:10      Single   Ambig  )
 &rst
  ixpk= 2348, nxpk= 10, iat=  -1, 823, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 847, 848, 844, 845,
 &end
#
#   0 AMB   10-2:2349    4 ASN          HN  7.00   (#   2349:10      Single   Ambig  )
 &rst
  ixpk= 2349, nxpk= 10, iat=  -1,  55, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=  79,  80, 501, 502,
 &end
#
#   5 ILE          HB    4 ASN          HN  6.00   (#   2350:10  Preassigned   4.53, 5.79 A)
 &rst
  ixpk= 2350, nxpk= 10, iat=  73,  55, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  53 ALA          MB   56 HIS          HN  5.50   (#   2351:10  Preassigned   4.86, 5.42 A)
 &rst
  ixpk= 2351, nxpk= 10, iat=  -1, 823, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 792, 793, 794,
 &end
#
#   0 AMB   10-2:2352  136 ARG          HE  5.50   (#   2352:10      Single   Ambig  )
 &rst
  ixpk= 2352, nxpk= 10, iat=  -1,2160, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2157,2158,2157,2158,
 &end
#
#  24 GLN          HN   27 HIS          HN  5.50   (#   2353:10  Preassigned   4.62, 4.76 A)
 &rst
  ixpk= 2353, nxpk= 10, iat= 367, 429, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   8 VAL         MGY    8 VAL          HN  2.80   (#   2354:10  Preassigned   2.50, 4.16 A)
 &rst
  ixpk= 2354, nxpk= 10, iat=  -1, 123, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 129, 130, 131, 133, 134, 135,
 &end
#
#   0 AMB   10-2:2355   35 ALA          HN  5.50   (#   2355:10      Single   Ambig  )
 &rst
  ixpk= 2355, nxpk= 10, iat=  -1, 558, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1= 129, 130, 131, 133, 134, 135,  95,
 &end
#
#  17 PRO         HD+   19 ALA          HN  5.50   (#   2357:10  Preassigned   4.40, 5.10 A)
 &rst
  ixpk= 2357, nxpk= 10, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 253, 254,
 &end
#
#   0 AMB   10-2:2358   20 GLU          HN  7.00   (#   2358:10      Single   Ambig  )
 &rst
  ixpk= 2358, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 315, 316, 253, 254,
 &end
#
#  22 LEU         MDY   21 ARG          HN  6.00   (#   2359:10  Preassigned   4.84, 6.81 A)
 &rst
  ixpk= 2359, nxpk= 10, iat=  -1, 305, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   0 AMB   10-2:2360   21 ARG          HN  7.00   (#   2360:10      Single   Ambig  )
 &rst
  ixpk= 2360, nxpk= 10, iat=  -1, 305, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 243, 245, 246,
 &end
#
#  21 ARG         HD-   22 LEU          HN  7.00   (#   2363:10  Preassigned   5.06, 5.71 A)
 &rst
  ixpk= 2363, nxpk= 10, iat=  -1, 329, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 315, 316,
 &end
#
#  20 GLU          HA   24 GLN          HN  5.50   (#   2364:10  Preassigned   3.83, 3.98 A)
 &rst
  ixpk= 2364, nxpk= 10, iat= 292, 367, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  22 LEU          HA   24 GLN          HN  5.50   (#   2365:10  Preassigned   4.36, 4.49 A)
 &rst
  ixpk= 2365, nxpk= 10, iat= 331, 367, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   10-2:2366   21 ARG          HE  7.00   (#   2366:10      Single   Ambig  )
 &rst
  ixpk= 2366, nxpk= 10, iat=  -1, 318, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 880, 881, 880, 881,
 &end
#
#   0 AMB   10-2:2367   26 TYR          HN  7.00   (#   2367:10      Single   Ambig  )
 &rst
  ixpk= 2367, nxpk= 10, iat=  -1, 408, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 447, 448,2149,
 &end
#
#  30 LEU         HB+   27 HIS          HN  5.50   (#   2370:10  Preassigned   4.70, 5.89 A)
 &rst
  ixpk= 2370, nxpk= 10, iat=  -1, 429, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 479, 480,
 &end
#
#  28 PRO         HD+   29 GLU          HN  5.50   (#   2371:10  Preassigned   2.81, 3.53 A)
 &rst
  ixpk= 2371, nxpk= 10, iat=  -1, 460, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 447, 448,
 &end
#
#   0 AMB   10-2:2372   33 GLU          HN  5.50   (#   2372:10      Single   Ambig  )
 &rst
  ixpk= 2372, nxpk= 10, iat=  -1, 532, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 113, 114, 115, 117, 118, 119,  75,  76,  77,
 &end
#
#   5 ILE         QG2   32 VAL          HN  6.00   (#   2373:10  Preassigned   6.18, 6.96 A)
 &rst
  ixpk= 2373, nxpk= 10, iat=  -1, 516, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=  75,  76,  77,
 &end
#
#   0 AMB   10-2:2374   35 ALA          HN  5.50   (#   2374:10      Single   Ambig  )
 &rst
  ixpk= 2374, nxpk= 10, iat=  -1, 558, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 111, 973, 974,
 &end
#
#  68 ILE          HB   36 GLY          HN  5.50   (#   2375:10  Preassigned   3.62, 4.12 A)
 &rst
  ixpk= 2375, nxpk= 10, iat=1011, 568, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  67 GLN          HA   38 GLY          HN  6.00   (#   2378:10  Preassigned   4.90, 5.38 A)
 &rst
  ixpk= 2378, nxpk= 10, iat= 992, 594, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  64 CYS          HA   44 GLY          HN  5.50   (#   2380:10  Preassigned   3.55, 4.87 A)
 &rst
  ixpk= 2380, nxpk= 10, iat= 947, 675, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  60 LEU         HB+   50 ILE          HN  6.00   (#   2381:10  Preassigned   4.71, 5.60 A)
 &rst
  ixpk= 2381, nxpk= 10, iat=  -1, 742, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 891, 892,
 &end
#
#  47 PRO         HB+   50 ILE          HN  6.00   (#   2383:10  Preassigned   5.25, 5.46 A)
 &rst
  ixpk= 2383, nxpk= 10, iat=  -1, 742, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 711, 712,
 &end
#
#  51 SER          HA   53 ALA          HN  5.50   (#   2384:10  Preassigned   4.58, 4.87 A)
 &rst
  ixpk= 2384, nxpk= 10, iat= 763, 788, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  49 ALA          MB   53 ALA          HN  5.50   (#   2385:10  Preassigned   4.38, 5.25 A)
 &rst
  ixpk= 2385, nxpk= 10, iat=  -1, 788, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 736, 737, 738,
 &end
#
#  50 ILE          HB   53 ALA          HN  5.50   (#   2386:10  Preassigned   5.85, 5.97 A)
 &rst
  ixpk= 2386, nxpk= 10, iat= 746, 788, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  60 LEU         MDY   53 ALA          HN  5.50   (#   2387:10  Preassigned   3.62, 5.69 A)
 &rst
  ixpk= 2387, nxpk= 10, iat=  -1, 788, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 896, 897, 898, 900, 901, 902,
 &end
#
#  56 HIS         HB+   55 GLU          HN  5.50   (#   2388:10  Preassigned   4.73, 5.57 A)
 &rst
  ixpk= 2388, nxpk= 10, iat=  -1, 808, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 827, 828,
 &end
#
#  51 SER          HA   55 GLU          HN  5.50   (#   2389:10  Preassigned   4.03, 4.25 A)
 &rst
  ixpk= 2389, nxpk= 10, iat= 763, 808, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  58 LEU         MDX   56 HIS          HN  6.00   (#   2390:10  Preassigned   4.40, 7.81 A)
 &rst
  ixpk= 2390, nxpk= 10, iat=  -1, 823, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
#  51 SER          HA   56 HIS          HN  7.00   (#   2391:10  Preassigned   6.63, 6.82 A)
 &rst
  ixpk= 2391, nxpk= 10, iat= 763, 823, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  58 LEU         HB-   57 GLN          HN  6.00   (#   2392:10  Preassigned   4.66, 5.14 A)
 &rst
  ixpk= 2392, nxpk= 10, iat=  -1, 840, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 861, 862,
 &end
#
#  63 HIS          HA   62 GLY          HN  5.50   (#   2393:10  Preassigned   4.29, 5.10 A)
 &rst
  ixpk= 2393, nxpk= 10, iat= 930, 921, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  44 GLY         HA+   65 ALA          HN  5.50   (#   2394:10  Preassigned   3.01, 4.30 A)
 &rst
  ixpk= 2394, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 677, 678,
 &end
#
#   0 AMB   10-2:2395   68 ILE          HN  7.00   (#   2395:10      Single   Ambig  )
 &rst
  ixpk= 2395, nxpk= 10, iat=  -1,1007, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 973, 974, 970, 971,
 &end
#
#  67 GLN         HB-   68 ILE          HN  7.00   (#   2396:10  Preassigned   3.03, 4.17 A)
 &rst
  ixpk= 2396, nxpk= 10, iat=  -1,1007, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 994, 995,
 &end
#
#  67 GLN          HA   69 SER          HN  6.00   (#   2397:10  Preassigned   6.08, 6.31 A)
 &rst
  ixpk= 2397, nxpk= 10, iat= 992,1026, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  64 CYS         HB-   63 HIS          HN  6.00   (#   2399:10  Preassigned   4.57, 6.06 A)
 &rst
  ixpk= 2399, nxpk= 10, iat=  -1, 928, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 949, 950,
 &end
#
#   0 AMB   10-2:2400   73 CYS          HN  5.50   (#   2400:10      Single   Ambig  )
 &rst
  ixpk= 2400, nxpk= 10, iat=  -1,1104, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1044,1045,1068,1069,
 &end
#
#  94 ALA          MB   74 ARG          HN  6.00   (#   2401:10  Preassigned   4.39, 5.96 A)
 &rst
  ixpk= 2401, nxpk= 10, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=1476,1477,1478,
 &end
#
#  70 ARG          HA   74 ARG          HN  6.00   (#   2402:10  Preassigned   3.74, 4.04 A)
 &rst
  ixpk= 2402, nxpk= 10, iat=1039,1115, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  72 LEU          HA   74 ARG          HN  5.50   (#   2403:10  Preassigned   4.10, 4.32 A)
 &rst
  ixpk= 2403, nxpk= 10, iat=1087,1115, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  72 LEU         MDX   75 ASN        HD2+  7.00   (#   2404:10  Preassigned   3.85, 7.31 A)
 &rst
  ixpk= 2404, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1094,1095,1096,1098,1099,1100,
 igr2=1148,1149,
 &end
#
#  72 LEU         HB+   76 TYR          HN  5.50   (#   2405:10  Preassigned   4.64, 5.55 A)
 &rst
  ixpk= 2405, nxpk= 10, iat=  -1,1153, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1089,1090,
 &end
#
#  86 HIS          HA   83 GLU          HN  6.00   (#   2409:10  Preassigned   5.35, 5.71 A)
 &rst
  ixpk= 2409, nxpk= 10, iat=1337,1274, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   0 AMB   10-2:2410   84 LYS          HN  7.00   (#   2410:10      Single   Ambig  )
 &rst
  ixpk= 2410, nxpk= 10, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1302,1303,1302,1303,
 &end
#
#  85 ARG         HD-   85 ARG          HN  5.50   (#   2411:10  Preassigned   3.21, 4.41 A)
 &rst
  ixpk= 2411, nxpk= 10, iat=  -1,1311, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1321,1322,
 &end
#
#  84 LYS         HD-   85 ARG          HN  5.50   (#   2412:10  Preassigned   4.25, 5.55 A)
 &rst
  ixpk= 2412, nxpk= 10, iat=  -1,1311, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1299,1300,
 &end
#
# 103 LEU         MDY   85 ARG          HN  6.00   (#   2413:10  Preassigned   5.20, 6.87 A)
 &rst
  ixpk= 2413, nxpk= 10, iat=  -1,1311, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
#  83 GLU          HA   86 HIS          HN  5.50   (#   2414:10  Preassigned   4.35, 4.65 A)
 &rst
  ixpk= 2414, nxpk= 10, iat=1276,1335, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  83 GLU         HB-   87 ILE          HN  6.00   (#   2416:10  Preassigned   4.56, 5.50 A)
 &rst
  ixpk= 2416, nxpk= 10, iat=  -1,1352, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1278,1279,
 &end
#
#  89 ARG          HA   91 CYS          HN  5.50   (#   2418:10  Preassigned   4.18, 4.45 A)
 &rst
  ixpk= 2418, nxpk= 10, iat=1388,1429, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  92 GLU          HA   91 CYS          HN  5.50   (#   2419:10  Preassigned   5.28, 5.33 A)
 &rst
  ixpk= 2419, nxpk= 10, iat=1442,1429, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  92 GLU         HB-   91 CYS          HN  5.50   (#   2420:10  Preassigned   4.71, 5.12 A)
 &rst
  ixpk= 2420, nxpk= 10, iat=  -1,1429, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1444,1445,
 &end
#
#  91 CYS         HB+   93 MET          HN  5.50   (#   2424:10  Preassigned   5.01, 5.52 A)
 &rst
  ixpk= 2424, nxpk= 10, iat=  -1,1455, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1433,1434,
 &end
#
#   0 AMB   10-2:2425   93 MET          HN  4.00   (#   2425:10      Single   Ambig  )
 &rst
  ixpk= 2425, nxpk= 10, iat=  -1,1455, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1457,1388,
 &end
#
#  91 CYS         HB+   94 ALA          HN  6.00   (#   2426:10  Preassigned   4.91, 5.39 A)
 &rst
  ixpk= 2426, nxpk= 10, iat=  -1,1472, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1433,1434,
 &end
#
#   0 AMB   10-2:2427   94 ALA          HN  7.00   (#   2427:10      Single   Ambig  )
 &rst
  ixpk= 2427, nxpk= 10, iat=  -1,1472, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1417,1044,1045,
 &end
#
#   0 AMB   10-2:2428   96 GLU          HN  7.00   (#   2428:10      Single   Ambig  )
 &rst
  ixpk= 2428, nxpk= 10, iat=  -1,1496, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1535,1536,1044,1045,
 &end
#
#  91 CYS          HA   97 MET          HN  6.00   (#   2429:10      Unique   4.28, 4.91 A)
 &rst
  ixpk= 2429, nxpk= 10, iat=1431,1511, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  97 MET         HG-   98 ARG          HN  6.00   (#   2430:10  Preassigned   3.96, 5.17 A)
 &rst
  ixpk= 2430, nxpk= 10, iat=  -1,1528, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1518,1519,
 &end
#
# 131 LEU         MDX  130 LEU          HN  6.00   (#   2431:10  Preassigned   4.18, 6.41 A)
 &rst
  ixpk= 2431, nxpk= 10, iat=  -1,2049, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=2077,2078,2079,2081,2082,2083,
 &end
#
# 102 MET          HA  101 VAL          HN  6.00   (#   2432:10  Preassigned   4.61, 5.21 A)
 &rst
  ixpk= 2432, nxpk= 10, iat=1599,1581, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  91 CYS          HA  101 VAL          HN  6.00   (#   2433:10  Preassigned   5.98, 6.49 A)
 &rst
  ixpk= 2433, nxpk= 10, iat=1431,1581, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   0 AMB   10-2:2434  101 VAL          HN  4.00   (#   2434:10      Single   Ambig  )
 &rst
  ixpk= 2434, nxpk= 10, iat=  -1,1581, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1587,1588,1589,1591,1592,1593,1587,1588,1589,1591,
      1592,1593,
 &end
#
# 104 PHE          HA  103 LEU          HN  6.00   (#   2435:10  Preassigned   4.98, 5.30 A)
 &rst
  ixpk= 2435, nxpk= 10, iat=1635,1614, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   0 AMB   10-2:2437  104 PHE          HN  7.00   (#   2437:10      Single   Ambig  )
 &rst
  ixpk= 2437, nxpk= 10, iat=  -1,1633, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1276,1599,
 &end
#
#  87 ILE         QD1  104 PHE          HN  6.00   (#   2438:10  Preassigned   4.36, 5.91 A)
 &rst
  ixpk= 2438, nxpk= 10, iat=  -1,1633, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=1365,1366,1367,
 &end
#
#  82 MET          ME  105 GLY          HN  6.00   (#   2439:10  Preassigned   5.95, 7.38 A)
 &rst
  ixpk= 2439, nxpk= 10, iat=  -1,1653, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=1268,1269,1270,
 &end
#
# 106 HIS         HB-  105 GLY          HN  6.00   (#   2441:10  Preassigned   4.77, 5.29 A)
 &rst
  ixpk= 2441, nxpk= 10, iat=  -1,1653, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1664,1665,
 &end
#
# 134 SER         HB-  105 GLY          HN  6.00   (#   2442:10  Preassigned   4.44, 5.52 A)
 &rst
  ixpk= 2442, nxpk= 10, iat=  -1,1653, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=2130,2131,
 &end
#
# 108 ASP          HA  109 ASN        HD2-  6.00   (#   2443:10  Preassigned   6.19, 7.34 A)
 &rst
  ixpk= 2443, nxpk= 10, iat=1703,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1722,1723,
 &end
#
# 108 ASP          HA  109 ASN        HD2+  6.00   (#   2444:10  Preassigned   6.19, 7.34 A)
 &rst
  ixpk= 2444, nxpk= 10, iat=1703,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1722,1723,
 &end
#
#  55 GLU         HG-   57 GLN        HE2+  5.50   (#   2445:10  Preassigned   4.19, 6.18 A)
 &rst
  ixpk= 2445, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 815, 816,
 igr2= 852, 853,
 &end
#
#  55 GLU         HB-   57 GLN        HE2+  7.00   (#   2446:10  Preassigned   4.29, 6.14 A)
 &rst
  ixpk= 2446, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 812, 813,
 igr2= 852, 853,
 &end
#
# 144 ALA          MB  146 GLN        HE2+  7.00   (#   2447:10      Unique   2.52, 6.18 A)
 &rst
  ixpk= 2447, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=2286,2287,2288,
 igr2=2319,2320,
 &end
#
# 111 CYS         HB-  110 GLU          HN  6.00   (#   2448:10  Preassigned   4.74, 5.52 A)
 &rst
  ixpk= 2448, nxpk= 10, iat=  -1,1727, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1746,1747,
 &end
#
# 110 GLU          HA  112 GLU          HN  6.00   (#   2449:10  Preassigned   4.77, 5.83 A)
 &rst
  ixpk= 2449, nxpk= 10, iat=1729,1753, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 117 TYR         HB+  119 LYS          HN  6.00   (#   2450:10  Preassigned   3.58, 5.22 A)
 &rst
  ixpk= 2450, nxpk= 10, iat=  -1,1872, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1831,1832,
 &end
#
# 116 PRO         HB-  119 LYS          HN  6.00   (#   2451:10  Preassigned   3.73, 4.97 A)
 &rst
  ixpk= 2451, nxpk= 10, iat=  -1,1872, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1820,1821,
 &end
#
# 118 ARG         HG+  119 LYS          HN  6.00   (#   2452:10  Preassigned   4.49, 5.28 A)
 &rst
  ixpk= 2452, nxpk= 10, iat=  -1,1872, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1855,1856,
 &end
#
# 116 PRO         HB+  119 LYS          HN  5.50   (#   2453:10  Preassigned   3.73, 4.97 A)
 &rst
  ixpk= 2453, nxpk= 10, iat=  -1,1872, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1820,1821,
 &end
#
# 119 LYS         HE+  120 SER          HN  7.00   (#   2454:10  Preassigned   3.86, 5.74 A)
 &rst
  ixpk= 2454, nxpk= 10, iat=  -1,1894, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1885,1886,
 &end
#
#  48 THR         MG2  122 GLU          HN  6.00   (#   2456:10  Preassigned   5.67, 6.36 A)
 &rst
  ixpk= 2456, nxpk= 10, iat=  -1,1929, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 724, 725, 726,
 &end
#
# 123 THR         MG2  122 GLU          HN  6.00   (#   2457:10  Preassigned   6.67, 7.15 A)
 &rst
  ixpk= 2457, nxpk= 10, iat=  -1,1929, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=1950,1951,1952,
 &end
#
# 124 PHE         HB+  123 THR          HN  5.50   (#   2458:10  Preassigned   4.48, 5.27 A)
 &rst
  ixpk= 2458, nxpk= 10, iat=  -1,1944, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1962,1963,
 &end
#
# 121 ARG         HB+  123 THR          HN  6.00   (#   2459:10  Preassigned   5.24, 5.58 A)
 &rst
  ixpk= 2459, nxpk= 10, iat=  -1,1944, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1909,1910,
 &end
#
# 116 PRO         HB-  124 PHE          HN  5.50   (#   2460:10  Preassigned   3.33, 4.23 A)
 &rst
  ixpk= 2460, nxpk= 10, iat=  -1,1958, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1820,1821,
 &end
#
# 128 TYR         HB+  126 ALA          HN  6.00   (#   2461:10  Preassigned   4.92, 5.40 A)
 &rst
  ixpk= 2461, nxpk= 10, iat=  -1,1988, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=2018,2019,
 &end
#
# 124 PHE         HB+  126 ALA          HN  6.00   (#   2462:10  Preassigned   5.20, 5.48 A)
 &rst
  ixpk= 2462, nxpk= 10, iat=  -1,1988, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1962,1963,
 &end
#
# 129 THR          HB  126 ALA          HN  5.50   (#   2463:10  Preassigned   5.42, 5.57 A)
 &rst
  ixpk= 2463, nxpk= 10, iat=2039,1988, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 124 PHE          HA  127 VAL          HN  4.00   (#   2464:10      Unique   3.26, 3.57 A)
 &rst
  ixpk= 2464, nxpk= 10, iat=1960,1998, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 129 THR          HB  128 TYR          HN  5.50   (#   2465:10  Preassigned   5.10, 5.15 A)
 &rst
  ixpk= 2465, nxpk= 10, iat=2039,2014, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  59 SER          HA   54 ALA          HN  6.00   (#   2466:10  Preassigned   3.37, 4.88 A)
 &rst
  ixpk= 2466, nxpk= 10, iat= 878, 798, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  22 LEU         MDY  133 ARG          HN  5.50   (#   2467:10  Preassigned   5.08, 6.90 A)
 &rst
  ixpk= 2467, nxpk= 10, iat=  -1,2102, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
# 131 LEU         HB+  133 ARG          HN  6.00   (#   2468:10  Preassigned   5.37, 5.97 A)
 &rst
  ixpk= 2468, nxpk= 10, iat=  -1,2102, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=2072,2073,
 &end
#
#   0 AMB   10-2:2469  133 ARG          HN  5.50   (#   2469:10      Single   Ambig  )
 &rst
  ixpk= 2469, nxpk= 10, iat=  -1,2102, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2151,2152,2072,2073,
 &end
#
#   0 AMB   10-2:2470  134 SER          HN  7.00   (#   2470:10      Single   Ambig  )
 &rst
  ixpk= 2470, nxpk= 10, iat=  -1,2126, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=2112,2113,1681,1682,
 &end
#
# 133 ARG         HD-  134 SER          HN  7.00   (#   2471:10  Preassigned   4.38, 5.37 A)
 &rst
  ixpk= 2471, nxpk= 10, iat=  -1,2126, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=2112,2113,
 &end
#
#   0 AMB   10-2:2472  135 ALA          HN  7.00   (#   2472:10      Single   Ambig  )
 &rst
  ixpk= 2472, nxpk= 10, iat=  -1,2137, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=2175,2176,2094,2095,
 &end
#
# 138 TRP         HB+  136 ARG          HN  7.00   (#   2475:10  Preassigned   5.25, 6.18 A)
 &rst
  ixpk= 2475, nxpk= 10, iat=  -1,2147, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=2192,2193,
 &end
#
#   0 AMB   10-2:2476  136 ARG          HN  5.50   (#   2476:10      Single   Ambig  )
 &rst
  ixpk= 2476, nxpk= 10, iat=  -1,2147, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=2216,2217,2218,2109,2110,
 &end
#
#  95 PRO         HD+   92 GLU          HN  7.00   (#   2477:10  Preassigned   5.10, 6.33 A)
 &rst
  ixpk= 2477, nxpk= 10, iat=  -1,1440, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1483,1484,
 &end
#
#   0 AMB   10-2:2478  137 GLN        HE2-  7.00   (#   2478:10      Single   Ambig  )
 &rst
  ixpk= 2478, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1=2106,2107,2106,2107,
 igr2=2183,2184,
 &end
#
# 134 SER          HA  137 GLN        HE2+  7.00   (#   2479:10  Preassigned   4.07, 5.13 A)
 &rst
  ixpk= 2479, nxpk= 10, iat=2128,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=2183,2184,
 &end
#
#   0 AMB   10-2:2480    0 AMB   10-1:2480  7.00   (#   2480:10      Double   Ambig  )
 &rst
  ixpk= 2480, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
 igr1=2106,2107,2106,2107,
 igr2=2183,2184,2183,2184,
 &end
#
#  26 TYR         HB+  140 GLN          HN  6.00   (#   2481:10  Preassigned   5.20, 6.02 A)
 &rst
  ixpk= 2481, nxpk= 10, iat=  -1,2222, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 412, 413,
 &end
#
# 143 ASN         HB+  140 GLN        HE2-  7.00   (#   2482:10  Preassigned   3.42, 6.53 A)
 &rst
  ixpk= 2482, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=2272,2273,
 igr2=2234,2235,
 &end
#
#   0 AMB   10-2:2484    0 AMB   10-1:2484  7.00   (#   2484:10      Double   Ambig  )
 &rst
  ixpk= 2484, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1=2173,2241,
 igr2=2234,2235,2234,2235,
 &end
#
# 140 GLN          HA  140 GLN        HE2+  7.00   (#   2485:10  Preassigned   2.64, 5.03 A)
 &rst
  ixpk= 2485, nxpk= 10, iat=2224,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=2234,2235,
 &end
#
# 144 ALA          MB  140 GLN        HE2+  7.00   (#   2486:10  Preassigned   2.52, 7.23 A)
 &rst
  ixpk= 2486, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=2286,2287,2288,
 igr2=2234,2235,
 &end
#
# 142 LEU          HA  141 ALA          HN  5.50   (#   2488:10  Preassigned   5.28, 5.36 A)
 &rst
  ixpk= 2488, nxpk= 10, iat=2251,2239, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 141 ALA          MB  141 ALA          HN  4.00   (#   2490:10  Preassigned   2.41, 2.90 A)
 &rst
  ixpk= 2490, nxpk= 10, iat=  -1,2239, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=2243,2244,2245,
 &end
#
# 141 ALA          HA  145 GLU          HN  5.50   (#   2494:10  Preassigned   3.17, 4.89 A)
 &rst
  ixpk= 2494, nxpk= 10, iat=2241,2292, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  52 VAL         MGY  121 ARG          HE  5.50   (#   2496:10  Preassigned   2.43, 6.10 A)
 &rst
  ixpk= 2496, nxpk= 10, iat=  -1,1918, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 778, 779, 780, 782, 783, 784,
 &end
#
#  52 VAL         MGX  121 ARG          HE  5.50   (#   2497:10  Preassigned   2.43, 6.10 A)
 &rst
  ixpk= 2497, nxpk= 10, iat=  -1,1918, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 778, 779, 780, 782, 783, 784,
 &end
#
# 125 ALA          MB  121 ARG          HE  7.00   (#   2498:10      Unique   4.05, 7.51 A)
 &rst
  ixpk= 2498, nxpk= 10, iat=  -1,1918, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1982,1983,1984,
 &end
#
#  51 SER         HB-  121 ARG          HE  5.50   (#   2499:10      Unique   2.11, 4.08 A)
 &rst
  ixpk= 2499, nxpk= 10, iat=  -1,1918, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 765, 766,
 &end
#
#  51 SER         HB+  121 ARG          HE  7.00   (#   2500:10      Unique   2.11, 4.08 A)
 &rst
  ixpk= 2500, nxpk= 10, iat=  -1,1918, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 765, 766,
 &end
#
#  32 VAL          HA    0 AMB   10-1:2504  7.00   (#   2504:10      Single   Ambig  )
 &rst
  ixpk= 2504, nxpk= 10, iat= 518,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr2= 379, 380, 379, 380,
 &end
#
#  63 HIS         HB-   62 GLY          HN  6.00   (#   2506:10  Preassigned   3.34, 4.47 A)
 &rst
  ixpk= 2506, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 932, 933,
 &end
#
#  63 HIS         HB+   62 GLY          HN  6.00   (#   2507:10  Preassigned   3.34, 4.47 A)
 &rst
  ixpk= 2507, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 932, 933,
 &end
#
#  78 LEU          HG    2 PHE          HN  6.00   (#   2508:10  Preassigned   5.65, 7.47 A)
 &rst
  ixpk= 2508, nxpk= 10, iat=1193,  21, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  70 ARG          HE   96 GLU          HN  5.50   (#   2509:10  Preassigned   3.93, 6.10 A)
 &rst
  ixpk= 2509, nxpk= 10, iat=1050,1496, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  30 LEU         HB+   29 GLU          HN  6.00   (#   2511:10  Preassigned   3.57, 4.77 A)
 &rst
  ixpk= 2511, nxpk= 10, iat=  -1, 460, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 479, 480,
 &end
#
#  26 TYR          HD   24 GLN          HN  7.00   (#   2512:10  Preassigned   5.55, 7.02 A)
 &rst
  ixpk= 2512, nxpk= 10, iat=  -1, 367, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 416, 425,
 &end
#
#   0 AMB   10-2:2513   30 LEU          HN  5.50   (#   2513:10      Single   Ambig  )
 &rst
  ixpk= 2513, nxpk= 10, iat=  -1, 475, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 379, 380, 379, 380,
 &end
#
# 140 GLN         HG-  137 GLN        HE2+  5.50   (#   2521:10  Preassigned   5.86, 7.28 A)
 &rst
  ixpk= 2521, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2229,2230,
 igr2=2183,2184,
 &end
#
#  43 LYS          HN   41 VAL          HN  6.00   (#   2523:10  Preassigned   4.69, 4.75 A)
 &rst
  ixpk= 2523, nxpk= 10, iat= 653, 630, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   6 LEU          HN   80 LEU          HN  4.00   (#   2525:10  Preassigned   3.55, 3.88 A)
 &rst
  ixpk= 2525, nxpk= 10, iat=  88,1224, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  80 LEU         MDY  102 MET          HN  4.00   (#   2526:10  Preassigned   2.83, 5.37 A)
 &rst
  ixpk= 2526, nxpk= 10, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1233,1234,1235,1237,1238,1239,
 &end
#
#  77 ASP          HN    6 LEU          HN  6.00   (#   2533:10      Unique   4.12, 4.78 A)
 &rst
  ixpk= 2533, nxpk= 10, iat=1174,  88, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 140 GLN         HG+  143 ASN        HD2-  5.50   (#   2537:10      Unique   4.34, 6.27 A)
 &rst
  ixpk= 2537, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2229,2230,
 igr2=2277,2278,
 &end
#
# 140 GLN         HG+  143 ASN        HD2+  7.00   (#   2538:10      Unique   4.34, 6.27 A)
 &rst
  ixpk= 2538, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=2229,2230,
 igr2=2277,2278,
 &end
#
# 107 TRP         HH2  141 ALA          HN  5.50   (#   2539:10      Unique   4.48, 5.70 A)
 &rst
  ixpk= 2539, nxpk= 10, iat=1692,2239, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  27 HIS         HD2  141 ALA          HN  7.00   (#   2540:10      Unique   6.09, 7.11 A)
 &rst
  ixpk= 2540, nxpk= 10, iat= 442,2239, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   0 AMB   10-2:2541  106 HIS          HN  7.00   (#   2541:10      Single   Ambig  )
 &rst
  ixpk= 2541, nxpk= 10, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1687,1703,
 &end
#
#   0 AMB   10-2:2542  105 GLY          HN  7.00   (#   2542:10      Single   Ambig  )
 &rst
  ixpk= 2542, nxpk= 10, iat=  -1,1653, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1687,1703,
 &end
#
# 110 GLU          HA  106 HIS          HN  5.50   (#   2543:10      Unique   3.91, 4.21 A)
 &rst
  ixpk= 2543, nxpk= 10, iat=1729,1660, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   10-2:2546  111 CYS          HN  7.00   (#   2546:10      Single   Ambig  )
 &rst
  ixpk= 2546, nxpk= 10, iat=  -1,1742, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1755,1770,
 &end
#
# 106 HIS         HB-  111 CYS          HN  6.00   (#   2549:10      Unique   5.83, 7.17 A)
 &rst
  ixpk= 2549, nxpk= 10, iat=  -1,1742, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1664,1665,
 &end
#
# 129 THR          HB  132 GLU          HN  6.00   (#   2552:10      Unique   5.38, 5.48 A)
 &rst
  ixpk= 2552, nxpk= 10, iat=2039,2087, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 129 THR          HB  131 LEU          HN  6.00   (#   2553:10      Unique   5.28, 5.39 A)
 &rst
  ixpk= 2553, nxpk= 10, iat=2039,2068, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 129 THR          HA  133 ARG          HN  5.50   (#   2554:10      Unique   3.84, 4.04 A)
 &rst
  ixpk= 2554, nxpk= 10, iat=2037,2102, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   10-2:2556   49 ALA          HN  7.00   (#   2556:10      Single   Ambig  )
 &rst
  ixpk= 2556, nxpk= 10, iat=  -1, 732, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1= 778, 779, 780, 782, 783, 784,1820,1821,
 &end
#
#  45 ALA          MB   49 ALA          HN  6.00   (#   2557:10      Unique   4.80, 6.52 A)
 &rst
  ixpk= 2557, nxpk= 10, iat=  -1, 732, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 686, 687, 688,
 &end
#
# 145 GLU          HA  147 VAL          HN  6.00   (#   2560:10      Unique   3.99, 6.25 A)
 &rst
  ixpk= 2560, nxpk= 10, iat=2294,2324, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  20 GLU          HA   33 GLU          HN  6.00   (#   2561:10      Unique   4.51, 4.84 A)
 &rst
  ixpk= 2561, nxpk= 10, iat= 292, 532, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
********************************************************************
Cnoesy retrtains
********************************************************************
#
#  81 THR         MG2   81 THR          HB  4.00   (#    1:20  Preassigned   2.40, 2.65 A)
 &rst
  ixpk= 1, nxpk= 20, iat=  -1,1247, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 igr1=1249,1250,1251,
 &end
#
#   8 VAL          HB   81 THR          HB  5.50   (#    3:20  Preassigned   2.72, 3.64 A)
 &rst
  ixpk= 3, nxpk= 20, iat= 127,1247, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   8 VAL         MGX   81 THR          HB  5.50   (#    4:20  Preassigned   2.49, 5.65 A)
 &rst
  ixpk= 4, nxpk= 20, iat=  -1,1247, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 129, 130, 131, 133, 134, 135,
 &end
#
#  90 LEU         MDX   81 THR          HB  5.50   (#    5:20  Preassigned   2.95, 5.42 A)
 &rst
  ixpk= 5, nxpk= 20, iat=  -1,1247, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1419,1420,1421,1423,1424,1425,
 &end
#
# 129 THR          HN  129 THR          HB  4.00   (#    6:20  Preassigned   2.55, 2.58 A)
 &rst
  ixpk= 6, nxpk= 20, iat=2035,2039, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 130 LEU          HN  129 THR          HB  4.00   (#    7:20  Preassigned   2.52, 2.69 A)
 &rst
  ixpk= 7, nxpk= 20, iat=2049,2039, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 129 THR         MG2  129 THR          HB  2.80   (#    8:20  Preassigned   2.46, 2.67 A)
 &rst
  ixpk= 8, nxpk= 20, iat=  -1,2039, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=2041,2042,2043,
 &end
#
# 129 THR          HA  129 THR          HB  4.00   (#    9:20  Preassigned   3.05, 3.05 A)
 &rst
  ixpk= 9, nxpk= 20, iat=2037,2039, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  18 THR          HN   18 THR          HA  5.50   (#   11:20  Preassigned   2.77, 2.81 A)
 &rst
  ixpk= 11, nxpk= 20, iat= 266, 268, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  60 LEU         MDY   18 THR          HA  4.00   (#   12:20  Preassigned   2.34, 4.49 A)
 &rst
  ixpk= 12, nxpk= 20, iat=  -1, 268, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 896, 897, 898, 900, 901, 902,
 &end
#
#  18 THR          HB   18 THR          HA  5.50   (#   13:20  Preassigned   3.03, 3.04 A)
 &rst
  ixpk= 13, nxpk= 20, iat= 270, 268, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 123 THR         MG2  123 THR          HA  4.00   (#   14:20  Preassigned   2.39, 2.98 A)
 &rst
  ixpk= 14, nxpk= 20, iat=  -1,1946, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=1950,1951,1952,
 &end
#
#   0 AMB     20-2:15  123 THR          HA  4.00   (#   15:20      Single   Ambig  )
 &rst
  ixpk= 15, nxpk= 20, iat=  -1,1946, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1944,1988,
 &end
#
# 126 ALA          MB  123 THR          HA  4.00   (#   16:20  Preassigned   2.50, 3.56 A)
 &rst
  ixpk= 16, nxpk= 20, iat=  -1,1946, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=1992,1993,1994,
 &end
#
# 129 THR          HB  129 THR          HA  5.50   (#   17:20  Preassigned   3.05, 3.05 A)
 &rst
  ixpk= 17, nxpk= 20, iat=2039,2037, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 129 THR          HN  129 THR          HA  4.00   (#   18:20  Preassigned   2.81, 2.83 A)
 &rst
  ixpk= 18, nxpk= 20, iat=2035,2037, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 132 GLU         HB+  129 THR          HA  5.50   (#   19:20  Preassigned   2.30, 3.11 A)
 &rst
  ixpk= 19, nxpk= 20, iat=  -1,2037, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2091,2092,
 &end
#
# 132 GLU         HB-  129 THR          HA  5.50   (#   20:20  Preassigned   2.30, 3.11 A)
 &rst
  ixpk= 20, nxpk= 20, iat=  -1,2037, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2091,2092,
 &end
#
# 129 THR         MG2  129 THR          HA  2.80   (#   21:20  Preassigned   2.49, 3.11 A)
 &rst
  ixpk= 21, nxpk= 20, iat=  -1,2037, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=2041,2042,2043,
 &end
#
# 130 LEU          HN  129 THR          HA  5.50   (#   22:20  Preassigned   3.56, 3.58 A)
 &rst
  ixpk= 22, nxpk= 20, iat=2049,2037, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 128 TYR          HD  129 THR          HA  5.50   (#   23:20  Preassigned   2.66, 4.72 A)
 &rst
  ixpk= 23, nxpk= 20, iat=  -1,2037, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2022,2031,
 &end
#
#  18 THR         MG2   18 THR          HA  5.50   (#   24:20  Preassigned   2.39, 3.04 A)
 &rst
  ixpk= 24, nxpk= 20, iat=  -1, 268, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 272, 273, 274,
 &end
#
# 130 LEU          HN  127 VAL          HA  5.50   (#   25:20  Preassigned   3.01, 3.27 A)
 &rst
  ixpk= 25, nxpk= 20, iat=2049,2000, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 127 VAL          HB  127 VAL          HA  5.50   (#   26:20  Preassigned   2.38, 2.84 A)
 &rst
  ixpk= 26, nxpk= 20, iat=2002,2000, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 130 LEU          HG  127 VAL          HA  5.50   (#   27:20  Preassigned   3.73, 4.22 A)
 &rst
  ixpk= 27, nxpk= 20, iat=2056,2000, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 127 VAL          HN  127 VAL          HA  5.50   (#   29:20  Preassigned   2.83, 2.85 A)
 &rst
  ixpk= 29, nxpk= 20, iat=1998,2000, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  48 THR         MG2   48 THR          HA  4.00   (#   36:20  Preassigned   2.38, 2.97 A)
 &rst
  ixpk= 36, nxpk= 20, iat=  -1, 720, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 724, 725, 726,
 &end
#
#  53 ALA          HN   52 VAL          HA  6.00   (#   37:20  Preassigned   3.52, 3.61 A)
 &rst
  ixpk= 37, nxpk= 20, iat= 788, 774, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  55 GLU         HG+   52 VAL          HA  5.50   (#   38:20  Preassigned   3.36, 4.67 A)
 &rst
  ixpk= 38, nxpk= 20, iat=  -1, 774, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 815, 816,
 &end
#
#  52 VAL         MGY   52 VAL          HA  4.00   (#   39:20  Preassigned   2.36, 3.33 A)
 &rst
  ixpk= 39, nxpk= 20, iat=  -1, 774, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 778, 779, 780, 782, 783, 784,
 &end
#
#  52 VAL         MGX   52 VAL          HA  4.00   (#   40:20  Preassigned   2.36, 3.33 A)
 &rst
  ixpk= 40, nxpk= 20, iat=  -1, 774, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 778, 779, 780, 782, 783, 784,
 &end
#
#  52 VAL          HN   52 VAL          HA  4.00   (#   41:20  Preassigned   2.85, 2.88 A)
 &rst
  ixpk= 41, nxpk= 20, iat= 772, 774, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  87 ILE          HN   87 ILE          HA  5.50   (#   42:20  Preassigned   2.78, 2.84 A)
 &rst
  ixpk= 42, nxpk= 20, iat=1352,1354, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  81 THR         MG2   87 ILE          HA  4.00   (#   44:20  Preassigned   2.62, 3.99 A)
 &rst
  ixpk= 44, nxpk= 20, iat=  -1,1354, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=1249,1250,1251,
 &end
#
#  87 ILE          HB   87 ILE          HA  7.00   (#   45:20  Preassigned   2.11, 3.00 A)
 &rst
  ixpk= 45, nxpk= 20, iat=1356,1354, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  50 ILE         QD1   47 PRO          HA  4.00   (#   46:20  Preassigned   2.22, 3.37 A)
 &rst
  ixpk= 46, nxpk= 20, iat=  -1, 714, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 755, 756, 757,
 &end
#
#  50 ILE          HB   47 PRO          HA  4.00   (#   47:20  Preassigned   2.15, 2.37 A)
 &rst
  ixpk= 47, nxpk= 20, iat= 746, 714, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  50 ILE         QG2   47 PRO          HA  5.50   (#   48:20  Preassigned   3.87, 4.64 A)
 &rst
  ixpk= 48, nxpk= 20, iat=  -1, 714, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 748, 749, 750,
 &end
#
#  51 SER          HN   48 THR          HA  5.50   (#   49:20  Preassigned   2.97, 3.23 A)
 &rst
  ixpk= 49, nxpk= 20, iat= 761, 720, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  55 GLU          HN   52 VAL          HA  5.50   (#   50:20  Preassigned   3.15, 3.43 A)
 &rst
  ixpk= 50, nxpk= 20, iat= 808, 774, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB     20-2:51   52 VAL          HA  5.50   (#   51:20      Single   Ambig  )
 &rst
  ixpk= 51, nxpk= 20, iat=  -1, 774, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 812, 813, 776,
 &end
#
#   0 AMB     20-2:52   50 ILE          HA  4.00   (#   52:20      Single   Ambig  )
 &rst
  ixpk= 52, nxpk= 20, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 5.23, r4= 5.98,
 igr1= 752, 753, 792, 793, 794,
 &end
#
#  50 ILE         QG2   50 ILE          HA  4.00   (#   53:20  Preassigned   2.57, 3.23 A)
 &rst
  ixpk= 53, nxpk= 20, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 748, 749, 750,
 &end
#
#  50 ILE        HG1-   50 ILE          HA  5.50   (#   54:20  Preassigned   2.43, 2.73 A)
 &rst
  ixpk= 54, nxpk= 20, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 752, 753,
 &end
#
#   0 AMB     20-2:55   50 ILE          HA  4.00   (#   55:20      Single   Ambig  )
 &rst
  ixpk= 55, nxpk= 20, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
       901, 902,
 &end
#
#  50 ILE          HN   50 ILE          HA  5.50   (#   56:20  Preassigned   2.80, 2.82 A)
 &rst
  ixpk= 56, nxpk= 20, iat= 742, 744, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  50 ILE          HB   50 ILE          HA  5.50   (#   57:20  Preassigned   3.02, 3.04 A)
 &rst
  ixpk= 57, nxpk= 20, iat= 746, 744, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  90 LEU         HB+   87 ILE          HA  5.50   (#   58:20  Preassigned   2.69, 3.98 A)
 &rst
  ixpk= 58, nxpk= 20, iat=  -1,1354, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1414,1415,
 &end
#
#   0 AMB     20-2:59   87 ILE          HA  5.50   (#   59:20      Single   Ambig  )
 &rst
  ixpk= 59, nxpk= 20, iat=  -1,1354, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1362,1363,1417,
 &end
#
#  48 THR         MG2   48 THR          HB  4.00   (#   60:20  Preassigned   2.46, 2.67 A)
 &rst
  ixpk= 60, nxpk= 20, iat=  -1, 722, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 724, 725, 726,
 &end
#
#  47 PRO         HG+   47 PRO          HA  7.00   (#   61:20  Preassigned   2.76, 3.47 A)
 &rst
  ixpk= 61, nxpk= 20, iat=  -1, 714, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 708, 709,
 &end
#
#  50 ILE          HN   47 PRO          HA  5.50   (#   62:20  Preassigned   3.09, 3.33 A)
 &rst
  ixpk= 62, nxpk= 20, iat= 742, 714, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  47 PRO         HG-   47 PRO          HA  5.50   (#   63:20  Preassigned   2.76, 3.47 A)
 &rst
  ixpk= 63, nxpk= 20, iat=  -1, 714, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 708, 709,
 &end
#
#  47 PRO         HB-   47 PRO          HA  5.50   (#   64:20  Preassigned   2.26, 2.66 A)
 &rst
  ixpk= 64, nxpk= 20, iat=  -1, 714, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 711, 712,
 &end
#
#  47 PRO         HB+   47 PRO          HA  4.00   (#   65:20  Preassigned   2.26, 2.66 A)
 &rst
  ixpk= 65, nxpk= 20, iat=  -1, 714, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 711, 712,
 &end
#
#  45 ALA          MB   50 ILE          HA  5.50   (#   66:20  Preassigned   4.37, 5.44 A)
 &rst
  ixpk= 66, nxpk= 20, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 686, 687, 688,
 &end
#
#  42 GLY         HA+   41 VAL          HA  5.50   (#   67:20  Preassigned   4.31, 4.41 A)
 &rst
  ixpk= 67, nxpk= 20, iat=  -1, 632, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 648, 649,
 &end
#
#  41 VAL          HB   41 VAL          HA  4.00   (#   68:20  Preassigned   2.33, 2.79 A)
 &rst
  ixpk= 68, nxpk= 20, iat= 634, 632, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  48 THR          HN   48 THR          HB  5.50   (#   69:20  Preassigned   2.49, 2.74 A)
 &rst
  ixpk= 69, nxpk= 20, iat= 718, 722, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  96 GLU          HN   95 PRO          HA  5.50   (#   70:20  Preassigned   3.31, 3.51 A)
 &rst
  ixpk= 70, nxpk= 20, iat=1496,1492, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  97 MET          HN   95 PRO          HA  5.50   (#   71:20  Preassigned   3.34, 3.63 A)
 &rst
  ixpk= 71, nxpk= 20, iat=1511,1492, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  95 PRO         HB-   95 PRO          HA  4.00   (#   72:20  Preassigned   2.28, 2.55 A)
 &rst
  ixpk= 72, nxpk= 20, iat=  -1,1492, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1489,1490,
 &end
#
#  95 PRO         HB+   95 PRO          HA  4.00   (#   73:20  Preassigned   2.28, 2.55 A)
 &rst
  ixpk= 73, nxpk= 20, iat=  -1,1492, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1489,1490,
 &end
#
# 122 GLU          HN  120 SER         HB-  5.50   (#   74:20  Preassigned   2.41, 3.17 A)
 &rst
  ixpk= 74, nxpk= 20, iat=1929,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1898,1899,
 &end
#
# 120 SER          HN  120 SER         HB-  4.00   (#   75:20  Preassigned   2.50, 3.05 A)
 &rst
  ixpk= 75, nxpk= 20, iat=1894,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1898,1899,
 &end
#
#  91 CYS          HA   95 PRO          HA  4.00   (#   76:20  Preassigned   2.78, 3.48 A)
 &rst
  ixpk= 76, nxpk= 20, iat=1431,1492, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  98 ARG         HG-   95 PRO          HA  5.50   (#   77:20  Preassigned   2.37, 4.69 A)
 &rst
  ixpk= 77, nxpk= 20, iat=  -1,1492, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1535,1536,
 &end
#
#  41 VAL          HN   41 VAL          HA  5.50   (#   79:20  Preassigned   2.57, 2.65 A)
 &rst
  ixpk= 79, nxpk= 20, iat= 630, 632, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  41 VAL         MGY   41 VAL          HA  2.80   (#   80:20  Preassigned   2.48, 3.29 A)
 &rst
  ixpk= 80, nxpk= 20, iat=  -1, 632, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 636, 637, 638, 640, 641, 642,
 &end
#
#  41 VAL         MGX   41 VAL          HA  2.80   (#   81:20  Preassigned   2.48, 3.29 A)
 &rst
  ixpk= 81, nxpk= 20, iat=  -1, 632, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 636, 637, 638, 640, 641, 642,
 &end
#
#  42 GLY          HN   41 VAL          HA  4.00   (#   82:20  Preassigned   2.11, 2.13 A)
 &rst
  ixpk= 82, nxpk= 20, iat= 646, 632, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  43 LYS          HN   41 VAL          HA  5.50   (#   83:20  Preassigned   3.47, 3.67 A)
 &rst
  ixpk= 83, nxpk= 20, iat= 653, 632, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  66 ARG          HA   41 VAL          HA  5.50   (#   84:20  Preassigned   2.71, 3.20 A)
 &rst
  ixpk= 84, nxpk= 20, iat= 968, 632, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  42 GLY         HA-   41 VAL          HA  5.50   (#   85:20  Preassigned   4.31, 4.41 A)
 &rst
  ixpk= 85, nxpk= 20, iat=  -1, 632, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 648, 649,
 &end
#
#  65 ALA          MB   41 VAL          HA  4.00   (#   86:20  Preassigned   2.21, 3.21 A)
 &rst
  ixpk= 86, nxpk= 20, iat=  -1, 632, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 960, 961, 962,
 &end
#
#  95 PRO         HG+   95 PRO          HA  5.50   (#   87:20      Unique   2.81, 3.87 A)
 &rst
  ixpk= 87, nxpk= 20, iat=  -1,1492, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1486,1487,
 &end
#
#  98 ARG          HN   95 PRO          HA  5.50   (#   88:20  Preassigned   3.00, 3.27 A)
 &rst
  ixpk= 88, nxpk= 20, iat=1528,1492, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  95 PRO         HD-   95 PRO          HA  5.50   (#   89:20  Preassigned   3.41, 3.76 A)
 &rst
  ixpk= 89, nxpk= 20, iat=  -1,1492, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1483,1484,
 &end
#
#   0 AMB     20-2:90   95 PRO          HA  5.50   (#   90:20      Single   Ambig  )
 &rst
  ixpk= 90, nxpk= 20, iat=  -1,1492, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1538,1539,1483,1484,
 &end
#
#  17 PRO         HB-   17 PRO          HA  5.50   (#   91:20  Preassigned   2.23, 2.59 A)
 &rst
  ixpk= 91, nxpk= 20, iat=  -1, 262, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 259, 260,
 &end
#
#  17 PRO         HG+   17 PRO          HA  5.50   (#   92:20  Preassigned   3.08, 3.81 A)
 &rst
  ixpk= 92, nxpk= 20, iat=  -1, 262, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 256, 257,
 &end
#
#  20 GLU         HB-   17 PRO          HA  5.50   (#   93:20  Preassigned   2.12, 4.40 A)
 &rst
  ixpk= 93, nxpk= 20, iat=  -1, 262, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 294, 295,
 &end
#
#  17 PRO         HB+   17 PRO          HA  4.00   (#   94:20  Preassigned   2.23, 2.59 A)
 &rst
  ixpk= 94, nxpk= 20, iat=  -1, 262, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 259, 260,
 &end
#
#  20 GLU         HB+   17 PRO          HA  5.50   (#   95:20  Preassigned   2.12, 4.40 A)
 &rst
  ixpk= 95, nxpk= 20, iat=  -1, 262, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 294, 295,
 &end
#
#  20 GLU          HN   17 PRO          HA  5.50   (#   96:20  Preassigned   3.32, 3.76 A)
 &rst
  ixpk= 96, nxpk= 20, iat= 290, 262, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  68 ILE         QD1   73 CYS          HA  5.50   (#   97:20  Preassigned   2.56, 4.17 A)
 &rst
  ixpk= 97, nxpk= 20, iat=  -1,1106, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1020,1021,1022,
 &end
#
#  73 CYS         HB+   73 CYS          HA  5.50   (#   98:20  Preassigned   2.43, 2.77 A)
 &rst
  ixpk= 98, nxpk= 20, iat=  -1,1106, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1108,1109,
 &end
#
#   0 AMB     20-2:99   28 PRO          HA  4.00   (#   99:20      Single   Ambig  )
 &rst
  ixpk= 99, nxpk= 20, iat=  -1, 456, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 379, 380, 379, 380,
 &end
#
#  24 GLN          HA   28 PRO          HA  5.50   (#   100:20  Preassigned   3.34, 3.91 A)
 &rst
  ixpk= 100, nxpk= 20, iat= 369, 456, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  28 PRO         HD-   28 PRO          HA  5.50   (#   101:20  Preassigned   3.45, 3.77 A)
 &rst
  ixpk= 101, nxpk= 20, iat=  -1, 456, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 447, 448,
 &end
#
#  28 PRO         HB+   28 PRO          HA  2.80   (#   102:20  Preassigned   2.27, 2.58 A)
 &rst
  ixpk= 102, nxpk= 20, iat=  -1, 456, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 453, 454,
 &end
#
#  28 PRO         HB-   28 PRO          HA  4.00   (#   103:20  Preassigned   2.27, 2.58 A)
 &rst
  ixpk= 103, nxpk= 20, iat=  -1, 456, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 453, 454,
 &end
#
#  74 ARG          HN   73 CYS          HA  5.50   (#   104:20  Preassigned   3.58, 3.59 A)
 &rst
  ixpk= 104, nxpk= 20, iat=1115,1106, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  73 CYS          HN   73 CYS          HA  5.50   (#   105:20  Preassigned   2.75, 2.79 A)
 &rst
  ixpk= 105, nxpk= 20, iat=1104,1106, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  76 TYR          HD   73 CYS          HA  5.50   (#   106:20  Preassigned   3.54, 5.52 A)
 &rst
  ixpk= 106, nxpk= 20, iat=  -1,1106, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1161,1170,
 &end
#
#  73 CYS         HB-   73 CYS          HA  5.50   (#   107:20  Preassigned   2.43, 2.77 A)
 &rst
  ixpk= 107, nxpk= 20, iat=  -1,1106, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1108,1109,
 &end
#
#  79 ILE         QD1   73 CYS          HA  4.00   (#   108:20  Preassigned   2.75, 4.01 A)
 &rst
  ixpk= 108, nxpk= 20, iat=  -1,1106, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=1218,1219,1220,
 &end
#
#   6 LEU         MDX   73 CYS          HA  5.50   (#   109:20  Preassigned   3.30, 5.73 A)
 &rst
  ixpk= 109, nxpk= 20, iat=  -1,1106, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  97,  98,  99, 101, 102, 103,
 &end
#
#  19 ALA          HN   16 SER          HA  5.50   (#   110:20  Preassigned   3.14, 3.42 A)
 &rst
  ixpk= 110, nxpk= 20, iat= 280, 243, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  82 MET          ME   16 SER          HA  4.00   (#   111:20  Preassigned   2.69, 4.24 A)
 &rst
  ixpk= 111, nxpk= 20, iat=  -1, 243, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=1268,1269,1270,
 &end
#
#   7 VAL         MGX   16 SER          HA  5.50   (#   112:20  Preassigned   2.28, 3.91 A)
 &rst
  ixpk= 112, nxpk= 20, iat=  -1, 243, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 113, 114, 115, 117, 118, 119,
 &end
#
#  60 LEU          HN    0 AMB    20-1:113  5.50   (#   113:20      Single   Ambig  )
 &rst
  ixpk= 113, nxpk= 20, iat= 887,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 880, 881, 880, 881,
 &end
#
# 128 TYR          HN  128 TYR          HA  5.50   (#   116:20  Preassigned   2.78, 2.80 A)
 &rst
  ixpk= 116, nxpk= 20, iat=2014,2016, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 128 TYR          HD  128 TYR          HA  5.50   (#   117:20  Preassigned   2.52, 3.67 A)
 &rst
  ixpk= 117, nxpk= 20, iat=  -1,2016, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2022,2031,
 &end
#
# 128 TYR         HB-  128 TYR          HA  5.50   (#   118:20  Preassigned   2.38, 2.75 A)
 &rst
  ixpk= 118, nxpk= 20, iat=  -1,2016, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2018,2019,
 &end
#
# 127 VAL         MGX  128 TYR          HA  4.00   (#   119:20  Preassigned   3.52, 5.74 A)
 &rst
  ixpk= 119, nxpk= 20, iat=  -1,2016, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=2004,2005,2006,2008,2009,2010,
 &end
#
# 129 THR          HN  128 TYR          HA  5.50   (#   120:20  Preassigned   3.59, 3.61 A)
 &rst
  ixpk= 120, nxpk= 20, iat=2035,2016, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 131 LEU         HB-  128 TYR          HA  5.50   (#   121:20  Preassigned   2.54, 4.59 A)
 &rst
  ixpk= 121, nxpk= 20, iat=  -1,2016, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2072,2073,
 &end
#
#  18 THR         MG2  128 TYR          HA  5.50   (#   122:20  Preassigned   2.19, 3.92 A)
 &rst
  ixpk= 122, nxpk= 20, iat=  -1,2016, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 272, 273, 274,
 &end
#
# 131 LEU         MDX  128 TYR          HA  4.00   (#   123:20  Preassigned   2.43, 4.09 A)
 &rst
  ixpk= 123, nxpk= 20, iat=  -1,2016, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=2077,2078,2079,2081,2082,2083,
 &end
#
# 147 VAL          HN  147 VAL          HA  5.50   (#   124:20  Preassigned   2.71, 2.89 A)
 &rst
  ixpk= 124, nxpk= 20, iat=2324,2326, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    20-2:125  147 VAL          HA  4.00   (#   125:20      Single   Ambig  )
 &rst
  ixpk= 125, nxpk= 20, iat=  -1,2326, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=2330,2331,2332,2334,2335,2336,2330,2331,2332,2334,
      2335,2336,
 &end
#
# 147 VAL          HB  147 VAL          HA  4.00   (#   126:20  Preassigned   2.50, 2.60 A)
 &rst
  ixpk= 126, nxpk= 20, iat=2328,2326, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 127 VAL          HN  124 PHE          HA  5.50   (#   127:20  Preassigned   3.26, 3.57 A)
 &rst
  ixpk= 127, nxpk= 20, iat=1998,1960, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 127 VAL          HB  124 PHE          HA  5.50   (#   130:20  Preassigned   2.35, 3.40 A)
 &rst
  ixpk= 130, nxpk= 20, iat=2002,1960, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 116 PRO         HB-  124 PHE          HA  5.50   (#   131:20  Preassigned   2.36, 2.85 A)
 &rst
  ixpk= 131, nxpk= 20, iat=  -1,1960, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1820,1821,
 &end
#
# 116 PRO         HB+  124 PHE          HA  5.50   (#   133:20  Preassigned   2.36, 2.85 A)
 &rst
  ixpk= 133, nxpk= 20, iat=  -1,1960, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1820,1821,
 &end
#
#   0 AMB    20-2:134  124 PHE          HA  5.50   (#   134:20      Single   Ambig  )
 &rst
  ixpk= 134, nxpk= 20, iat=  -1,1960, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2004,2005,2006,2008,2009,2010,2004,2005,2006,2008,
      2009,2010,
 &end
#
# 128 TYR         HB+  128 TYR          HA  5.50   (#   135:20  Preassigned   2.38, 2.75 A)
 &rst
  ixpk= 135, nxpk= 20, iat=  -1,2016, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2018,2019,
 &end
#
#   0 AMB    20-2:137    0 AMB    20-1:137  5.50   (#   137:20      Double   Ambig  )
 &rst
  ixpk= 137, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2311,2312, 812, 813,
 igr2=2326, 765, 766,
 &end
#
#  92 GLU          HN   91 CYS          HA  6.00   (#   138:20  Preassigned   3.55, 3.62 A)
 &rst
  ixpk= 138, nxpk= 20, iat=1440,1431, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  94 ALA          HN   91 CYS          HA  5.50   (#   151:20  Preassigned   2.97, 3.23 A)
 &rst
  ixpk= 151, nxpk= 20, iat=1472,1431, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  91 CYS          HN   91 CYS          HA  4.00   (#   152:20  Preassigned   2.85, 2.88 A)
 &rst
  ixpk= 152, nxpk= 20, iat=1429,1431, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  95 PRO          HA   91 CYS          HA  5.50   (#   153:20  Preassigned   2.78, 3.48 A)
 &rst
  ixpk= 153, nxpk= 20, iat=1492,1431, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  91 CYS         HB-   91 CYS          HA  5.50   (#   154:20  Preassigned   2.34, 2.73 A)
 &rst
  ixpk= 154, nxpk= 20, iat=  -1,1431, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1433,1434,
 &end
#
#  51 SER          HN   51 SER         HB-  4.00   (#   156:20  Preassigned   2.56, 3.10 A)
 &rst
  ixpk= 156, nxpk= 20, iat= 761,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 765, 766,
 &end
#
#  51 SER          HA   51 SER         HB-  4.00   (#   157:20  Preassigned   2.43, 2.75 A)
 &rst
  ixpk= 157, nxpk= 20, iat= 763,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 765, 766,
 &end
#
# 104 PHE          HN  104 PHE          HA  5.50   (#   158:20  Preassigned   2.69, 2.80 A)
 &rst
  ixpk= 158, nxpk= 20, iat=1633,1635, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 104 PHE         HB-  104 PHE          HA  5.50   (#   159:20  Preassigned   2.56, 2.83 A)
 &rst
  ixpk= 159, nxpk= 20, iat=  -1,1635, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1637,1638,
 &end
#
#  91 CYS         HB+   91 CYS          HA  5.50   (#   160:20  Preassigned   2.34, 2.73 A)
 &rst
  ixpk= 160, nxpk= 20, iat=  -1,1431, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1433,1434,
 &end
#
#  95 PRO         HB+   91 CYS          HA  5.50   (#   161:20  Preassigned   4.29, 5.63 A)
 &rst
  ixpk= 161, nxpk= 20, iat=  -1,1431, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1489,1490,
 &end
#
# 115 ASP         HB-  114 PRO          HA  5.50   (#   162:20  Preassigned   4.00, 4.61 A)
 &rst
  ixpk= 162, nxpk= 20, iat=  -1,1797, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1805,1806,
 &end
#
# 114 PRO         HG+  114 PRO          HA  5.50   (#   163:20  Preassigned   2.86, 3.50 A)
 &rst
  ixpk= 163, nxpk= 20, iat=  -1,1797, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1791,1792,
 &end
#
# 115 ASP          HN  114 PRO          HA  4.00   (#   164:20  Preassigned   2.36, 2.48 A)
 &rst
  ixpk= 164, nxpk= 20, iat=1801,1797, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 115 ASP         HB+  114 PRO          HA  5.50   (#   165:20  Preassigned   4.00, 4.61 A)
 &rst
  ixpk= 165, nxpk= 20, iat=  -1,1797, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1805,1806,
 &end
#
# 114 PRO         HB+  114 PRO          HA  4.00   (#   166:20  Preassigned   2.30, 2.66 A)
 &rst
  ixpk= 166, nxpk= 20, iat=  -1,1797, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1794,1795,
 &end
#
# 114 PRO         HB-  114 PRO          HA  4.00   (#   167:20  Preassigned   2.30, 2.66 A)
 &rst
  ixpk= 167, nxpk= 20, iat=  -1,1797, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1794,1795,
 &end
#
# 104 PHE          HD  104 PHE          HA  4.00   (#   169:20  Preassigned   2.45, 3.43 A)
 &rst
  ixpk= 169, nxpk= 20, iat=  -1,1635, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1641,1649,
 &end
#
#  80 LEU         MDY  104 PHE          HA  5.50   (#   170:20  Preassigned   3.00, 5.57 A)
 &rst
  ixpk= 170, nxpk= 20, iat=  -1,1635, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1233,1234,1235,1237,1238,1239,
 &end
#
# 141 ALA          HN  138 TRP          HA  4.00   (#   171:20  Preassigned   2.96, 3.08 A)
 &rst
  ixpk= 171, nxpk= 20, iat=2239,2190, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 107 TRP         HE1  138 TRP          HA  5.50   (#   172:20  Preassigned   2.52, 3.02 A)
 &rst
  ixpk= 172, nxpk= 20, iat=1687,2190, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 138 TRP         HB-  138 TRP          HA  4.00   (#   173:20  Preassigned   2.55, 2.83 A)
 &rst
  ixpk= 173, nxpk= 20, iat=  -1,2190, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2192,2193,
 &end
#
# 141 ALA          MB  138 TRP          HA  4.00   (#   174:20  Preassigned   2.47, 3.34 A)
 &rst
  ixpk= 174, nxpk= 20, iat=  -1,2190, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=2243,2244,2245,
 &end
#
# 138 TRP          HN  138 TRP          HA  5.50   (#   175:20  Preassigned   2.83, 2.86 A)
 &rst
  ixpk= 175, nxpk= 20, iat=2188,2190, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 107 TRP         HD1  138 TRP          HA  5.50   (#   176:20  Preassigned   2.56, 4.28 A)
 &rst
  ixpk= 176, nxpk= 20, iat=1685,2190, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  68 ILE         QD1   68 ILE          HA  5.50   (#   177:20  Preassigned   2.18, 3.63 A)
 &rst
  ixpk= 177, nxpk= 20, iat=  -1,1009, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1020,1021,1022,
 &end
#
#  68 ILE          HB   68 ILE          HA  4.00   (#   178:20  Preassigned   2.42, 2.47 A)
 &rst
  ixpk= 178, nxpk= 20, iat=1011,1009, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 139 ALA          HN  138 TRP          HA  5.50   (#   179:20  Preassigned   3.60, 3.62 A)
 &rst
  ixpk= 179, nxpk= 20, iat=2212,2190, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 142 LEU          HG  138 TRP          HA  5.50   (#   180:20  Preassigned   4.15, 4.45 A)
 &rst
  ixpk= 180, nxpk= 20, iat=2256,2190, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  52 VAL          HN   51 SER          HA  5.50   (#   181:20  Preassigned   3.63, 3.66 A)
 &rst
  ixpk= 181, nxpk= 20, iat= 772, 763, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  51 SER         HB-   51 SER          HA  4.00   (#   183:20  Preassigned   2.43, 2.75 A)
 &rst
  ixpk= 183, nxpk= 20, iat=  -1, 763, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 765, 766,
 &end
#
#  50 ILE         QG2   51 SER          HA  4.00   (#   184:20  Preassigned   3.31, 4.63 A)
 &rst
  ixpk= 184, nxpk= 20, iat=  -1, 763, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 748, 749, 750,
 &end
#
#  54 ALA          MB   51 SER          HA  4.00   (#   185:20  Preassigned   2.72, 4.25 A)
 &rst
  ixpk= 185, nxpk= 20, iat=  -1, 763, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 802, 803, 804,
 &end
#
#  51 SER          HN   51 SER          HA  4.00   (#   186:20  Preassigned   2.78, 2.79 A)
 &rst
  ixpk= 186, nxpk= 20, iat= 761, 763, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  69 SER          HN   68 ILE          HA  4.00   (#   187:20  Preassigned   2.20, 2.34 A)
 &rst
  ixpk= 187, nxpk= 20, iat=1026,1009, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  68 ILE        HG1+   68 ILE          HA  4.00   (#   188:20  Preassigned   2.25, 3.12 A)
 &rst
  ixpk= 188, nxpk= 20, iat=  -1,1009, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1017,1018,
 &end
#
#  72 LEU         MDY   68 ILE          HA  4.00   (#   189:20  Preassigned   2.18, 4.32 A)
 &rst
  ixpk= 189, nxpk= 20, iat=  -1,1009, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#  72 LEU         MDX   68 ILE          HA  5.50   (#   190:20  Preassigned   2.18, 4.32 A)
 &rst
  ixpk= 190, nxpk= 20, iat=  -1,1009, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#  68 ILE          HN   68 ILE          HA  5.50   (#   191:20  Preassigned   2.81, 2.87 A)
 &rst
  ixpk= 191, nxpk= 20, iat=1007,1009, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  54 ALA          HN   51 SER          HA  5.50   (#   192:20  Preassigned   3.71, 4.13 A)
 &rst
  ixpk= 192, nxpk= 20, iat= 798, 763, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  51 SER         HB+   51 SER          HA  4.00   (#   193:20  Preassigned   2.43, 2.75 A)
 &rst
  ixpk= 193, nxpk= 20, iat=  -1, 763, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 765, 766,
 &end
#
#  84 LYS          HN   84 LYS          HA  5.50   (#   194:20  Preassigned   2.79, 2.85 A)
 &rst
  ixpk= 194, nxpk= 20, iat=1289,1291, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  87 ILE          HB   84 LYS          HA  5.50   (#   195:20  Preassigned   2.34, 2.79 A)
 &rst
  ixpk= 195, nxpk= 20, iat=1356,1291, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  84 LYS         HB+   84 LYS          HA  5.50   (#   196:20  Preassigned   2.35, 2.60 A)
 &rst
  ixpk= 196, nxpk= 20, iat=  -1,1291, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1293,1294,
 &end
#
#  84 LYS         HB-   84 LYS          HA  4.00   (#   197:20  Preassigned   2.35, 2.60 A)
 &rst
  ixpk= 197, nxpk= 20, iat=  -1,1291, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1293,1294,
 &end
#
#   0 AMB    20-2:198   84 LYS          HA  4.00   (#   198:20      Single   Ambig  )
 &rst
  ixpk= 198, nxpk= 20, iat=  -1,1291, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1296,1297,1296,1297,
 &end
#
#  87 ILE         QD1   84 LYS          HA  4.00   (#   199:20  Preassigned   4.21, 4.82 A)
 &rst
  ixpk= 199, nxpk= 20, iat=  -1,1291, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=1365,1366,1367,
 &end
#
# 103 LEU         MDY   84 LYS          HA  4.00   (#   200:20  Preassigned   2.55, 4.50 A)
 &rst
  ixpk= 200, nxpk= 20, iat=  -1,1291, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
# 121 ARG         HB-  121 ARG          HA  4.00   (#   201:20  Preassigned   2.30, 2.73 A)
 &rst
  ixpk= 201, nxpk= 20, iat=  -1,1907, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1909,1910,
 &end
#
# 121 ARG         HB+  121 ARG          HA  4.00   (#   202:20  Preassigned   2.30, 2.73 A)
 &rst
  ixpk= 202, nxpk= 20, iat=  -1,1907, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1909,1910,
 &end
#
#  48 THR         MG2  121 ARG          HA  4.00   (#   203:20  Preassigned   2.35, 3.16 A)
 &rst
  ixpk= 203, nxpk= 20, iat=  -1,1907, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 724, 725, 726,
 &end
#
#   0 AMB    20-2:205    0 AMB    20-1:205  2.80   (#   205:20      Double   Ambig  )
 &rst
  ixpk= 205, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
 igr1=2141,2142,2143,1044,1045,
 igr2=2089,1039,
 &end
#
#  70 ARG         HD+   70 ARG          HA  5.50   (#   207:20  Preassigned   2.17, 4.46 A)
 &rst
  ixpk= 207, nxpk= 20, iat=  -1,1039, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1047,1048,
 &end
#
#   0 AMB    20-2:209    0 AMB    20-1:209  4.00   (#   209:20      Double   Ambig  )
 &rst
  ixpk= 209, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.87, r4= 6.62,
 igr1=1476,1477,1478, 333, 334,
 igr2=1039,2089,
 &end
#
#  73 CYS         HB+   70 ARG          HA  5.50   (#   210:20  Preassigned   2.21, 3.18 A)
 &rst
  ixpk= 210, nxpk= 20, iat=  -1,1039, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1108,1109,
 &end
#
#  87 ILE          HN   84 LYS          HA  5.50   (#   212:20  Preassigned   2.80, 2.94 A)
 &rst
  ixpk= 212, nxpk= 20, iat=1352,1291, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 125 ALA          MB  122 GLU          HA  4.00   (#   213:20  Preassigned   2.41, 3.47 A)
 &rst
  ixpk= 213, nxpk= 20, iat=  -1,1931, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=1982,1983,1984,
 &end
#
# 122 GLU         HB-  122 GLU          HA  5.50   (#   214:20  Preassigned   2.35, 2.70 A)
 &rst
  ixpk= 214, nxpk= 20, iat=  -1,1931, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1933,1934,
 &end
#
#  22 LEU         MDX  132 GLU          HA  5.50   (#   215:20  Preassigned   2.06, 3.82 A)
 &rst
  ixpk= 215, nxpk= 20, iat=  -1,2089, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
# 132 GLU          HN  132 GLU          HA  5.50   (#   216:20  Preassigned   2.88, 2.92 A)
 &rst
  ixpk= 216, nxpk= 20, iat=2087,2089, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 132 GLU         HG+  132 GLU          HA  4.00   (#   217:20  Preassigned   2.42, 2.95 A)
 &rst
  ixpk= 217, nxpk= 20, iat=  -1,2089, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2094,2095,
 &end
#
#  22 LEU         MDY  132 GLU          HA  2.80   (#   218:20  Preassigned   2.06, 3.82 A)
 &rst
  ixpk= 218, nxpk= 20, iat=  -1,2089, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   0 AMB    20-2:219  122 GLU          HA  4.00   (#   219:20      Single   Ambig  )
 &rst
  ixpk= 219, nxpk= 20, iat=  -1,1931, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1929,1978,
 &end
#
#   0 AMB    20-2:220  122 GLU          HA  5.50   (#   220:20      Single   Ambig  )
 &rst
  ixpk= 220, nxpk= 20, iat=  -1,1931, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1944,1988,
 &end
#
# 122 GLU         HG+  122 GLU          HA  5.50   (#   221:20  Preassigned   2.39, 3.28 A)
 &rst
  ixpk= 221, nxpk= 20, iat=  -1,1931, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1936,1937,
 &end
#
# 122 GLU         HG-  122 GLU          HA  4.00   (#   222:20  Preassigned   2.39, 3.28 A)
 &rst
  ixpk= 222, nxpk= 20, iat=  -1,1931, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1936,1937,
 &end
#
# 122 GLU         HB+  122 GLU          HA  4.00   (#   223:20  Preassigned   2.35, 2.70 A)
 &rst
  ixpk= 223, nxpk= 20, iat=  -1,1931, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1933,1934,
 &end
#
# 134 SER          HN  133 ARG          HA  6.00   (#   224:20  Preassigned   3.59, 3.61 A)
 &rst
  ixpk= 224, nxpk= 20, iat=2126,2104, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 110 GLU          HA  106 HIS          HA  4.00   (#   226:20  Preassigned   2.04, 2.72 A)
 &rst
  ixpk= 226, nxpk= 20, iat=1729,1662, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 136 ARG         HB+  136 ARG          HA  4.00   (#   227:20  Preassigned   2.29, 2.73 A)
 &rst
  ixpk= 227, nxpk= 20, iat=  -1,2149, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2151,2152,
 &end
#
# 136 ARG         HB-  136 ARG          HA  5.50   (#   228:20  Preassigned   2.29, 2.73 A)
 &rst
  ixpk= 228, nxpk= 20, iat=  -1,2149, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2151,2152,
 &end
#
# 136 ARG          HN  136 ARG          HA  5.50   (#   229:20  Preassigned   2.84, 2.86 A)
 &rst
  ixpk= 229, nxpk= 20, iat=2147,2149, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 117 TYR          HN  117 TYR          HA  4.00   (#   230:20  Preassigned   2.19, 2.64 A)
 &rst
  ixpk= 230, nxpk= 20, iat=1827,1829, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    20-2:231  117 TYR          HA  5.50   (#   231:20      Single   Ambig  )
 &rst
  ixpk= 231, nxpk= 20, iat=  -1,1829, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1970,1968,1972,
 &end
#
# 118 ARG          HA  117 TYR          HA  5.50   (#   232:20  Preassigned   4.28, 4.48 A)
 &rst
  ixpk= 232, nxpk= 20, iat=1850,1829, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 118 ARG          HN  117 TYR          HA  4.00   (#   233:20  Preassigned   2.09, 2.86 A)
 &rst
  ixpk= 233, nxpk= 20, iat=1848,1829, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 117 TYR          HD  117 TYR          HA  4.00   (#   234:20  Preassigned   2.20, 3.47 A)
 &rst
  ixpk= 234, nxpk= 20, iat=  -1,1829, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1835,1844,
 &end
#
# 117 TYR         HB-  117 TYR          HA  5.50   (#   235:20  Preassigned   2.36, 2.74 A)
 &rst
  ixpk= 235, nxpk= 20, iat=  -1,1829, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1831,1832,
 &end
#
# 117 TYR         HB+  117 TYR          HA  5.50   (#   236:20  Preassigned   2.36, 2.74 A)
 &rst
  ixpk= 236, nxpk= 20, iat=  -1,1829, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1831,1832,
 &end
#
#  99 GLY          HN   98 ARG          HA  4.00   (#   237:20  Preassigned   2.34, 2.90 A)
 &rst
  ixpk= 237, nxpk= 20, iat=1552,1530, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 100 LYS          HN   98 ARG          HA  6.00   (#   238:20  Preassigned   3.07, 3.68 A)
 &rst
  ixpk= 238, nxpk= 20, iat=1559,1530, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  98 ARG         HD+   98 ARG          HA  5.50   (#   239:20  Preassigned   3.94, 4.57 A)
 &rst
  ixpk= 239, nxpk= 20, iat=  -1,1530, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1538,1539,
 &end
#
#  98 ARG         HB-   98 ARG          HA  4.00   (#   240:20  Preassigned   2.21, 2.44 A)
 &rst
  ixpk= 240, nxpk= 20, iat=  -1,1530, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1532,1533,
 &end
#
#  98 ARG         HG+   98 ARG          HA  5.50   (#   241:20  Preassigned   3.63, 3.91 A)
 &rst
  ixpk= 241, nxpk= 20, iat=  -1,1530, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1535,1536,
 &end
#
#   0 AMB    20-2:242   98 ARG          HA  5.50   (#   242:20      Single   Ambig  )
 &rst
  ixpk= 242, nxpk= 20, iat=  -1,1530, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1587,1588,1589,1591,1592,1593,1587,1588,1589,1591,
      1592,1593,
 &end
#
#  98 ARG          HN   98 ARG          HA  5.50   (#   243:20  Preassigned   2.69, 2.81 A)
 &rst
  ixpk= 243, nxpk= 20, iat=1528,1530, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 136 ARG         HG-  133 ARG          HA  5.50   (#   245:20  Preassigned   2.30, 4.75 A)
 &rst
  ixpk= 245, nxpk= 20, iat=  -1,2104, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2154,2155,
 &end
#
# 133 ARG         HG-  133 ARG          HA  4.00   (#   246:20  Preassigned   2.36, 2.99 A)
 &rst
  ixpk= 246, nxpk= 20, iat=  -1,2104, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2109,2110,
 &end
#
# 133 ARG          HN  133 ARG          HA  4.00   (#   247:20      Unique   2.81, 2.86 A)
 &rst
  ixpk= 247, nxpk= 20, iat=2102,2104, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    20-2:248  133 ARG          HA  5.50   (#   248:20      Single   Ambig  )
 &rst
  ixpk= 248, nxpk= 20, iat=  -1,2104, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2157,2158,2157,2158,
 &end
#
# 133 ARG         HG+  133 ARG          HA  5.50   (#   249:20  Preassigned   2.36, 2.99 A)
 &rst
  ixpk= 249, nxpk= 20, iat=  -1,2104, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2109,2110,
 &end
#
# 106 HIS          HN  106 HIS          HA  5.50   (#   250:20  Preassigned   2.74, 2.81 A)
 &rst
  ixpk= 250, nxpk= 20, iat=1660,1662, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 136 ARG         HG+  136 ARG          HA  4.00   (#   251:20  Preassigned   2.36, 3.15 A)
 &rst
  ixpk= 251, nxpk= 20, iat=  -1,2149, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2154,2155,
 &end
#
# 139 ALA          MB  136 ARG          HA  4.00   (#   252:20  Preassigned   2.34, 3.33 A)
 &rst
  ixpk= 252, nxpk= 20, iat=  -1,2149, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=2216,2217,2218,
 &end
#
# 139 ALA          HN  136 ARG          HA  5.50   (#   253:20  Preassigned   3.10, 3.33 A)
 &rst
  ixpk= 253, nxpk= 20, iat=2212,2149, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    20-2:254   26 TYR          HA  5.50   (#   254:20      Single   Ambig  )
 &rst
  ixpk= 254, nxpk= 20, iat=  -1, 410, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 391, 392,2216,2217,2218,
 &end
#
#  27 HIS          HN   26 TYR          HA  5.50   (#   255:20  Preassigned   3.29, 3.50 A)
 &rst
  ixpk= 255, nxpk= 20, iat= 429, 410, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  88 GLU          HN   88 GLU          HA  5.50   (#   256:20  Preassigned   2.80, 2.84 A)
 &rst
  ixpk= 256, nxpk= 20, iat=1371,1373, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  88 GLU         HG+   88 GLU          HA  4.00   (#   257:20  Preassigned   2.38, 2.92 A)
 &rst
  ixpk= 257, nxpk= 20, iat=  -1,1373, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1378,1379,
 &end
#
#   0 AMB    20-2:258   88 GLU          HA  2.80   (#   258:20      Single   Ambig  )
 &rst
  ixpk= 258, nxpk= 20, iat=  -1,1373, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1375,1376,1375,1376,
 &end
#
#   0 AMB    20-2:259   26 TYR          HA  5.50   (#   259:20      Single   Ambig  )
 &rst
  ixpk= 259, nxpk= 20, iat=  -1, 410, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 418, 423, 442,
 &end
#
#  26 TYR          HN   26 TYR          HA  4.00   (#   260:20  Preassigned   2.84, 2.91 A)
 &rst
  ixpk= 260, nxpk= 20, iat= 408, 410, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  26 TYR          HD   26 TYR          HA  2.80   (#   261:20  Preassigned   2.06, 3.41 A)
 &rst
  ixpk= 261, nxpk= 20, iat=  -1, 410, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 416, 425,
 &end
#
#  26 TYR         HB+   26 TYR          HA  4.00   (#   262:20  Preassigned   2.42, 2.75 A)
 &rst
  ixpk= 262, nxpk= 20, iat=  -1, 410, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 412, 413,
 &end
#
# 111 CYS         HB-  111 CYS          HA  4.00   (#   263:20  Preassigned   2.45, 2.78 A)
 &rst
  ixpk= 263, nxpk= 20, iat=  -1,1744, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1746,1747,
 &end
#
#  88 GLU         HG-   88 GLU          HA  4.00   (#   264:20  Preassigned   2.38, 2.92 A)
 &rst
  ixpk= 264, nxpk= 20, iat=  -1,1373, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1378,1379,
 &end
#
#  71 ARG          HN   71 ARG          HA  5.50   (#   265:20      Unique   2.81, 2.85 A)
 &rst
  ixpk= 265, nxpk= 20, iat=1061,1063, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  71 ARG         HB-   71 ARG          HA  4.00   (#   266:20  Preassigned   2.43, 2.74 A)
 &rst
  ixpk= 266, nxpk= 20, iat=  -1,1063, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1065,1066,
 &end
#
#  71 ARG         HG+   71 ARG          HA  4.00   (#   267:20  Preassigned   2.47, 3.16 A)
 &rst
  ixpk= 267, nxpk= 20, iat=  -1,1063, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1068,1069,
 &end
#
#  71 ARG         HB+   71 ARG          HA  4.00   (#   268:20      Unique   2.43, 2.74 A)
 &rst
  ixpk= 268, nxpk= 20, iat=  -1,1063, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1065,1066,
 &end
#
#   0 AMB    20-2:269    0 AMB    20-1:269  4.00   (#   269:20      Double   Ambig  )
 &rst
  ixpk= 269, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=2171,1085,
 igr2=2173,1063,
 &end
#
# 140 GLN          HN  137 GLN          HA  5.50   (#   270:20      Unique   2.98, 3.12 A)
 &rst
  ixpk= 270, nxpk= 20, iat=2222,2173, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 112 GLU          HN  111 CYS          HA  4.00   (#   271:20  Preassigned   2.18, 2.32 A)
 &rst
  ixpk= 271, nxpk= 20, iat=1753,1744, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 111 CYS         HB+  111 CYS          HA  5.50   (#   272:20  Preassigned   2.45, 2.78 A)
 &rst
  ixpk= 272, nxpk= 20, iat=  -1,1744, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1746,1747,
 &end
#
#  91 CYS          HN   90 LEU          HA  5.50   (#   273:20  Preassigned   3.61, 3.65 A)
 &rst
  ixpk= 273, nxpk= 20, iat=1429,1412, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 140 GLN         HB-  137 GLN          HA  4.00   (#   274:20  Preassigned   2.20, 3.20 A)
 &rst
  ixpk= 274, nxpk= 20, iat=  -1,2173, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2226,2227,
 &end
#
# 137 GLN         HG+  137 GLN          HA  5.50   (#   275:20  Preassigned   2.52, 3.02 A)
 &rst
  ixpk= 275, nxpk= 20, iat=  -1,2173, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2178,2179,
 &end
#
#   0 AMB    20-2:276  137 GLN          HA  4.00   (#   276:20      Single   Ambig  )
 &rst
  ixpk= 276, nxpk= 20, iat=  -1,2173, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=2229,2230,2178,2179,
 &end
#
# 140 GLN         HG-  137 GLN          HA  4.00   (#   277:20  Preassigned   2.32, 3.94 A)
 &rst
  ixpk= 277, nxpk= 20, iat=  -1,2173, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2229,2230,
 &end
#
# 118 ARG          HN  118 ARG          HA  4.00   (#   278:20  Preassigned   2.21, 2.59 A)
 &rst
  ixpk= 278, nxpk= 20, iat=1848,1850, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    20-2:279    0 AMB    20-1:279  4.00   (#   279:20      Double   Ambig  )
 &rst
  ixpk= 279, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
 igr1= 522, 523, 524, 526, 527, 528,1855,1856,
 igr2= 292,1850,
 &end
#
#   7 VAL         MGY   20 GLU          HA  4.00   (#   280:20  Preassigned   2.30, 4.90 A)
 &rst
  ixpk= 280, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 113, 114, 115, 117, 118, 119,
 &end
#
#  20 GLU         HB+   20 GLU          HA  5.50   (#   281:20  Preassigned   2.29, 2.49 A)
 &rst
  ixpk= 281, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 294, 295,
 &end
#
#  20 GLU          HN   20 GLU          HA  5.50   (#   283:20  Preassigned   2.79, 2.82 A)
 &rst
  ixpk= 283, nxpk= 20, iat= 290, 292, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  32 VAL         MGX   20 GLU          HA  4.00   (#   284:20  Preassigned   2.12, 3.72 A)
 &rst
  ixpk= 284, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 522, 523, 524, 526, 527, 528,
 &end
#
#  23 LEU          HN   23 LEU          HA  5.50   (#   289:20  Preassigned   2.83, 2.85 A)
 &rst
  ixpk= 289, nxpk= 20, iat= 348, 350, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  23 LEU         HB+   23 LEU          HA  5.50   (#   290:20  Preassigned   2.57, 2.82 A)
 &rst
  ixpk= 290, nxpk= 20, iat=  -1, 350, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 352, 353,
 &end
#
#  26 TYR          HN   23 LEU          HA  5.50   (#   291:20  Preassigned   3.34, 3.46 A)
 &rst
  ixpk= 291, nxpk= 20, iat= 408, 350, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 135 ALA          MB   23 LEU          HA  4.00   (#   292:20  Preassigned   2.83, 4.58 A)
 &rst
  ixpk= 292, nxpk= 20, iat=  -1, 350, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=2141,2142,2143,
 &end
#
#  23 LEU         MDY   23 LEU          HA  4.00   (#   293:20  Preassigned   2.15, 3.80 A)
 &rst
  ixpk= 293, nxpk= 20, iat=  -1, 350, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 357, 358, 359, 361, 362, 363,
 &end
#
#  26 TYR          HD   23 LEU          HA  5.50   (#   294:20  Preassigned   2.23, 4.65 A)
 &rst
  ixpk= 294, nxpk= 20, iat=  -1, 350, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 416, 425,
 &end
#
#  23 LEU         MDX   23 LEU          HA  4.00   (#   295:20  Preassigned   2.15, 3.80 A)
 &rst
  ixpk= 295, nxpk= 20, iat=  -1, 350, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 357, 358, 359, 361, 362, 363,
 &end
#
#  85 ARG         HG-   85 ARG          HA  5.50   (#   296:20  Preassigned   2.52, 3.30 A)
 &rst
  ixpk= 296, nxpk= 20, iat=  -1,1313, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1318,1319,
 &end
#
#  93 MET         HG+   92 GLU          HA  5.50   (#   298:20  Preassigned   5.49, 6.18 A)
 &rst
  ixpk= 298, nxpk= 20, iat=  -1,1442, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1462,1463,
 &end
#
#  25 ARG          HN   25 ARG          HA  2.80   (#   299:20  Preassigned   2.80, 2.82 A)
 &rst
  ixpk= 299, nxpk= 20, iat= 384, 386, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  25 ARG         HG+   25 ARG          HA  4.00   (#   301:20  Preassigned   2.35, 2.91 A)
 &rst
  ixpk= 301, nxpk= 20, iat=  -1, 386, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 391, 392,
 &end
#
# 117 TYR          HA  118 ARG          HA  5.50   (#   302:20  Preassigned   4.28, 4.48 A)
 &rst
  ixpk= 302, nxpk= 20, iat=1829,1850, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 119 LYS          HN  118 ARG          HA  4.00   (#   303:20  Preassigned   2.83, 3.07 A)
 &rst
  ixpk= 303, nxpk= 20, iat=1872,1850, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    20-2:304  118 ARG          HA  5.50   (#   304:20      Single   Ambig  )
 &rst
  ixpk= 304, nxpk= 20, iat=  -1,1850, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1858,1859,1858,1859,
 &end
#
# 118 ARG         HG+  118 ARG          HA  5.50   (#   305:20  Preassigned   2.46, 3.14 A)
 &rst
  ixpk= 305, nxpk= 20, iat=  -1,1850, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1855,1856,
 &end
#
#  77 ASP          HN   76 TYR          HA  5.50   (#   306:20  Preassigned   2.29, 2.49 A)
 &rst
  ixpk= 306, nxpk= 20, iat=1174,1155, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   4 ASN         HB+   76 TYR          HA  5.50   (#   307:20  Preassigned   2.09, 3.15 A)
 &rst
  ixpk= 307, nxpk= 20, iat=  -1,1155, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  59,  60,
 &end
#
#  76 TYR         HB-   76 TYR          HA  5.50   (#   308:20  Preassigned   2.39, 2.74 A)
 &rst
  ixpk= 308, nxpk= 20, iat=  -1,1155, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1157,1158,
 &end
#
#  76 TYR         HB+   76 TYR          HA  5.50   (#   309:20  Preassigned   2.39, 2.74 A)
 &rst
  ixpk= 309, nxpk= 20, iat=  -1,1155, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1157,1158,
 &end
#
#  96 GLU         HB-   96 GLU          HA  4.00   (#   310:20  Preassigned   2.38, 2.54 A)
 &rst
  ixpk= 310, nxpk= 20, iat=  -1,1498, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1500,1501,
 &end
#
#  96 GLU          HN   96 GLU          HA  4.00   (#   311:20  Preassigned   2.78, 2.86 A)
 &rst
  ixpk= 311, nxpk= 20, iat=1496,1498, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  88 GLU         HG+   85 ARG          HA  5.50   (#   313:20  Preassigned   3.36, 4.62 A)
 &rst
  ixpk= 313, nxpk= 20, iat=  -1,1313, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1378,1379,
 &end
#
#  85 ARG         HB+   85 ARG          HA  4.00   (#   314:20  Preassigned   2.36, 2.64 A)
 &rst
  ixpk= 314, nxpk= 20, iat=  -1,1313, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1315,1316,
 &end
#
#   0 AMB    20-2:316   85 ARG          HA  5.50   (#   316:20      Single   Ambig  )
 &rst
  ixpk= 316, nxpk= 20, iat=  -1,1313, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1318,1319,1296,1297,
 &end
#
#  85 ARG          HN   85 ARG          HA  5.50   (#   317:20  Preassigned   2.81, 2.84 A)
 &rst
  ixpk= 317, nxpk= 20, iat=1311,1313, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  88 GLU         HG-   85 ARG          HA  5.50   (#   318:20      Unique   3.36, 4.62 A)
 &rst
  ixpk= 318, nxpk= 20, iat=  -1,1313, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1378,1379,
 &end
#
#   0 AMB    20-2:319   85 ARG          HA  2.80   (#   319:20      Single   Ambig  )
 &rst
  ixpk= 319, nxpk= 20, iat=  -1,1313, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1375,1376,1375,1376,
 &end
#
# 140 GLN         HB-  140 GLN          HA  4.00   (#   320:20  Preassigned   2.20, 2.68 A)
 &rst
  ixpk= 320, nxpk= 20, iat=  -1,2224, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2226,2227,
 &end
#
# 141 ALA          HN  140 GLN          HA  5.50   (#   321:20  Preassigned   3.56, 3.59 A)
 &rst
  ixpk= 321, nxpk= 20, iat=2239,2224, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 143 ASN        HD2-  140 GLN          HA  5.50   (#   322:20  Preassigned   3.06, 4.39 A)
 &rst
  ixpk= 322, nxpk= 20, iat=  -1,2224, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2277,2278,
 &end
#
#   0 AMB    20-2:323  140 GLN          HA  5.50   (#   323:20      Single   Ambig  )
 &rst
  ixpk= 323, nxpk= 20, iat=  -1,2224, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=2216,2217,2218,2253,2254,
 &end
#
# 144 ALA          MB  140 GLN          HA  5.50   (#   324:20  Preassigned   4.65, 6.03 A)
 &rst
  ixpk= 324, nxpk= 20, iat=  -1,2224, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=2286,2287,2288,
 &end
#
# 130 LEU         MDY  130 LEU          HA  2.80   (#   325:20  Preassigned   2.22, 3.80 A)
 &rst
  ixpk= 325, nxpk= 20, iat=  -1,2051, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2058,2059,2060,2062,2063,2064,
 &end
#
# 104 PHE          HD  131 LEU          HA  5.50   (#   326:20  Preassigned   2.57, 4.91 A)
 &rst
  ixpk= 326, nxpk= 20, iat=  -1,2070, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1641,1649,
 &end
#
#  92 GLU          HN   92 GLU          HA  4.00   (#   330:20  Preassigned   2.81, 2.84 A)
 &rst
  ixpk= 330, nxpk= 20, iat=1440,1442, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  25 ARG         HG-   25 ARG          HA  2.80   (#   331:20  Preassigned   2.35, 2.91 A)
 &rst
  ixpk= 331, nxpk= 20, iat=  -1, 386, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 391, 392,
 &end
#
#   0 AMB    20-2:332    0 AMB    20-1:332  5.50   (#   332:20      Double   Ambig  )
 &rst
  ixpk= 332, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1455, 408,
 igr2=1412, 386,
 &end
#
#  90 LEU          HN   90 LEU          HA  5.50   (#   333:20  Preassigned   2.81, 2.84 A)
 &rst
  ixpk= 333, nxpk= 20, iat=1410,1412, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  90 LEU         HB-   90 LEU          HA  4.00   (#   334:20  Preassigned   2.46, 2.81 A)
 &rst
  ixpk= 334, nxpk= 20, iat=  -1,1412, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1414,1415,
 &end
#
#  90 LEU         MDY   90 LEU          HA  4.00   (#   335:20  Preassigned   2.20, 3.91 A)
 &rst
  ixpk= 335, nxpk= 20, iat=  -1,1412, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1419,1420,1421,1423,1424,1425,
 &end
#
#  90 LEU          HG   90 LEU          HA  5.50   (#   336:20  Preassigned   2.25, 2.61 A)
 &rst
  ixpk= 336, nxpk= 20, iat=1417,1412, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 122 GLU          HN  120 SER          HA  5.50   (#   337:20  Preassigned   4.06, 4.31 A)
 &rst
  ixpk= 337, nxpk= 20, iat=1929,1896, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 120 SER         HB+  120 SER          HA  4.00   (#   338:20  Preassigned   2.38, 2.72 A)
 &rst
  ixpk= 338, nxpk= 20, iat=  -1,1896, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1898,1899,
 &end
#
#  76 TYR          HD   76 TYR          HA  5.50   (#   339:20  Preassigned   2.77, 3.55 A)
 &rst
  ixpk= 339, nxpk= 20, iat=  -1,1155, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1161,1170,
 &end
#
#   0 AMB    20-2:340   76 TYR          HA  4.00   (#   340:20      Single   Ambig  )
 &rst
  ixpk= 340, nxpk= 20, iat=  -1,1155, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=1153,1148,1149,
 &end
#
#   4 ASN         HB-   76 TYR          HA  4.00   (#   341:20  Preassigned   2.09, 3.15 A)
 &rst
  ixpk= 341, nxpk= 20, iat=  -1,1155, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=  59,  60,
 &end
#
#  85 ARG         HD-   85 ARG          HA  5.50   (#   342:20  Preassigned   2.17, 4.51 A)
 &rst
  ixpk= 342, nxpk= 20, iat=  -1,1313, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1321,1322,
 &end
#
#   0 AMB    20-2:343   72 LEU          HA  4.00   (#   343:20      Single   Ambig  )
 &rst
  ixpk= 343, nxpk= 20, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1085,1104,
 &end
#
#  72 LEU         MDY   72 LEU          HA  4.00   (#   345:20  Preassigned   2.16, 3.92 A)
 &rst
  ixpk= 345, nxpk= 20, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#   0 AMB    20-2:346    0 AMB    20-1:346  5.50   (#   346:20      Double   Ambig  )
 &rst
  ixpk= 346, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1459,1460,2229,2230,
 igr2=1457,2224,
 &end
#
#   0 AMB    20-2:347    0 AMB    20-1:347  4.00   (#   347:20      Double   Ambig  )
 &rst
  ixpk= 347, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
 igr1=1462,1463,2229,2230,
 igr2=1457,2224,
 &end
#
# 143 ASN         HB+  140 GLN          HA  5.50   (#   349:20  Preassigned   2.08, 2.67 A)
 &rst
  ixpk= 349, nxpk= 20, iat=  -1,2224, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2272,2273,
 &end
#
# 143 ASN         HB-  140 GLN          HA  5.50   (#   350:20  Preassigned   2.08, 2.67 A)
 &rst
  ixpk= 350, nxpk= 20, iat=  -1,2224, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2272,2273,
 &end
#
# 131 LEU         MDY  131 LEU          HA  5.50   (#   351:20  Preassigned   2.10, 4.49 A)
 &rst
  ixpk= 351, nxpk= 20, iat=  -1,2070, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2077,2078,2079,2081,2082,2083,
 &end
#
# 131 LEU          HN    0 AMB    20-1:352  5.50   (#   352:20      Single   Ambig  )
 &rst
  ixpk= 352, nxpk= 20, iat=2068,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2070,2051,
 &end
#
#  27 HIS          HN   24 GLN          HA  5.50   (#   353:20  Preassigned   2.92, 3.25 A)
 &rst
  ixpk= 353, nxpk= 20, iat= 429, 369, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 131 LEU         MDY  131 LEU          HA  4.00   (#   354:20  Preassigned   2.10, 4.49 A)
 &rst
  ixpk= 354, nxpk= 20, iat=  -1,2070, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=2077,2078,2079,2081,2082,2083,
 &end
#
#  24 GLN          HN   24 GLN          HA  4.00   (#   355:20  Preassigned   2.80, 2.83 A)
 &rst
  ixpk= 355, nxpk= 20, iat= 367, 369, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    20-2:356   24 GLN          HA  4.00   (#   356:20      Single   Ambig  )
 &rst
  ixpk= 356, nxpk= 20, iat=  -1, 369, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 379, 380, 379, 380,
 &end
#
#   0 AMB    20-2:357   24 GLN          HA  4.00   (#   357:20      Single   Ambig  )
 &rst
  ixpk= 357, nxpk= 20, iat=  -1, 369, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 374, 375, 374, 375,
 &end
#
#   0 AMB    20-2:358    0 AMB    20-1:358  5.50   (#   358:20      Double   Ambig  )
 &rst
  ixpk= 358, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 887, 348,
 igr2= 908, 369,
 &end
#
#  22 LEU         MDY   22 LEU          HA  5.50   (#   359:20  Preassigned   2.12, 3.83 A)
 &rst
  ixpk= 359, nxpk= 20, iat=  -1, 331, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#  22 LEU         MDX   22 LEU          HA  2.80   (#   360:20  Preassigned   2.12, 3.83 A)
 &rst
  ixpk= 360, nxpk= 20, iat=  -1, 331, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#  58 LEU         MDY   22 LEU          HA  4.00   (#   361:20  Preassigned   2.21, 4.69 A)
 &rst
  ixpk= 361, nxpk= 20, iat=  -1, 331, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
#  22 LEU          HN   22 LEU          HA  5.50   (#   362:20  Preassigned   2.86, 2.88 A)
 &rst
  ixpk= 362, nxpk= 20, iat= 329, 331, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  22 LEU         HB-   22 LEU          HA  4.00   (#   363:20  Preassigned   2.55, 2.82 A)
 &rst
  ixpk= 363, nxpk= 20, iat=  -1, 331, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 333, 334,
 &end
#
#  63 HIS          HN   63 HIS          HA  4.00   (#   364:20  Preassigned   2.81, 2.92 A)
 &rst
  ixpk= 364, nxpk= 20, iat= 928, 930, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  75 ASN        HD2-   72 LEU          HA  5.50   (#   365:20  Preassigned   4.13, 5.18 A)
 &rst
  ixpk= 365, nxpk= 20, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1148,1149,
 &end
#
#  72 LEU         MDX   72 LEU          HA  5.50   (#   366:20  Preassigned   2.16, 3.92 A)
 &rst
  ixpk= 366, nxpk= 20, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#   0 AMB    20-2:367    0 AMB    20-1:367  5.50   (#   367:20      Double   Ambig  )
 &rst
  ixpk= 367, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1139, 945,
 igr2=1087, 947,
 &end
#
#  75 ASN        HD2+   72 LEU          HA  5.50   (#   368:20  Preassigned   4.13, 5.18 A)
 &rst
  ixpk= 368, nxpk= 20, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1148,1149,
 &end
#
#  93 MET          HN   93 MET          HA  5.50   (#   369:20  Preassigned   2.85, 2.88 A)
 &rst
  ixpk= 369, nxpk= 20, iat=1455,1457, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    20-2:370    0 AMB    20-1:370  5.50   (#   370:20      Double   Ambig  )
 &rst
  ixpk= 370, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1472, 675,
 igr2=1457, 947,
 &end
#
#  93 MET         HG-   93 MET          HA  4.00   (#   371:20  Preassigned   2.33, 2.83 A)
 &rst
  ixpk= 371, nxpk= 20, iat=  -1,1457, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1462,1463,
 &end
#
#  93 MET         HB-   93 MET          HA  5.50   (#   372:20  Preassigned   2.33, 2.76 A)
 &rst
  ixpk= 372, nxpk= 20, iat=  -1,1457, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1459,1460,
 &end
#
#  93 MET          HN   93 MET          HA  5.50   (#   373:20  Preassigned   2.85, 2.88 A)
 &rst
  ixpk= 373, nxpk= 20, iat=1455,1457, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  62 GLY          HN   61 GLU          HA  4.00   (#   374:20  Preassigned   2.22, 2.78 A)
 &rst
  ixpk= 374, nxpk= 20, iat= 921, 908, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  61 GLU          HN   61 GLU          HA  5.50   (#   375:20  Preassigned   2.25, 2.79 A)
 &rst
  ixpk= 375, nxpk= 20, iat= 906, 908, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  28 PRO          HA   24 GLN          HA  5.50   (#   376:20  Preassigned   3.34, 3.91 A)
 &rst
  ixpk= 376, nxpk= 20, iat= 456, 369, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    20-2:377   61 GLU          HA  5.50   (#   377:20      Single   Ambig  )
 &rst
  ixpk= 377, nxpk= 20, iat=  -1, 908, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 913, 914, 913, 914,
 &end
#
#  59 SER          HA   57 GLN          HA  5.50   (#   378:20  Preassigned   5.11, 5.44 A)
 &rst
  ixpk= 378, nxpk= 20, iat= 878, 842, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  65 ALA          HN   64 CYS          HA  2.80   (#   379:20  Preassigned   2.11, 2.21 A)
 &rst
  ixpk= 379, nxpk= 20, iat= 956, 947, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  64 CYS         HB-   64 CYS          HA  4.00   (#   380:20  Preassigned   2.36, 2.78 A)
 &rst
  ixpk= 380, nxpk= 20, iat=  -1, 947, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 949, 950,
 &end
#
#  64 CYS         HB+   64 CYS          HA  4.00   (#   381:20  Preassigned   2.36, 2.78 A)
 &rst
  ixpk= 381, nxpk= 20, iat=  -1, 947, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 949, 950,
 &end
#
#  67 GLN        HE2-   37 LEU          HA  5.50   (#   382:20  Preassigned   3.15, 4.61 A)
 &rst
  ixpk= 382, nxpk= 20, iat=  -1, 577, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1002,1003,
 &end
#
#  37 LEU         MDY   37 LEU          HA  2.80   (#   383:20  Preassigned   2.20, 3.86 A)
 &rst
  ixpk= 383, nxpk= 20, iat=  -1, 577, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 584, 585, 586, 588, 589, 590,
 &end
#
#  37 LEU          HN   37 LEU          HA  5.50   (#   384:20  Preassigned   2.82, 2.89 A)
 &rst
  ixpk= 384, nxpk= 20, iat= 575, 577, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    20-2:385   37 LEU          HA  4.00   (#   385:20      Single   Ambig  )
 &rst
  ixpk= 385, nxpk= 20, iat=  -1, 577, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 582, 579, 580,
 &end
#
#  37 LEU         MDX   37 LEU          HA  5.50   (#   386:20  Preassigned   2.20, 3.86 A)
 &rst
  ixpk= 386, nxpk= 20, iat=  -1, 577, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 584, 585, 586, 588, 589, 590,
 &end
#
#   0 AMB    20-2:387   57 GLN          HA  2.80   (#   387:20      Single   Ambig  )
 &rst
  ixpk= 387, nxpk= 20, iat=  -1, 842, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 840, 857,
 &end
#
#  56 HIS          HN   57 GLN          HA  5.50   (#   388:20  Preassigned   4.20, 4.67 A)
 &rst
  ixpk= 388, nxpk= 20, iat= 823, 842, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    20-2:389   57 GLN          HA  2.80   (#   389:20      Single   Ambig  )
 &rst
  ixpk= 389, nxpk= 20, iat=  -1, 842, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 844, 845, 847, 848,
 &end
#
#  86 HIS         HB+   86 HIS          HA  4.00   (#   390:20  Preassigned   2.38, 2.74 A)
 &rst
  ixpk= 390, nxpk= 20, iat=  -1,1337, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1339,1340,
 &end
#
#   0 AMB    20-2:391   86 HIS          HA  5.50   (#   391:20      Single   Ambig  )
 &rst
  ixpk= 391, nxpk= 20, iat=  -1,1337, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 584, 585, 586, 588, 589, 590,1419,1420,1421,1423,
      1424,1425,
 &end
#
#  59 SER          HN   59 SER          HA  5.50   (#   392:20  Preassigned   2.33, 2.78 A)
 &rst
  ixpk= 392, nxpk= 20, iat= 876, 878, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  61 GLU          HN   59 SER          HA  5.50   (#   393:20  Preassigned   3.39, 4.26 A)
 &rst
  ixpk= 393, nxpk= 20, iat= 906, 878, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  60 LEU          HN   59 SER          HA  4.00   (#   394:20  Preassigned   2.11, 2.36 A)
 &rst
  ixpk= 394, nxpk= 20, iat= 887, 878, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    20-2:395   59 SER          HA  4.00   (#   395:20      Single   Ambig  )
 &rst
  ixpk= 395, nxpk= 20, iat=  -1, 878, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 880, 881, 880, 881,
 &end
#
#  86 HIS          HN   86 HIS          HA  5.50   (#   396:20  Preassigned   2.95, 2.97 A)
 &rst
  ixpk= 396, nxpk= 20, iat=1335,1337, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  37 LEU         MDX   86 HIS          HA  5.50   (#   397:20  Preassigned   2.25, 4.08 A)
 &rst
  ixpk= 397, nxpk= 20, iat=  -1,1337, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 584, 585, 586, 588, 589, 590,
 &end
#
#  86 HIS         HD1   86 HIS          HA  4.00   (#   398:20  Preassigned   2.54, 2.88 A)
 &rst
  ixpk= 398, nxpk= 20, iat=1343,1337, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  86 HIS         HB-   86 HIS          HA  5.50   (#   399:20  Preassigned   2.38, 2.74 A)
 &rst
  ixpk= 399, nxpk= 20, iat=  -1,1337, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1339,1340,
 &end
#
#  90 LEU         HB-   86 HIS          HA  6.00   (#   400:20  Preassigned   3.61, 4.60 A)
 &rst
  ixpk= 400, nxpk= 20, iat=  -1,1337, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1414,1415,
 &end
#
#  90 LEU         MDY   86 HIS          HA  5.50   (#   401:20  Preassigned   2.84, 6.20 A)
 &rst
  ixpk= 401, nxpk= 20, iat=  -1,1337, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1419,1420,1421,1423,1424,1425,
 &end
#
#  89 ARG          HN   86 HIS          HA  5.50   (#   402:20  Preassigned   2.90, 3.02 A)
 &rst
  ixpk= 402, nxpk= 20, iat=1386,1337, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  21 ARG          HN   21 ARG          HA  5.50   (#   403:20  Preassigned   2.85, 2.88 A)
 &rst
  ixpk= 403, nxpk= 20, iat= 305, 307, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 112 GLU         HG+  112 GLU          HA  5.50   (#   404:20  Preassigned   2.55, 3.63 A)
 &rst
  ixpk= 404, nxpk= 20, iat=  -1,1755, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1760,1761,
 &end
#
#  29 GLU         HB+   29 GLU          HA  4.00   (#   405:20  Preassigned   2.30, 2.60 A)
 &rst
  ixpk= 405, nxpk= 20, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 464, 465,
 &end
#
#  30 LEU          HN   29 GLU          HA  5.50   (#   407:20  Preassigned   2.58, 3.28 A)
 &rst
  ixpk= 407, nxpk= 20, iat= 475, 462, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  29 GLU         HG+   29 GLU          HA  4.00   (#   408:20  Preassigned   2.43, 3.50 A)
 &rst
  ixpk= 408, nxpk= 20, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 467, 468,
 &end
#
#  29 GLU         HB-   29 GLU          HA  4.00   (#   409:20  Preassigned   2.30, 2.60 A)
 &rst
  ixpk= 409, nxpk= 20, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 464, 465,
 &end
#
#  24 GLN         HB-   21 ARG          HA  4.00   (#   413:20  Preassigned   2.25, 2.96 A)
 &rst
  ixpk= 413, nxpk= 20, iat=  -1, 307, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 371, 372,
 &end
#
#  21 ARG          HN   21 ARG          HA  5.50   (#   414:20  Preassigned   2.85, 2.88 A)
 &rst
  ixpk= 414, nxpk= 20, iat= 305, 307, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  21 ARG         HD+   21 ARG          HA  5.50   (#   415:20  Preassigned   2.12, 3.80 A)
 &rst
  ixpk= 415, nxpk= 20, iat=  -1, 307, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 315, 316,
 &end
#
# 106 HIS          HA  110 GLU          HA  5.50   (#   416:20  Preassigned   2.04, 2.72 A)
 &rst
  ixpk= 416, nxpk= 20, iat=1662,1729, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 110 GLU          HN  110 GLU          HA  5.50   (#   417:20  Preassigned   2.17, 2.21 A)
 &rst
  ixpk= 417, nxpk= 20, iat=1727,1729, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 111 CYS          HN  110 GLU          HA  4.00   (#   418:20  Preassigned   2.53, 2.83 A)
 &rst
  ixpk= 418, nxpk= 20, iat=1742,1729, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    20-2:419  110 GLU          HA  4.00   (#   419:20      Single   Ambig  )
 &rst
  ixpk= 419, nxpk= 20, iat=  -1,1729, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1731,1732,1731,1732,
 &end
#
# 103 LEU         MDX  110 GLU          HA  5.50   (#   420:20  Preassigned   2.33, 5.33 A)
 &rst
  ixpk= 420, nxpk= 20, iat=  -1,1729, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
# 110 GLU         HG+  110 GLU          HA  5.50   (#   421:20  Preassigned   2.25, 2.87 A)
 &rst
  ixpk= 421, nxpk= 20, iat=  -1,1729, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1734,1735,
 &end
#
# 110 GLU         HG-  110 GLU          HA  4.00   (#   422:20  Preassigned   2.25, 2.87 A)
 &rst
  ixpk= 422, nxpk= 20, iat=  -1,1729, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1734,1735,
 &end
#
# 112 GLU          HN  112 GLU          HA  5.50   (#   423:20  Preassigned   2.83, 2.90 A)
 &rst
  ixpk= 423, nxpk= 20, iat=1753,1755, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 112 GLU         HB-  112 GLU          HA  4.00   (#   424:20  Preassigned   2.35, 2.52 A)
 &rst
  ixpk= 424, nxpk= 20, iat=  -1,1755, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1757,1758,
 &end
#
# 113 ILE          HN  112 GLU          HA  5.50   (#   425:20  Preassigned   2.25, 2.31 A)
 &rst
  ixpk= 425, nxpk= 20, iat=1768,1755, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 112 GLU         HB+  112 GLU          HA  5.50   (#   426:20  Preassigned   2.35, 2.52 A)
 &rst
  ixpk= 426, nxpk= 20, iat=  -1,1755, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1757,1758,
 &end
#
#   0 AMB    20-2:427   86 HIS          HA  5.50   (#   427:20      Single   Ambig  )
 &rst
  ixpk= 427, nxpk= 20, iat=  -1,1337, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1356,1378,1379,
 &end
#
#   0 AMB    20-2:428    0 AMB    20-1:428  5.50   (#   428:20      Double   Ambig  )
 &rst
  ixpk= 428, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=  11,  12,2299,2300,
 igr2=   6,2294,
 &end
#
# 107 TRP          HN  107 TRP          HA  5.50   (#   429:20  Preassigned   2.82, 2.92 A)
 &rst
  ixpk= 429, nxpk= 20, iat=1677,1679, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 107 TRP         HB+  107 TRP          HA  4.00   (#   430:20  Preassigned   2.31, 2.72 A)
 &rst
  ixpk= 430, nxpk= 20, iat=  -1,1679, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1681,1682,
 &end
#
#   3 ASN          HN    2 PHE          HA  4.00   (#   431:20  Preassigned   2.16, 2.65 A)
 &rst
  ixpk= 431, nxpk= 20, iat=  41,  23, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   2 PHE          HN    2 PHE          HA  5.50   (#   432:20  Preassigned   2.68, 2.82 A)
 &rst
  ixpk= 432, nxpk= 20, iat=  21,  23, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   2 PHE          HD    2 PHE          HA  5.50   (#   433:20  Preassigned   2.50, 3.67 A)
 &rst
  ixpk= 433, nxpk= 20, iat=  -1,  23, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  29,  37,
 &end
#
#  43 LYS         HG+   43 LYS          HA  5.50   (#   434:20  Preassigned   2.33, 2.89 A)
 &rst
  ixpk= 434, nxpk= 20, iat=  -1, 655, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 660, 661,
 &end
#
#  44 GLY          HN   43 LYS          HA  4.00   (#   435:20  Preassigned   2.25, 2.54 A)
 &rst
  ixpk= 435, nxpk= 20, iat= 675, 655, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  43 LYS          HN   43 LYS          HA  5.50   (#   436:20  Preassigned   2.84, 2.88 A)
 &rst
  ixpk= 436, nxpk= 20, iat= 653, 655, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  43 LYS         HG-   43 LYS          HA  4.00   (#   437:20  Preassigned   2.33, 2.89 A)
 &rst
  ixpk= 437, nxpk= 20, iat=  -1, 655, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 660, 661,
 &end
#
#  43 LYS         HD-   43 LYS          HA  4.00   (#   438:20  Preassigned   2.33, 4.19 A)
 &rst
  ixpk= 438, nxpk= 20, iat=  -1, 655, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 663, 664,
 &end
#
#   1 MET         HG+    1 MET          HA  5.50   (#   439:20  Preassigned   2.33, 3.30 A)
 &rst
  ixpk= 439, nxpk= 20, iat=  -1,   6, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  11,  12,
 &end
#
#   2 PHE          HN    1 MET          HA  2.80   (#   440:20  Preassigned   2.12, 2.31 A)
 &rst
  ixpk= 440, nxpk= 20, iat=  21,   6, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   1 MET         HB+    1 MET          HA  4.00   (#   441:20  Preassigned   2.30, 2.70 A)
 &rst
  ixpk= 441, nxpk= 20, iat=  -1,   6, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=   8,   9,
 &end
#
# 138 TRP         HB+  135 ALA          HA  4.00   (#   442:20  Preassigned   2.54, 3.52 A)
 &rst
  ixpk= 442, nxpk= 20, iat=  -1,2139, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2192,2193,
 &end
#
#  46 ASP         HB-   49 ALA          HA  5.50   (#   443:20  Preassigned   4.55, 5.65 A)
 &rst
  ixpk= 443, nxpk= 20, iat=  -1, 734, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 696, 697,
 &end
#
# 108 ASP          HN  107 TRP          HA  4.00   (#   444:20  Preassigned   2.98, 3.26 A)
 &rst
  ixpk= 444, nxpk= 20, iat=1701,1679, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  77 ASP          HN   77 ASP          HA  5.50   (#   447:20  Preassigned   2.95, 2.99 A)
 &rst
  ixpk= 447, nxpk= 20, iat=1174,1176, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  78 LEU          HN    0 AMB    20-1:448  5.50   (#   448:20      Single   Ambig  )
 &rst
  ixpk= 448, nxpk= 20, iat=1186,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1176,  23,
 &end
#
#  77 ASP         HB+   77 ASP          HA  4.00   (#   449:20  Preassigned   2.42, 2.76 A)
 &rst
  ixpk= 449, nxpk= 20, iat=  -1,1176, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1178,1179,
 &end
#
#   2 PHE         HB+    2 PHE          HA  5.50   (#   450:20  Preassigned   2.31, 2.69 A)
 &rst
  ixpk= 450, nxpk= 20, iat=  -1,  23, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  25,  26,
 &end
#
# 146 GLN          HN  146 GLN          HA  4.00   (#   451:20  Preassigned   2.20, 2.72 A)
 &rst
  ixpk= 451, nxpk= 20, iat=2307,2309, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 147 VAL          HN  146 GLN          HA  2.80   (#   452:20  Preassigned   2.26, 2.40 A)
 &rst
  ixpk= 452, nxpk= 20, iat=2324,2309, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   0 AMB    20-2:453  146 GLN          HA  4.00   (#   453:20      Single   Ambig  )
 &rst
  ixpk= 453, nxpk= 20, iat=  -1,2309, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=2314,2315,2314,2315,
 &end
#
# 146 GLN         HB+  146 GLN          HA  2.80   (#   454:20  Preassigned   2.35, 2.72 A)
 &rst
  ixpk= 454, nxpk= 20, iat=  -1,2309, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2311,2312,
 &end
#
# 146 GLN         HB-  146 GLN          HA  4.00   (#   455:20  Preassigned   2.35, 2.72 A)
 &rst
  ixpk= 455, nxpk= 20, iat=  -1,2309, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2311,2312,
 &end
#
# 128 TYR          HN  125 ALA          HA  4.00   (#   456:20  Preassigned   3.22, 3.40 A)
 &rst
  ixpk= 456, nxpk= 20, iat=2014,1980, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 138 TRP          HN  135 ALA          HA  5.50   (#   457:20  Preassigned   3.22, 3.33 A)
 &rst
  ixpk= 457, nxpk= 20, iat=2188,2139, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    20-2:458    0 AMB    20-1:458  4.00   (#   458:20      Double   Ambig  )
 &rst
  ixpk= 458, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
 igr1= 778, 779, 780, 782, 783, 784, 357, 358, 359, 361,
       362, 363,
 igr2= 734,2139,
 &end
#
#   0 AMB    20-2:459    0 AMB    20-1:459  5.50   (#   459:20      Double   Ambig  )
 &rst
  ixpk= 459, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 724, 725, 726, 284, 285, 286,
 igr2= 734,2139,
 &end
#
# 104 PHE          HZ  135 ALA          HA  4.00   (#   460:20  Preassigned   2.58, 3.98 A)
 &rst
  ixpk= 460, nxpk= 20, iat=1645,2139, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  54 ALA          HN   53 ALA          HA  5.50   (#   461:20  Preassigned   3.58, 3.61 A)
 &rst
  ixpk= 461, nxpk= 20, iat= 798, 790, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  53 ALA          HN   53 ALA          HA  5.50   (#   462:20  Preassigned   2.85, 2.87 A)
 &rst
  ixpk= 462, nxpk= 20, iat= 788, 790, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 128 TYR          HE   53 ALA          HA  4.00   (#   463:20  Preassigned   2.27, 4.02 A)
 &rst
  ixpk= 463, nxpk= 20, iat=  -1, 790, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2024,2029,
 &end
#
#   0 AMB    20-2:464   53 ALA          HA  5.50   (#   464:20      Single   Ambig  )
 &rst
  ixpk= 464, nxpk= 20, iat=  -1, 790, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 866, 867, 868, 870, 871, 872, 778, 779, 780, 782,
       783, 784,
 &end
#
#  56 HIS         HD2   53 ALA          HA  5.50   (#   465:20  Preassigned   2.30, 3.95 A)
 &rst
  ixpk= 465, nxpk= 20, iat= 836, 790, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  53 ALA          MB   53 ALA          HA  2.80   (#   466:20  Preassigned   2.41, 2.66 A)
 &rst
  ixpk= 466, nxpk= 20, iat=  -1, 790, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 792, 793, 794,
 &end
#
# 147 VAL         MGY  146 GLN          HA  2.80   (#   471:20  Preassigned   2.95, 4.51 A)
 &rst
  ixpk= 471, nxpk= 20, iat=  -1,2309, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2330,2331,2332,2334,2335,2336,
 &end
#
# 125 ALA          HN  125 ALA          HA  4.00   (#   472:20  Preassigned   2.83, 2.85 A)
 &rst
  ixpk= 472, nxpk= 20, iat=1978,1980, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 128 TYR         HB+  125 ALA          HA  5.50   (#   473:20  Preassigned   2.24, 2.80 A)
 &rst
  ixpk= 473, nxpk= 20, iat=  -1,1980, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2018,2019,
 &end
#
# 128 TYR         HB-  125 ALA          HA  5.50   (#   474:20  Preassigned   2.24, 2.80 A)
 &rst
  ixpk= 474, nxpk= 20, iat=  -1,1980, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2018,2019,
 &end
#
#  52 VAL         MGX  125 ALA          HA  2.80   (#   475:20  Preassigned   2.22, 3.99 A)
 &rst
  ixpk= 475, nxpk= 20, iat=  -1,1980, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 778, 779, 780, 782, 783, 784,
 &end
#
#  52 VAL         MGY  125 ALA          HA  4.00   (#   476:20  Preassigned   2.22, 3.99 A)
 &rst
  ixpk= 476, nxpk= 20, iat=  -1,1980, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 778, 779, 780, 782, 783, 784,
 &end
#
# 135 ALA          HN  135 ALA          HA  5.50   (#   477:20  Preassigned   2.86, 2.88 A)
 &rst
  ixpk= 477, nxpk= 20, iat=2137,2139, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    20-2:479    0 AMB    20-1:479  4.00   (#   479:20      Double   Ambig  )
 &rst
  ixpk= 479, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
 igr1= 778, 779, 780, 782, 783, 784, 357, 358, 359, 361,
       362, 363,
 igr2= 734,2139,
 &end
#
#   0 AMB    20-2:480    0 AMB    20-1:480  2.80   (#   480:20      Double   Ambig  )
 &rst
  ixpk= 480, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 736, 737, 738,2141,2142,2143,
 igr2= 734,2139,
 &end
#
# 143 ASN          HN  142 LEU          HA  5.50   (#   481:20  Preassigned   3.56, 3.62 A)
 &rst
  ixpk= 481, nxpk= 20, iat=2268,2251, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 142 LEU          HG  142 LEU          HA  4.00   (#   482:20  Preassigned   2.83, 2.97 A)
 &rst
  ixpk= 482, nxpk= 20, iat=2256,2251, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 142 LEU         HB+  142 LEU          HA  4.00   (#   483:20  Preassigned   2.51, 2.79 A)
 &rst
  ixpk= 483, nxpk= 20, iat=  -1,2251, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2253,2254,
 &end
#
# 142 LEU         MDY  142 LEU          HA  4.00   (#   484:20  Preassigned   2.16, 3.85 A)
 &rst
  ixpk= 484, nxpk= 20, iat=  -1,2251, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=2258,2259,2260,2262,2263,2264,
 &end
#
#   0 AMB    20-2:486  142 LEU          HA  4.00   (#   486:20      Single   Ambig  )
 &rst
  ixpk= 486, nxpk= 20, iat=  -1,2251, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2249,2282,
 &end
#
# 142 LEU         MDX  142 LEU          HA  5.50   (#   487:20  Preassigned   2.16, 3.85 A)
 &rst
  ixpk= 487, nxpk= 20, iat=  -1,2251, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2258,2259,2260,2262,2263,2264,
 &end
#
# 129 THR         MG2  126 ALA          HA  5.50   (#   489:20  Preassigned   4.58, 5.37 A)
 &rst
  ixpk= 489, nxpk= 20, iat=  -1,1990, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=2041,2042,2043,
 &end
#
#   0 AMB    20-2:490    0 AMB    20-1:490  2.80   (#   490:20      Double   Ambig  )
 &rst
  ixpk= 490, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1982,1983,1984,1992,1993,1994,
 igr2=1980,1990,
 &end
#
#  20 GLU          HN   19 ALA          HA  5.50   (#   491:20  Preassigned   3.62, 3.65 A)
 &rst
  ixpk= 491, nxpk= 20, iat= 290, 282, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 131 LEU         HB+   19 ALA          HA  5.50   (#   492:20  Preassigned   3.20, 4.75 A)
 &rst
  ixpk= 492, nxpk= 20, iat=  -1, 282, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2072,2073,
 &end
#
#   0 AMB    20-2:493   19 ALA          HA  5.50   (#   493:20      Single   Ambig  )
 &rst
  ixpk= 493, nxpk= 20, iat=  -1, 282, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2077,2078,2079,2081,2082,2083,2077,2078,2079,2081,
      2082,2083,
 &end
#
#  22 LEU          HN   19 ALA          HA  5.50   (#   494:20  Preassigned   3.37, 3.63 A)
 &rst
  ixpk= 494, nxpk= 20, iat= 329, 282, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  19 ALA          HN   19 ALA          HA  5.50   (#   495:20  Preassigned   2.80, 2.84 A)
 &rst
  ixpk= 495, nxpk= 20, iat= 280, 282, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 104 PHE          HZ   19 ALA          HA  5.50   (#   496:20  Preassigned   3.40, 4.07 A)
 &rst
  ixpk= 496, nxpk= 20, iat=1645, 282, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  22 LEU         MDX   19 ALA          HA  5.50   (#   497:20  Preassigned   2.58, 5.18 A)
 &rst
  ixpk= 497, nxpk= 20, iat=  -1, 282, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#  22 LEU         HB+   19 ALA          HA  4.00   (#   498:20  Preassigned   2.52, 3.61 A)
 &rst
  ixpk= 498, nxpk= 20, iat=  -1, 282, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 333, 334,
 &end
#
#  22 LEU         HB-   19 ALA          HA  5.50   (#   499:20  Preassigned   2.52, 3.61 A)
 &rst
  ixpk= 499, nxpk= 20, iat=  -1, 282, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 333, 334,
 &end
#
#  19 ALA          MB   19 ALA          HA  2.80   (#   500:20  Preassigned   2.34, 2.66 A)
 &rst
  ixpk= 500, nxpk= 20, iat=  -1, 282, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 284, 285, 286,
 &end
#
#   7 VAL         MGX   19 ALA          HA  5.50   (#   501:20  Preassigned   4.42, 5.85 A)
 &rst
  ixpk= 501, nxpk= 20, iat=  -1, 282, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 113, 114, 115, 117, 118, 119,
 &end
#
#  22 LEU         MDY   19 ALA          HA  4.00   (#   502:20  Preassigned   2.58, 5.18 A)
 &rst
  ixpk= 502, nxpk= 20, iat=  -1, 282, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
# 135 ALA          MB   19 ALA          HA  5.50   (#   503:20  Preassigned   2.58, 3.89 A)
 &rst
  ixpk= 503, nxpk= 20, iat=  -1, 282, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=2141,2142,2143,
 &end
#
#  57 GLN          HN   56 HIS          HA  4.00   (#   504:20  Preassigned   3.00, 3.15 A)
 &rst
  ixpk= 504, nxpk= 20, iat= 840, 825, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    20-2:506  141 ALA          HA  5.50   (#   506:20      Single   Ambig  )
 &rst
  ixpk= 506, nxpk= 20, iat=  -1,2241, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2282,2249,
 &end
#
# 144 ALA          MB  141 ALA          HA  5.50   (#   507:20  Preassigned   2.43, 4.28 A)
 &rst
  ixpk= 507, nxpk= 20, iat=  -1,2241, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=2286,2287,2288,
 &end
#
#  66 ARG          HN   66 ARG          HA  5.50   (#   508:20  Preassigned   2.85, 2.90 A)
 &rst
  ixpk= 508, nxpk= 20, iat= 966, 968, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  67 GLN          HN   66 ARG          HA  4.00   (#   509:20  Preassigned   2.22, 2.29 A)
 &rst
  ixpk= 509, nxpk= 20, iat= 990, 968, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  66 ARG         HB-   66 ARG          HA  5.50   (#   510:20  Preassigned   2.29, 2.48 A)
 &rst
  ixpk= 510, nxpk= 20, iat=  -1, 968, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 970, 971,
 &end
#
#  41 VAL         MGY   66 ARG          HA  5.50   (#   511:20  Preassigned   2.21, 3.88 A)
 &rst
  ixpk= 511, nxpk= 20, iat=  -1, 968, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 636, 637, 638, 640, 641, 642,
 &end
#
#  66 ARG         HB+   66 ARG          HA  4.00   (#   512:20  Preassigned   2.29, 2.48 A)
 &rst
  ixpk= 512, nxpk= 20, iat=  -1, 968, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 970, 971,
 &end
#
#  66 ARG         HB-   66 ARG          HA  5.50   (#   513:20  Preassigned   2.29, 2.48 A)
 &rst
  ixpk= 513, nxpk= 20, iat=  -1, 968, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 970, 971,
 &end
#
#  66 ARG         HG-   66 ARG          HA  5.50   (#   514:20  Preassigned   2.47, 3.84 A)
 &rst
  ixpk= 514, nxpk= 20, iat=  -1, 968, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 973, 974,
 &end
#
#  41 VAL         MGX   66 ARG          HA  4.00   (#   515:20  Preassigned   2.21, 3.88 A)
 &rst
  ixpk= 515, nxpk= 20, iat=  -1, 968, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 636, 637, 638, 640, 641, 642,
 &end
#
#  56 HIS         HB+   56 HIS          HA  5.50   (#   516:20  Preassigned   2.44, 2.77 A)
 &rst
  ixpk= 516, nxpk= 20, iat=  -1, 825, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 827, 828,
 &end
#
#  56 HIS          HN   56 HIS          HA  5.50   (#   517:20  Preassigned   2.90, 2.94 A)
 &rst
  ixpk= 517, nxpk= 20, iat= 823, 825, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  56 HIS         HB-   56 HIS          HA  4.00   (#   518:20  Preassigned   2.44, 2.77 A)
 &rst
  ixpk= 518, nxpk= 20, iat=  -1, 825, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 827, 828,
 &end
#
# 104 PHE          HN  103 LEU          HA  4.00   (#   519:20  Preassigned   2.17, 2.24 A)
 &rst
  ixpk= 519, nxpk= 20, iat=1633,1616, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  81 THR          HN  103 LEU          HA  5.50   (#   520:20  Preassigned   2.31, 2.97 A)
 &rst
  ixpk= 520, nxpk= 20, iat=1243,1616, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 103 LEU         MDX  103 LEU          HA  5.50   (#   521:20  Preassigned   2.16, 3.96 A)
 &rst
  ixpk= 521, nxpk= 20, iat=  -1,1616, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
# 141 ALA          HN  141 ALA          HA  5.50   (#   523:20  Preassigned   2.84, 2.86 A)
 &rst
  ixpk= 523, nxpk= 20, iat=2239,2241, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 141 ALA          MB  141 ALA          HA  2.80   (#   526:20  Preassigned   2.41, 2.66 A)
 &rst
  ixpk= 526, nxpk= 20, iat=  -1,2241, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=2243,2244,2245,
 &end
#
#  83 GLU          HN   83 GLU          HA  7.00   (#   527:20  Preassigned   2.93, 2.96 A)
 &rst
  ixpk= 527, nxpk= 20, iat=1274,1276, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  84 LYS          HN   83 GLU          HA  5.50   (#   528:20  Preassigned   2.21, 2.27 A)
 &rst
  ixpk= 528, nxpk= 20, iat=1289,1276, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  79 ILE          HN   78 LEU          HA  4.00   (#   529:20  Preassigned   2.22, 2.27 A)
 &rst
  ixpk= 529, nxpk= 20, iat=1205,1188, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  78 LEU         MDX   78 LEU          HA  4.00   (#   530:20  Preassigned   2.13, 3.79 A)
 &rst
  ixpk= 530, nxpk= 20, iat=  -1,1188, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1195,1196,1197,1199,1200,1201,
 &end
#
#  78 LEU          HN   78 LEU          HA  5.50   (#   531:20  Preassigned   2.89, 2.92 A)
 &rst
  ixpk= 531, nxpk= 20, iat=1186,1188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    20-2:532    0 AMB    20-1:532  2.80   (#   532:20      Double   Ambig  )
 &rst
  ixpk= 532, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1195,1196,1197,1199,1200,1201,1623,1624,1625,1627,
      1628,1629,
 igr2=1188,1276,
 &end
#
# 103 LEU         MDY  103 LEU          HA  4.00   (#   533:20  Preassigned   2.16, 3.96 A)
 &rst
  ixpk= 533, nxpk= 20, iat=  -1,1616, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
# 102 MET         HB-  102 MET          HA  5.50   (#   535:20  Preassigned   2.24, 2.71 A)
 &rst
  ixpk= 535, nxpk= 20, iat=  -1,1599, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1601,1602,
 &end
#
#  83 GLU         HB-   83 GLU          HA  5.50   (#   537:20  Preassigned   2.35, 2.69 A)
 &rst
  ixpk= 537, nxpk= 20, iat=  -1,1276, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1278,1279,
 &end
#
# 112 GLU         HG+   83 GLU          HA  5.50   (#   538:20  Preassigned   2.11, 4.11 A)
 &rst
  ixpk= 538, nxpk= 20, iat=  -1,1276, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1760,1761,
 &end
#
# 102 MET          HN  102 MET          HA  5.50   (#   539:20  Preassigned   2.85, 2.96 A)
 &rst
  ixpk= 539, nxpk= 20, iat=1597,1599, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB    20-2:540  102 MET          HA  5.50   (#   540:20      Single   Ambig  )
 &rst
  ixpk= 540, nxpk= 20, iat=  -1,1599, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1365,1366,1367,1587,1588,1589,1591,1592,1593,
 &end
#
#  30 LEU          HN   30 LEU          HA  5.50   (#   541:20  Preassigned   2.92, 2.98 A)
 &rst
  ixpk= 541, nxpk= 20, iat= 475, 477, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  31 LYS          HN   30 LEU          HA  4.00   (#   542:20  Preassigned   2.19, 2.34 A)
 &rst
  ixpk= 542, nxpk= 20, iat= 494, 477, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  67 GLN         HB+   67 GLN          HA  5.50   (#   543:20  Preassigned   2.43, 2.78 A)
 &rst
  ixpk= 543, nxpk= 20, iat=  -1, 992, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 994, 995,
 &end
#
#  67 GLN          HN   67 GLN          HA  5.50   (#   544:20  Preassigned   2.87, 2.92 A)
 &rst
  ixpk= 544, nxpk= 20, iat= 990, 992, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  39 ALA          HN   67 GLN          HA  5.50   (#   545:20  Preassigned   2.72, 3.08 A)
 &rst
  ixpk= 545, nxpk= 20, iat= 601, 992, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  68 ILE          HN   67 GLN          HA  2.80   (#   546:20  Preassigned   2.16, 2.23 A)
 &rst
  ixpk= 546, nxpk= 20, iat=1007, 992, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  67 GLN         HB-   67 GLN          HA  5.50   (#   547:20  Preassigned   2.43, 2.78 A)
 &rst
  ixpk= 547, nxpk= 20, iat=  -1, 992, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 994, 995,
 &end
#
# 109 ASN          HN  109 ASN          HA  2.80   (#   548:20  Preassigned   2.22, 2.30 A)
 &rst
  ixpk= 548, nxpk= 20, iat=1713,1715, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
# 110 GLU          HN  109 ASN          HA  5.50   (#   549:20  Preassigned   2.43, 2.77 A)
 &rst
  ixpk= 549, nxpk= 20, iat=1727,1715, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 109 ASN         HB+  109 ASN          HA  4.00   (#   550:20  Preassigned   2.43, 2.76 A)
 &rst
  ixpk= 550, nxpk= 20, iat=  -1,1715, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1717,1718,
 &end
#
# 108 ASP          HA  109 ASN          HA  5.50   (#   551:20  Preassigned   4.46, 4.70 A)
 &rst
  ixpk= 551, nxpk= 20, iat=1703,1715, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 109 ASN         HB-  109 ASN          HA  2.80   (#   552:20  Preassigned   2.43, 2.76 A)
 &rst
  ixpk= 552, nxpk= 20, iat=  -1,1715, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1717,1718,
 &end
#
# 103 LEU         MDX   83 GLU          HA  5.50   (#   553:20      Unique   2.37, 4.30 A)
 &rst
  ixpk= 553, nxpk= 20, iat=  -1,1276, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
# 102 MET         HG-  102 MET          HA  4.00   (#   554:20  Preassigned   2.30, 3.03 A)
 &rst
  ixpk= 554, nxpk= 20, iat=  -1,1599, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1604,1605,
 &end
#
# 103 LEU          HN  102 MET          HA  4.00   (#   555:20  Preassigned   2.19, 2.43 A)
 &rst
  ixpk= 555, nxpk= 20, iat=1614,1599, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    20-2:556  102 MET          HA  5.50   (#   556:20      Single   Ambig  )
 &rst
  ixpk= 556, nxpk= 20, iat=  -1,1599, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1608,1609,1610,1618,1619,
 &end
#
#   0 AMB    20-2:557  102 MET          HA  4.00   (#   557:20      Single   Ambig  )
 &rst
  ixpk= 557, nxpk= 20, iat=  -1,1599, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1=1365,1366,1367,1587,1588,1589,1591,1592,1593,
 &end
#
#  59 SER          HN   58 LEU          HA  2.80   (#   558:20  Preassigned   2.16, 2.44 A)
 &rst
  ixpk= 558, nxpk= 20, iat= 876, 859, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  58 LEU         HB-   58 LEU          HA  4.00   (#   559:20  Preassigned   2.40, 2.79 A)
 &rst
  ixpk= 559, nxpk= 20, iat=  -1, 859, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 861, 862,
 &end
#
#   0 AMB    20-2:560    0 AMB    20-1:560  2.80   (#   560:20      Double   Ambig  )
 &rst
  ixpk= 560, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 866, 867, 868, 870, 871, 872, 484, 485, 486, 488,
       489, 490,
 igr2= 859, 477,
 &end
#
#  39 ALA          MB   67 GLN          HA  5.50   (#   563:20  Preassigned   2.25, 3.06 A)
 &rst
  ixpk= 563, nxpk= 20, iat=  -1, 992, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 605, 606, 607,
 &end
#
#  67 GLN         HB-   67 GLN          HA  5.50   (#   564:20  Preassigned   2.43, 2.78 A)
 &rst
  ixpk= 564, nxpk= 20, iat=  -1, 992, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 994, 995,
 &end
#
#   0 AMB    20-2:565    0 AMB    20-1:565  4.00   (#   565:20      Double   Ambig  )
 &rst
  ixpk= 565, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
 igr1= 312, 313, 994, 995,
 igr2= 889, 992,
 &end
#
#  61 GLU          HN   60 LEU          HA  5.50   (#   566:20  Preassigned   2.20, 2.88 A)
 &rst
  ixpk= 566, nxpk= 20, iat= 906, 889, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  60 LEU         HB+   60 LEU          HA  5.50   (#   568:20  Preassigned   2.32, 2.72 A)
 &rst
  ixpk= 568, nxpk= 20, iat=  -1, 889, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 891, 892,
 &end
#
#  60 LEU         HB-   60 LEU          HA  5.50   (#   569:20  Preassigned   2.32, 2.72 A)
 &rst
  ixpk= 569, nxpk= 20, iat=  -1, 889, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 891, 892,
 &end
#
#  60 LEU         MDY   60 LEU          HA  4.00   (#   570:20  Preassigned   2.22, 3.81 A)
 &rst
  ixpk= 570, nxpk= 20, iat=  -1, 889, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 896, 897, 898, 900, 901, 902,
 &end
#
#  58 LEU         MDX   58 LEU          HA  5.50   (#   571:20  Preassigned   2.19, 3.77 A)
 &rst
  ixpk= 571, nxpk= 20, iat=  -1, 859, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
#  58 LEU          HN   58 LEU          HA  5.50   (#   572:20  Preassigned   2.85, 2.95 A)
 &rst
  ixpk= 572, nxpk= 20, iat= 857, 859, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  58 LEU         HB+   58 LEU          HA  5.50   (#   574:20  Preassigned   2.40, 2.79 A)
 &rst
  ixpk= 574, nxpk= 20, iat=  -1, 859, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 861, 862,
 &end
#
#   0 AMB    20-2:575   40 LEU          HA  2.80   (#   575:20      Single   Ambig  )
 &rst
  ixpk= 575, nxpk= 20, iat=  -1, 613, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 620, 621, 622, 624, 625, 626, 620, 621, 622, 624,
       625, 626,
 &end
#
#  40 LEU          HN   40 LEU          HA  5.50   (#   576:20  Preassigned   2.28, 2.92 A)
 &rst
  ixpk= 576, nxpk= 20, iat= 611, 613, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  41 VAL          HN   40 LEU          HA  2.80   (#   577:20  Preassigned   2.37, 2.56 A)
 &rst
  ixpk= 577, nxpk= 20, iat= 630, 613, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  40 LEU         HB+   40 LEU          HA  4.00   (#   578:20  Preassigned   2.42, 2.78 A)
 &rst
  ixpk= 578, nxpk= 20, iat=  -1, 613, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 615, 616,
 &end
#
#  58 LEU         MDX   58 LEU          HA  5.50   (#   579:20  Preassigned   2.19, 3.77 A)
 &rst
  ixpk= 579, nxpk= 20, iat=  -1, 859, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
#  75 ASN        HD2+   75 ASN          HA  4.00   (#   580:20  Preassigned   2.65, 4.09 A)
 &rst
  ixpk= 580, nxpk= 20, iat=  -1,1141, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1148,1149,
 &end
#
#  75 ASN          HN   75 ASN          HA  4.00   (#   581:20  Preassigned   2.83, 2.86 A)
 &rst
  ixpk= 581, nxpk= 20, iat=1139,1141, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    20-2:582   75 ASN          HA  2.80   (#   582:20      Single   Ambig  )
 &rst
  ixpk= 582, nxpk= 20, iat=  -1,1141, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1143,1144,1143,1144,
 &end
#
#  40 LEU          HG   40 LEU          HA  4.00   (#   583:20  Preassigned   2.46, 2.98 A)
 &rst
  ixpk= 583, nxpk= 20, iat= 618, 613, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 145 GLU          HN  144 ALA          HA  2.80   (#   585:20      Unique   2.14, 2.90 A)
 &rst
  ixpk= 585, nxpk= 20, iat=2292,2284, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
# 144 ALA          HN  144 ALA          HA  4.00   (#   586:20  Preassigned   2.10, 2.85 A)
 &rst
  ixpk= 586, nxpk= 20, iat=2282,2284, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 144 ALA          MB  144 ALA          HA  2.80   (#   587:20  Preassigned   2.38, 2.67 A)
 &rst
  ixpk= 587, nxpk= 20, iat=  -1,2284, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=2286,2287,2288,
 &end
#
#  65 ALA          MB   65 ALA          HA  4.00   (#   588:20  Preassigned   2.42, 2.66 A)
 &rst
  ixpk= 588, nxpk= 20, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 960, 961, 962,
 &end
#
#  66 ARG          HN   65 ALA          HA  4.00   (#   589:20  Preassigned   2.09, 2.19 A)
 &rst
  ixpk= 589, nxpk= 20, iat= 966, 958, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  65 ALA          HN   65 ALA          HA  5.50   (#   590:20  Preassigned   2.81, 2.89 A)
 &rst
  ixpk= 590, nxpk= 20, iat= 956, 958, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  39 ALA          HN   39 ALA          HA  5.50   (#   592:20  Preassigned   2.69, 2.78 A)
 &rst
  ixpk= 592, nxpk= 20, iat= 601, 603, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  65 ALA          MB   39 ALA          HA  6.00   (#   595:20  Preassigned   3.41, 4.83 A)
 &rst
  ixpk= 595, nxpk= 20, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 960, 961, 962,
 &end
#
#  39 ALA          MB   39 ALA          HA  4.00   (#   596:20  Preassigned   2.42, 2.66 A)
 &rst
  ixpk= 596, nxpk= 20, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 605, 606, 607,
 &end
#
#   0 AMB    20-2:597   39 ALA          HA  5.50   (#   597:20      Single   Ambig  )
 &rst
  ixpk= 597, nxpk= 20, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 620, 621, 622, 624, 625, 626, 620, 621, 622, 624,
       625, 626,
 &end
#
#  40 LEU          HN   39 ALA          HA  4.00   (#   598:20  Preassigned   2.15, 2.27 A)
 &rst
  ixpk= 598, nxpk= 20, iat= 611, 603, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB    20-2:601    0 AMB    20-1:601  5.50   (#   601:20      Double   Ambig  )
 &rst
  ixpk= 601, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 522, 523, 524, 526, 527, 528, 605, 606, 607,
 igr2=  90, 560,
 &end
#
#  66 ARG         HB+   35 ALA          HA  6.00   (#   602:20  Preassigned   2.67, 5.06 A)
 &rst
  ixpk= 602, nxpk= 20, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 970, 971,
 &end
#
#   6 LEU         HB-    6 LEU          HA  5.50   (#   603:20  Preassigned   2.46, 2.77 A)
 &rst
  ixpk= 603, nxpk= 20, iat=  -1,  90, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  92,  93,
 &end
#
#  63 HIS         HD2   45 ALA          HA  5.50   (#   604:20  Preassigned   2.37, 3.29 A)
 &rst
  ixpk= 604, nxpk= 20, iat= 941, 684, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  63 HIS         HB-   45 ALA          HA  5.50   (#   605:20  Preassigned   3.35, 4.77 A)
 &rst
  ixpk= 605, nxpk= 20, iat=  -1, 684, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 932, 933,
 &end
#
#  45 ALA          MB   45 ALA          HA  2.80   (#   608:20  Preassigned   2.43, 2.66 A)
 &rst
  ixpk= 608, nxpk= 20, iat=  -1, 684, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 686, 687, 688,
 &end
#
#  17 PRO         HG-   45 ALA          HA  5.50   (#   610:20  Preassigned   2.38, 3.90 A)
 &rst
  ixpk= 610, nxpk= 20, iat=  -1, 684, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 256, 257,
 &end
#
#  46 ASP          HN   45 ALA          HA  4.00   (#   612:20  Preassigned   2.22, 2.32 A)
 &rst
  ixpk= 612, nxpk= 20, iat= 692, 684, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   7 VAL          HN    6 LEU          HA  4.00   (#   613:20  Preassigned   2.26, 2.38 A)
 &rst
  ixpk= 613, nxpk= 20, iat= 107,  90, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  35 ALA          HN   35 ALA          HA  5.50   (#   614:20  Preassigned   2.69, 2.76 A)
 &rst
  ixpk= 614, nxpk= 20, iat= 558, 560, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  66 ARG         HG-   35 ALA          HA  5.50   (#   616:20  Preassigned   2.22, 3.61 A)
 &rst
  ixpk= 616, nxpk= 20, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 973, 974,
 &end
#
#   6 LEU         HB-    6 LEU          HA  5.50   (#   617:20  Preassigned   2.46, 2.77 A)
 &rst
  ixpk= 617, nxpk= 20, iat=  -1,  90, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  92,  93,
 &end
#
#   0 AMB    20-2:618    6 LEU          HA  5.50   (#   618:20      Single   Ambig  )
 &rst
  ixpk= 618, nxpk= 20, iat=  -1,  90, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 113, 114, 115, 117, 118, 119,1211,1212,1213,
 &end
#
#   6 LEU         MDX    6 LEU          HA  5.50   (#   619:20  Preassigned   2.17, 3.88 A)
 &rst
  ixpk= 619, nxpk= 20, iat=  -1,  90, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  97,  98,  99, 101, 102, 103,
 &end
#
#   6 LEU          HN    6 LEU          HA  5.50   (#   620:20  Preassigned   2.95, 2.96 A)
 &rst
  ixpk= 620, nxpk= 20, iat=  88,  90, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  34 SER          HA    0 AMB    20-1:621  5.50   (#   621:20      Single   Ambig  )
 &rst
  ixpk= 621, nxpk= 20, iat= 549,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  90, 560,
 &end
#
#  35 ALA          MB   35 ALA          HA  2.80   (#   622:20  Preassigned   2.44, 2.72 A)
 &rst
  ixpk= 622, nxpk= 20, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 562, 563, 564,
 &end
#
#   6 LEU          HG    6 LEU          HA  4.00   (#   623:20  Preassigned   2.65, 3.08 A)
 &rst
  ixpk= 623, nxpk= 20, iat=  95,  90, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   6 LEU         MDY    6 LEU          HA  2.80   (#   624:20  Preassigned   2.17, 3.88 A)
 &rst
  ixpk= 624, nxpk= 20, iat=  -1,  90, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  97,  98,  99, 101, 102, 103,
 &end
#
#   6 LEU         HB+    6 LEU          HA  5.50   (#   625:20  Preassigned   2.46, 2.77 A)
 &rst
  ixpk= 625, nxpk= 20, iat=  -1,  90, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  92,  93,
 &end
#
#  46 ASP         HB-   45 ALA          HA  5.50   (#   626:20  Preassigned   4.32, 4.67 A)
 &rst
  ixpk= 626, nxpk= 20, iat=  -1, 684, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 696, 697,
 &end
#
#  47 PRO         HB+   47 PRO         HD+  5.50   (#   628:20  Preassigned   2.84, 3.68 A)
 &rst
  ixpk= 628, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 711, 712,
 igr2= 705, 706,
 &end
#
#  47 PRO         HG+   47 PRO         HD+  5.50   (#   629:20  Preassigned   2.33, 2.61 A)
 &rst
  ixpk= 629, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 708, 709,
 igr2= 705, 706,
 &end
#
#  47 PRO         HG-   47 PRO         HD+  4.00   (#   631:20  Preassigned   2.33, 2.61 A)
 &rst
  ixpk= 631, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 708, 709,
 igr2= 705, 706,
 &end
#
#  47 PRO         HB-   47 PRO         HD+  5.50   (#   632:20  Preassigned   2.84, 3.68 A)
 &rst
  ixpk= 632, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 711, 712,
 igr2= 705, 706,
 &end
#
#  47 PRO         HB+   47 PRO         HD-  5.50   (#   634:20  Preassigned   2.84, 3.68 A)
 &rst
  ixpk= 634, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 711, 712,
 igr2= 705, 706,
 &end
#
#  47 PRO         HB-   47 PRO         HD-  5.50   (#   635:20  Preassigned   2.84, 3.68 A)
 &rst
  ixpk= 635, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 711, 712,
 igr2= 705, 706,
 &end
#
#  47 PRO         HG+   47 PRO         HD-  5.50   (#   637:20  Preassigned   2.33, 2.61 A)
 &rst
  ixpk= 637, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 708, 709,
 igr2= 705, 706,
 &end
#
# 114 PRO         HG-  114 PRO         HD-  4.00   (#   643:20  Preassigned   2.33, 2.61 A)
 &rst
  ixpk= 643, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1791,1792,
 igr2=1788,1789,
 &end
#
# 113 ILE          HA  114 PRO         HD-  4.00   (#   645:20  Preassigned   2.07, 2.38 A)
 &rst
  ixpk= 645, nxpk= 20, iat=1770,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1788,1789,
 &end
#
# 113 ILE          HA  114 PRO         HD+  4.00   (#   648:20  Preassigned   2.07, 2.38 A)
 &rst
  ixpk= 648, nxpk= 20, iat=1770,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1788,1789,
 &end
#
# 114 PRO         HG+  114 PRO         HD+  5.50   (#   651:20  Preassigned   2.33, 2.61 A)
 &rst
  ixpk= 651, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1791,1792,
 igr2=1788,1789,
 &end
#
# 114 PRO         HG-  114 PRO         HD+  4.00   (#   652:20  Preassigned   2.33, 2.61 A)
 &rst
  ixpk= 652, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1791,1792,
 igr2=1788,1789,
 &end
#
#  27 HIS          HA   28 PRO         HD+  4.00   (#   654:20  Preassigned   2.11, 2.54 A)
 &rst
  ixpk= 654, nxpk= 20, iat= 431,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 447, 448,
 &end
#
#  28 PRO         HB-   28 PRO         HD+  5.50   (#   655:20  Preassigned   2.82, 3.68 A)
 &rst
  ixpk= 655, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 453, 454,
 igr2= 447, 448,
 &end
#
#  27 HIS          HN   28 PRO         HD+  5.50   (#   657:20  Preassigned   2.96, 3.79 A)
 &rst
  ixpk= 657, nxpk= 20, iat= 429,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 447, 448,
 &end
#
#  27 HIS          HN   28 PRO         HD-  5.50   (#   658:20  Preassigned   2.96, 3.79 A)
 &rst
  ixpk= 658, nxpk= 20, iat= 429,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 447, 448,
 &end
#
#  27 HIS          HA   28 PRO         HD-  4.00   (#   659:20  Preassigned   2.11, 2.54 A)
 &rst
  ixpk= 659, nxpk= 20, iat= 431,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 447, 448,
 &end
#
#  28 PRO         HB-   28 PRO         HD-  5.50   (#   661:20  Preassigned   2.82, 3.68 A)
 &rst
  ixpk= 661, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 453, 454,
 igr2= 447, 448,
 &end
#
#   0 AMB    20-2:663   95 PRO         HD-  5.50   (#   663:20      Single   Ambig  )
 &rst
  ixpk= 663, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1489,1490,1503,1504,
 igr2=1483,1484,
 &end
#
#   0 AMB    20-2:664   95 PRO         HD-  2.80   (#   664:20      Single   Ambig  )
 &rst
  ixpk= 664, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1486,1487,1503,1504,
 igr2=1483,1484,
 &end
#
#  94 ALA          MB   95 PRO         HD-  5.50   (#   665:20  Preassigned   4.05, 4.89 A)
 &rst
  ixpk= 665, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1476,1477,1478,
 igr2=1483,1484,
 &end
#
#  94 ALA          HA   95 PRO         HD-  4.00   (#   666:20  Preassigned   2.16, 2.61 A)
 &rst
  ixpk= 666, nxpk= 20, iat=1474,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1483,1484,
 &end
#
#   0 AMB    20-2:668    0 AMB    20-1:668  2.80   (#   668:20      Double   Ambig  )
 &rst
  ixpk= 668, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1486,1487,1503,1504,
 igr2=1483,1484,1483,1484,
 &end
#
#  94 ALA          HN   95 PRO         HD+  5.50   (#   669:20  Preassigned   2.96, 3.69 A)
 &rst
  ixpk= 669, nxpk= 20, iat=1472,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1483,1484,
 &end
#
#  94 ALA          MB   95 PRO         HD+  5.50   (#   671:20  Preassigned   4.05, 4.89 A)
 &rst
  ixpk= 671, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1476,1477,1478,
 igr2=1483,1484,
 &end
#
#   0 AMB    20-2:672    0 AMB    20-1:672  5.50   (#   672:20      Double   Ambig  )
 &rst
  ixpk= 672, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1489,1490,1503,1504,
 igr2=1483,1484,1483,1484,
 &end
#
#  94 ALA          HN   95 PRO         HD-  5.50   (#   673:20  Preassigned   2.96, 3.69 A)
 &rst
  ixpk= 673, nxpk= 20, iat=1472,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1483,1484,
 &end
#
#  17 PRO         HG-   17 PRO         HD+  5.50   (#   674:20  Preassigned   2.23, 2.59 A)
 &rst
  ixpk= 674, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 256, 257,
 igr2= 253, 254,
 &end
#
#  17 PRO         HG+   17 PRO         HD+  5.50   (#   678:20  Preassigned   2.23, 2.59 A)
 &rst
  ixpk= 678, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 256, 257,
 igr2= 253, 254,
 &end
#
#  17 PRO         HG+   17 PRO         HD+  5.50   (#   679:20      Unique   2.23, 2.59 A)
 &rst
  ixpk= 679, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 256, 257,
 igr2= 253, 254,
 &end
#
#  17 PRO         HG+   17 PRO         HD-  5.50   (#   683:20  Preassigned   2.23, 2.59 A)
 &rst
  ixpk= 683, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 256, 257,
 igr2= 253, 254,
 &end
#
#  17 PRO         HG-   17 PRO         HD-  5.50   (#   684:20  Preassigned   2.23, 2.59 A)
 &rst
  ixpk= 684, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 256, 257,
 igr2= 253, 254,
 &end
#
#  39 ALA          HN   38 GLY         HA+  4.00   (#   685:20  Preassigned   2.46, 3.09 A)
 &rst
  ixpk= 685, nxpk= 20, iat= 601,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 596, 597,
 &end
#
#  38 GLY          HN   38 GLY         HA+  4.00   (#   687:20  Preassigned   2.46, 2.76 A)
 &rst
  ixpk= 687, nxpk= 20, iat= 594,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 596, 597,
 &end
#
#  46 ASP          HN   46 ASP         HB+  4.00   (#   689:20  Preassigned   2.41, 2.55 A)
 &rst
  ixpk= 689, nxpk= 20, iat= 692,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 696, 697,
 &end
#
#  49 ALA          MB   46 ASP         HB+  5.50   (#   692:20  Preassigned   2.20, 4.11 A)
 &rst
  ixpk= 692, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 736, 737, 738,
 igr2= 696, 697,
 &end
#
#  46 ASP          HN   46 ASP         HB-  5.50   (#   693:20  Preassigned   2.41, 2.55 A)
 &rst
  ixpk= 693, nxpk= 20, iat= 692,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 696, 697,
 &end
#
#  49 ALA          HN   46 ASP         HB-  5.50   (#   694:20  Preassigned   2.38, 3.51 A)
 &rst
  ixpk= 694, nxpk= 20, iat= 732,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 696, 697,
 &end
#
#  49 ALA          MB   46 ASP         HB-  5.50   (#   696:20  Preassigned   2.20, 4.11 A)
 &rst
  ixpk= 696, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 736, 737, 738,
 igr2= 696, 697,
 &end
#
#   0 AMB    20-2:698    0 AMB    20-1:698  4.00   (#   698:20      Double   Ambig  )
 &rst
  ixpk= 698, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
 igr1=  75,  76,  77,1195,1196,1197,1199,1200,1201,
 igr2=1190,1191,1190,1191,
 &end
#
#   5 ILE         QD1   78 LEU         HB+  5.50   (#   699:20  Preassigned   2.28, 4.54 A)
 &rst
  ixpk= 699, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  82,  83,  84,
 igr2=1190,1191,
 &end
#
#  78 LEU         MDX   78 LEU         HB+  4.00   (#   700:20  Preassigned   2.39, 3.37 A)
 &rst
  ixpk= 700, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1195,1196,1197,1199,1200,1201,
 igr2=1190,1191,
 &end
#
#  78 LEU          HG   78 LEU         HB+  4.00   (#   701:20  Preassigned   2.33, 2.70 A)
 &rst
  ixpk= 701, nxpk= 20, iat=1193,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1190,1191,
 &end
#
#  78 LEU          HN   78 LEU         HB+  5.50   (#   702:20  Preassigned   2.73, 3.11 A)
 &rst
  ixpk= 702, nxpk= 20, iat=1186,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1190,1191,
 &end
#
#  78 LEU          HA   78 LEU         HB+  5.50   (#   703:20  Preassigned   2.44, 2.80 A)
 &rst
  ixpk= 703, nxpk= 20, iat=1188,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1190,1191,
 &end
#
#  78 LEU         MDX   78 LEU         HB-  4.00   (#   704:20  Preassigned   2.39, 3.37 A)
 &rst
  ixpk= 704, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1195,1196,1197,1199,1200,1201,
 igr2=1190,1191,
 &end
#
#  78 LEU          HA   78 LEU         HB-  5.50   (#   705:20  Preassigned   2.44, 2.80 A)
 &rst
  ixpk= 705, nxpk= 20, iat=1188,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1190,1191,
 &end
#
#  78 LEU          HG   78 LEU         HB-  5.50   (#   706:20  Preassigned   2.33, 2.70 A)
 &rst
  ixpk= 706, nxpk= 20, iat=1193,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1190,1191,
 &end
#
#   0 AMB    20-2:707   78 LEU         HB-  4.00   (#   707:20      Single   Ambig  )
 &rst
  ixpk= 707, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1=  75,  76,  77,1195,1196,1197,1199,1200,1201,
 igr2=1190,1191,
 &end
#
#   5 ILE         QD1   78 LEU         HB-  6.00   (#   709:20  Preassigned   2.28, 4.54 A)
 &rst
  ixpk= 709, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=  82,  83,  84,
 igr2=1190,1191,
 &end
#
#  63 HIS          HN   62 GLY         HA-  5.50   (#   710:20  Preassigned   2.14, 3.09 A)
 &rst
  ixpk= 710, nxpk= 20, iat= 928,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 923, 924,
 &end
#
#  62 GLY          HN   62 GLY         HA-  5.50   (#   711:20  Preassigned   2.27, 2.66 A)
 &rst
  ixpk= 711, nxpk= 20, iat= 921,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 923, 924,
 &end
#
#  80 LEU          HA   80 LEU         HB+  5.50   (#   713:20  Preassigned   2.38, 2.73 A)
 &rst
  ixpk= 713, nxpk= 20, iat=1226,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1228,1229,
 &end
#
#   7 VAL         MGY   80 LEU         HB+  5.50   (#   715:20  Preassigned   2.26, 4.55 A)
 &rst
  ixpk= 715, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 113, 114, 115, 117, 118, 119,
 igr2=1228,1229,
 &end
#
#  80 LEU         MDX   80 LEU         HB+  4.00   (#   716:20  Preassigned   2.36, 3.42 A)
 &rst
  ixpk= 716, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1233,1234,1235,1237,1238,1239,
 igr2=1228,1229,
 &end
#
#  80 LEU          HN   80 LEU         HB+  7.00   (#   717:20  Preassigned   2.25, 3.07 A)
 &rst
  ixpk= 717, nxpk= 20, iat=1224,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1228,1229,
 &end
#
#  80 LEU         MDY   80 LEU         HB+  5.50   (#   718:20  Preassigned   2.36, 3.42 A)
 &rst
  ixpk= 718, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1233,1234,1235,1237,1238,1239,
 igr2=1228,1229,
 &end
#
#  80 LEU         MDX   80 LEU         HB+  4.00   (#   719:20  Preassigned   2.36, 3.42 A)
 &rst
  ixpk= 719, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1233,1234,1235,1237,1238,1239,
 igr2=1228,1229,
 &end
#
#  80 LEU         MDY   80 LEU         HB-  5.50   (#   720:20  Preassigned   2.36, 3.42 A)
 &rst
  ixpk= 720, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1233,1234,1235,1237,1238,1239,
 igr2=1228,1229,
 &end
#
#  80 LEU         MDX   80 LEU         HB-  5.50   (#   721:20  Preassigned   2.36, 3.42 A)
 &rst
  ixpk= 721, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1233,1234,1235,1237,1238,1239,
 igr2=1228,1229,
 &end
#
# 104 PHE          HD   80 LEU         HB-  5.50   (#   722:20  Preassigned   2.48, 4.51 A)
 &rst
  ixpk= 722, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1641,1649,
 igr2=1228,1229,
 &end
#
#  80 LEU          HN   80 LEU         HB-  5.50   (#   724:20  Preassigned   2.25, 3.07 A)
 &rst
  ixpk= 724, nxpk= 20, iat=1224,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1228,1229,
 &end
#
# 105 GLY          HN  105 GLY         HA-  5.50   (#   726:20  Preassigned   2.26, 2.58 A)
 &rst
  ixpk= 726, nxpk= 20, iat=1653,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1655,1656,
 &end
#
#  99 GLY          HN   99 GLY         HA+  5.50   (#   728:20  Preassigned   2.27, 2.59 A)
 &rst
  ixpk= 728, nxpk= 20, iat=1552,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1554,1555,
 &end
#
#  41 VAL         MGX   42 GLY         HA+  5.50   (#   730:20  Preassigned   3.53, 5.74 A)
 &rst
  ixpk= 730, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 636, 637, 638, 640, 641, 642,
 igr2= 648, 649,
 &end
#
#  43 LYS          HN   42 GLY         HA+  5.50   (#   731:20  Preassigned   2.98, 3.34 A)
 &rst
  ixpk= 731, nxpk= 20, iat= 653,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 648, 649,
 &end
#
#  42 GLY          HN   42 GLY         HA+  5.50   (#   732:20  Preassigned   2.28, 2.67 A)
 &rst
  ixpk= 732, nxpk= 20, iat= 646,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 648, 649,
 &end
#
#  99 GLY          HN   99 GLY         HA-  4.00   (#   740:20  Preassigned   2.27, 2.59 A)
 &rst
  ixpk= 740, nxpk= 20, iat=1552,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1554,1555,
 &end
#
#  43 LYS          HN   42 GLY         HA-  5.50   (#   742:20  Preassigned   2.98, 3.34 A)
 &rst
  ixpk= 742, nxpk= 20, iat= 653,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 648, 649,
 &end
#
#  42 GLY          HN   42 GLY         HA-  4.00   (#   743:20  Preassigned   2.28, 2.67 A)
 &rst
  ixpk= 743, nxpk= 20, iat= 646,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 648, 649,
 &end
#
#  41 VAL         MGX   42 GLY         HA-  5.50   (#   744:20  Preassigned   3.53, 5.74 A)
 &rst
  ixpk= 744, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 636, 637, 638, 640, 641, 642,
 igr2= 648, 649,
 &end
#
#  41 VAL          HA   42 GLY         HA-  5.50   (#   745:20  Preassigned   4.31, 4.41 A)
 &rst
  ixpk= 745, nxpk= 20, iat= 632,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 648, 649,
 &end
#
#  25 ARG         HG+   25 ARG         HD-  4.00   (#   746:20  Preassigned   2.30, 2.70 A)
 &rst
  ixpk= 746, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 391, 392,
 igr2= 394, 395,
 &end
#
#  25 ARG         HG+   25 ARG         HD+  4.00   (#   747:20  Preassigned   2.30, 2.70 A)
 &rst
  ixpk= 747, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 391, 392,
 igr2= 394, 395,
 &end
#
#  25 ARG         HG-   25 ARG         HD+  4.00   (#   749:20  Preassigned   2.30, 2.70 A)
 &rst
  ixpk= 749, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 391, 392,
 igr2= 394, 395,
 &end
#
#   0 AMB    20-2:750   77 ASP         HB-  5.50   (#   750:20      Single   Ambig  )
 &rst
  ixpk= 750, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  55,  41,
 igr2=1178,1179,
 &end
#
#  58 LEU         MDY   58 LEU         HB+  5.50   (#   751:20  Preassigned   2.35, 3.38 A)
 &rst
  ixpk= 751, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 866, 867, 868, 870, 871, 872,
 igr2= 861, 862,
 &end
#
#  58 LEU          HA   58 LEU         HB+  5.50   (#   752:20  Preassigned   2.40, 2.79 A)
 &rst
  ixpk= 752, nxpk= 20, iat= 859,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 861, 862,
 &end
#
#  58 LEU         MDX   58 LEU         HB-  5.50   (#   753:20  Preassigned   2.35, 3.38 A)
 &rst
  ixpk= 753, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 866, 867, 868, 870, 871, 872,
 igr2= 861, 862,
 &end
#
#  58 LEU          HN   58 LEU         HB-  5.50   (#   755:20  Preassigned   2.19, 2.82 A)
 &rst
  ixpk= 755, nxpk= 20, iat= 857,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 861, 862,
 &end
#
#  53 ALA          MB   58 LEU         HB-  5.50   (#   757:20  Preassigned   2.24, 4.51 A)
 &rst
  ixpk= 757, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 792, 793, 794,
 igr2= 861, 862,
 &end
#
#  35 ALA          MB   66 ARG         HD+  5.50   (#   758:20  Preassigned   2.20, 5.07 A)
 &rst
  ixpk= 758, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 562, 563, 564,
 igr2= 976, 977,
 &end
#
#  25 ARG         HG-   25 ARG         HD-  4.00   (#   759:20  Preassigned   2.30, 2.70 A)
 &rst
  ixpk= 759, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 391, 392,
 igr2= 394, 395,
 &end
#
#  25 ARG          HA   25 ARG         HD-  5.50   (#   760:20  Preassigned   3.82, 4.59 A)
 &rst
  ixpk= 760, nxpk= 20, iat= 386,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 394, 395,
 &end
#
#  22 LEU         HB-   25 ARG         HD-  5.50   (#   761:20  Preassigned   4.22, 6.47 A)
 &rst
  ixpk= 761, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 333, 334,
 igr2= 394, 395,
 &end
#
#  22 LEU         MDX   25 ARG         HD-  5.50   (#   762:20  Preassigned   2.36, 6.11 A)
 &rst
  ixpk= 762, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2= 394, 395,
 &end
#
#  36 GLY          HN   36 GLY         HA+  5.50   (#   763:20  Preassigned   2.38, 2.76 A)
 &rst
  ixpk= 763, nxpk= 20, iat= 568,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 570, 571,
 &end
#
#  58 LEU         MDY   25 ARG         HD-  5.50   (#   764:20  Preassigned   2.36, 5.51 A)
 &rst
  ixpk= 764, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 866, 867, 868, 870, 871, 872,
 igr2= 394, 395,
 &end
#
#   0 AMB    20-2:765    0 AMB    20-1:765  5.50   (#   765:20      Double   Ambig  )
 &rst
  ixpk= 765, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 605, 606, 607, 338, 339, 340, 342, 343, 344,
 igr2= 570, 571, 394, 395,
 &end
#
#  37 LEU          HN   36 GLY         HA+  5.50   (#   766:20  Preassigned   2.14, 2.51 A)
 &rst
  ixpk= 766, nxpk= 20, iat= 575,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 570, 571,
 &end
#
#  22 LEU         MDX   25 ARG         HD+  5.50   (#   767:20  Preassigned   2.36, 6.11 A)
 &rst
  ixpk= 767, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2= 394, 395,
 &end
#
#  77 ASP          HN   77 ASP         HB-  5.50   (#   769:20  Preassigned   2.45, 2.80 A)
 &rst
  ixpk= 769, nxpk= 20, iat=1174,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1178,1179,
 &end
#
#  78 LEU          HN   77 ASP         HB-  5.50   (#   772:20  Preassigned   3.07, 3.87 A)
 &rst
  ixpk= 772, nxpk= 20, iat=1186,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1178,1179,
 &end
#
#  58 LEU          HN   58 LEU         HB+  5.50   (#   773:20  Preassigned   2.19, 2.82 A)
 &rst
  ixpk= 773, nxpk= 20, iat= 857,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 861, 862,
 &end
#
#   0 AMB    20-2:775    0 AMB    20-1:775  4.00   (#   775:20      Double   Ambig  )
 &rst
  ixpk= 775, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.63, r4= 8.38,
 igr1= 866, 867, 868, 870, 871, 872, 357, 358, 359, 361,
       362, 363,
 igr2= 861, 862, 333, 334,
 &end
#
#  58 LEU         MDY   58 LEU         HB+  4.00   (#   776:20  Preassigned   2.35, 3.38 A)
 &rst
  ixpk= 776, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 866, 867, 868, 870, 871, 872,
 igr2= 861, 862,
 &end
#
#  53 ALA          MB   58 LEU         HB+  5.50   (#   777:20  Preassigned   2.24, 4.51 A)
 &rst
  ixpk= 777, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 792, 793, 794,
 igr2= 861, 862,
 &end
#
#  37 LEU          HA   37 LEU         HB-  5.50   (#   778:20  Preassigned   2.44, 2.79 A)
 &rst
  ixpk= 778, nxpk= 20, iat= 577,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 579, 580,
 &end
#
#  58 LEU          HN   58 LEU         HB-  5.50   (#   779:20  Preassigned   2.19, 2.82 A)
 &rst
  ixpk= 779, nxpk= 20, iat= 857,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 861, 862,
 &end
#
#  53 ALA          MB   58 LEU         HB-  5.50   (#   780:20  Preassigned   2.24, 4.51 A)
 &rst
  ixpk= 780, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 792, 793, 794,
 igr2= 861, 862,
 &end
#
#  58 LEU         MDY   58 LEU         HB-  4.00   (#   781:20  Preassigned   2.35, 3.38 A)
 &rst
  ixpk= 781, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 866, 867, 868, 870, 871, 872,
 igr2= 861, 862,
 &end
#
#  58 LEU          HA   58 LEU         HB-  5.50   (#   782:20  Preassigned   2.40, 2.79 A)
 &rst
  ixpk= 782, nxpk= 20, iat= 859,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 861, 862,
 &end
#
#  70 ARG         HG-   70 ARG         HD-  4.00   (#   790:20  Preassigned   2.34, 2.67 A)
 &rst
  ixpk= 790, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1044,1045,
 igr2=1047,1048,
 &end
#
#  66 ARG          HE   66 ARG         HD+  5.50   (#   791:20  Preassigned   2.25, 2.76 A)
 &rst
  ixpk= 791, nxpk= 20, iat= 979,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 976, 977,
 &end
#
#   0 AMB    20-2:793    0 AMB    20-1:793  4.00   (#   793:20      Double   Ambig  )
 &rst
  ixpk= 793, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
 igr1= 973, 974,1044,1045,
 igr2= 976, 977,1047,1048,
 &end
#
# 133 ARG          HE  133 ARG         HD-  5.50   (#   795:20  Preassigned   2.25, 2.70 A)
 &rst
  ixpk= 795, nxpk= 20, iat=2115,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2112,2113,
 &end
#
#   0 AMB    20-2:797    0 AMB    20-1:797  5.50   (#   797:20      Double   Ambig  )
 &rst
  ixpk= 797, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=2058,2059,2060,2062,2063,2064, 605, 606, 607,
 igr2=2112,2113, 976, 977,
 &end
#
#  22 LEU          HA   22 LEU         HB+  5.50   (#   800:20  Preassigned   2.55, 2.82 A)
 &rst
  ixpk= 800, nxpk= 20, iat= 331,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 333, 334,
 &end
#
#  37 LEU         MDY   37 LEU         HB-  2.80   (#   802:20  Preassigned   2.31, 3.34 A)
 &rst
  ixpk= 802, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 584, 585, 586, 588, 589, 590,
 igr2= 579, 580,
 &end
#
#  37 LEU         MDX   37 LEU         HB-  4.00   (#   805:20  Preassigned   2.31, 3.34 A)
 &rst
  ixpk= 805, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 584, 585, 586, 588, 589, 590,
 igr2= 579, 580,
 &end
#
#  37 LEU          HN   37 LEU         HB+  5.50   (#   807:20  Preassigned   2.14, 2.58 A)
 &rst
  ixpk= 807, nxpk= 20, iat= 575,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 579, 580,
 &end
#
#  37 LEU         MDY   37 LEU         HB+  5.50   (#   808:20  Preassigned   2.31, 3.34 A)
 &rst
  ixpk= 808, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 584, 585, 586, 588, 589, 590,
 igr2= 579, 580,
 &end
#
#  37 LEU         MDX   37 LEU         HB+  5.50   (#   809:20  Preassigned   2.31, 3.34 A)
 &rst
  ixpk= 809, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 584, 585, 586, 588, 589, 590,
 igr2= 579, 580,
 &end
#
#  45 ALA          HN   44 GLY         HA+  5.50   (#   813:20  Preassigned   2.39, 2.65 A)
 &rst
  ixpk= 813, nxpk= 20, iat= 682,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 677, 678,
 &end
#
#  44 GLY          HN   44 GLY         HA+  4.00   (#   814:20  Preassigned   2.33, 2.68 A)
 &rst
  ixpk= 814, nxpk= 20, iat= 675,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 677, 678,
 &end
#
#   0 AMB    20-2:816    0 AMB    20-1:816  4.00   (#   816:20      Double   Ambig  )
 &rst
  ixpk= 816, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
 igr1=1318,1319,2109,2110,
 igr2=1321,1322,2112,2113,
 &end
#
#   0 AMB    20-2:818   98 ARG         HD-  2.80   (#   818:20      Single   Ambig  )
 &rst
  ixpk= 818, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1535,1536,1532,1533,
 igr2=1538,1539,
 &end
#
#  95 PRO         HB+   98 ARG         HD-  4.00   (#   820:20  Preassigned   3.65, 5.14 A)
 &rst
  ixpk= 820, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1489,1490,
 igr2=1538,1539,
 &end
#
#  98 ARG         HG+   98 ARG         HD-  2.80   (#   821:20  Preassigned   2.35, 2.71 A)
 &rst
  ixpk= 821, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1535,1536,
 igr2=1538,1539,
 &end
#
# 133 ARG         HG-  133 ARG         HD+  5.50   (#   822:20  Preassigned   2.35, 2.66 A)
 &rst
  ixpk= 822, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2109,2110,
 igr2=2112,2113,
 &end
#
# 133 ARG          HE  133 ARG         HD+  5.50   (#   823:20  Preassigned   2.25, 2.70 A)
 &rst
  ixpk= 823, nxpk= 20, iat=2115,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2112,2113,
 &end
#
# 133 ARG         HG-  133 ARG         HD+  4.00   (#   824:20  Preassigned   2.35, 2.66 A)
 &rst
  ixpk= 824, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=2109,2110,
 igr2=2112,2113,
 &end
#
# 136 ARG          HN    0 AMB    20-1:825  7.00   (#   825:20      Single   Ambig  )
 &rst
  ixpk= 825, nxpk= 20, iat=2147,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr2=2157,2158,2157,2158,
 &end
#
# 117 TYR          HD    0 AMB    20-1:826  5.50   (#   826:20      Single   Ambig  )
 &rst
  ixpk= 826, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1835,1844,
 igr2=1858,1859,1858,1859,
 &end
#
#  22 LEU          HN   22 LEU         HB+  5.50   (#   827:20  Preassigned   2.20, 2.94 A)
 &rst
  ixpk= 827, nxpk= 20, iat= 329,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 333, 334,
 &end
#
#  22 LEU         MDY   22 LEU         HB+  5.50   (#   828:20  Preassigned   2.34, 3.30 A)
 &rst
  ixpk= 828, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2= 333, 334,
 &end
#
#   8 VAL         MGX   37 LEU         HB-  5.50   (#   830:20  Preassigned   2.44, 6.24 A)
 &rst
  ixpk= 830, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 129, 130, 131, 133, 134, 135,
 igr2= 579, 580,
 &end
#
#  37 LEU         MDY   37 LEU         HB+  5.50   (#   833:20  Preassigned   2.31, 3.34 A)
 &rst
  ixpk= 833, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 584, 585, 586, 588, 589, 590,
 igr2= 579, 580,
 &end
#
#  22 LEU          HA   22 LEU         HB-  5.50   (#   834:20  Preassigned   2.55, 2.82 A)
 &rst
  ixpk= 834, nxpk= 20, iat= 331,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 333, 334,
 &end
#
#  22 LEU          HN   22 LEU         HB-  5.50   (#   835:20  Preassigned   2.20, 2.94 A)
 &rst
  ixpk= 835, nxpk= 20, iat= 329,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 333, 334,
 &end
#
# 135 ALA          MB   22 LEU         HB-  4.00   (#   837:20  Preassigned   2.30, 3.18 A)
 &rst
  ixpk= 837, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=2141,2142,2143,
 igr2= 333, 334,
 &end
#
#  22 LEU         MDY   22 LEU         HB-  5.50   (#   838:20  Preassigned   2.34, 3.30 A)
 &rst
  ixpk= 838, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2= 333, 334,
 &end
#
#  63 HIS         HD2   44 GLY         HA+  5.50   (#   839:20  Preassigned   2.45, 4.53 A)
 &rst
  ixpk= 839, nxpk= 20, iat= 941,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 677, 678,
 &end
#
#  89 ARG          HA   89 ARG         HD-  5.50   (#   840:20  Preassigned   2.11, 3.70 A)
 &rst
  ixpk= 840, nxpk= 20, iat=1388,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1396,1397,
 &end
#
#  89 ARG         HG-   89 ARG         HD-  5.50   (#   842:20  Preassigned   2.29, 2.68 A)
 &rst
  ixpk= 842, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1393,1394,
 igr2=1396,1397,
 &end
#
#  89 ARG         HB+   89 ARG         HD-  4.00   (#   843:20  Preassigned   2.40, 3.33 A)
 &rst
  ixpk= 843, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1390,1391,
 igr2=1396,1397,
 &end
#
# 132 GLU         HG-  136 ARG         HD+  5.50   (#   848:20  Preassigned   2.69, 5.54 A)
 &rst
  ixpk= 848, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2094,2095,
 igr2=2157,2158,
 &end
#
#   0 AMB    20-2:849    0 AMB    20-1:849  4.00   (#   849:20      Double   Ambig  )
 &rst
  ixpk= 849, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
 igr1=2151,2152,2151,2152,
 igr2=2157,2158,2157,2158,
 &end
#
# 136 ARG         HG-    0 AMB    20-1:850  4.00   (#   850:20      Single   Ambig  )
 &rst
  ixpk= 850, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
 igr1=2154,2155,
 igr2=2157,2158,2157,2158,
 &end
#
# 136 ARG         HB-    0 AMB    20-1:851  4.00   (#   851:20      Single   Ambig  )
 &rst
  ixpk= 851, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
 igr1=2151,2152,
 igr2=2157,2158,2157,2158,
 &end
#
# 136 ARG          HN    0 AMB    20-1:852  5.50   (#   852:20      Single   Ambig  )
 &rst
  ixpk= 852, nxpk= 20, iat=2147,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=2157,2158,2157,2158,
 &end
#
#   0 AMB    20-2:853    0 AMB    20-1:853  5.50   (#   853:20      Double   Ambig  )
 &rst
  ixpk= 853, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=2151,2152,2151,2152,
 igr2=2157,2158,2157,2158,
 &end
#
# 136 ARG         HB-    0 AMB    20-1:854  5.50   (#   854:20      Single   Ambig  )
 &rst
  ixpk= 854, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=2151,2152,
 igr2=2157,2158,2157,2158,
 &end
#
# 136 ARG         HG-    0 AMB    20-1:855  4.00   (#   855:20      Single   Ambig  )
 &rst
  ixpk= 855, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
 igr1=2154,2155,
 igr2=2157,2158,2157,2158,
 &end
#
#   0 AMB    20-2:856    0 AMB    20-1:856  5.50   (#   856:20      Double   Ambig  )
 &rst
  ixpk= 856, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=2154,2155,2154,2155,
 igr2=2157,2158,2157,2158,
 &end
#
# 118 ARG          HN    0 AMB    20-1:857  5.50   (#   857:20      Single   Ambig  )
 &rst
  ixpk= 857, nxpk= 20, iat=1848,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1858,1859,1858,1859,
 &end
#
# 118 ARG          HA    0 AMB    20-1:859  5.50   (#   859:20      Single   Ambig  )
 &rst
  ixpk= 859, nxpk= 20, iat=1850,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1858,1859,1858,1859,
 &end
#
# 118 ARG         HG-    0 AMB    20-1:861  2.80   (#   861:20      Single   Ambig  )
 &rst
  ixpk= 861, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1855,1856,
 igr2=1858,1859,1858,1859,
 &end
#
#   0 AMB    20-2:862    0 AMB    20-1:862  2.80   (#   862:20      Double   Ambig  )
 &rst
  ixpk= 862, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1855,1856,1855,1856,
 igr2=1858,1859,1858,1859,
 &end
#
#   6 LEU         MDY    6 LEU         HB-  5.50   (#   864:20  Preassigned   2.44, 3.32 A)
 &rst
  ixpk= 864, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2=  92,  93,
 &end
#
#   6 LEU         MDX    6 LEU         HB-  5.50   (#   865:20  Preassigned   2.44, 3.32 A)
 &rst
  ixpk= 865, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2=  92,  93,
 &end
#
#   6 LEU          HG    6 LEU         HB+  5.50   (#   867:20  Preassigned   2.41, 2.78 A)
 &rst
  ixpk= 867, nxpk= 20, iat=  95,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  92,  93,
 &end
#
#   6 LEU          HA    6 LEU         HB+  5.50   (#   868:20  Preassigned   2.46, 2.77 A)
 &rst
  ixpk= 868, nxpk= 20, iat=  90,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  92,  93,
 &end
#
#  89 ARG          HA   89 ARG         HD-  5.50   (#   872:20  Preassigned   2.11, 3.70 A)
 &rst
  ixpk= 872, nxpk= 20, iat=1388,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1396,1397,
 &end
#
#   0 AMB    20-2:873    0 AMB    20-1:873  5.50   (#   873:20      Double   Ambig  )
 &rst
  ixpk= 873, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1532,1533,1390,1391,
 igr2=1538,1539,1396,1397,
 &end
#
#  98 ARG         HG+   98 ARG         HD+  4.00   (#   874:20  Preassigned   2.35, 2.71 A)
 &rst
  ixpk= 874, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1535,1536,
 igr2=1538,1539,
 &end
#
# 121 ARG         HG+  121 ARG         HD+  5.50   (#   876:20  Preassigned   2.35, 2.70 A)
 &rst
  ixpk= 876, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1912,1913,
 igr2=1915,1916,
 &end
#
#  52 VAL         MGY  121 ARG         HD+  5.50   (#   877:20  Preassigned   2.63, 6.36 A)
 &rst
  ixpk= 877, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 778, 779, 780, 782, 783, 784,
 igr2=1915,1916,
 &end
#
#   0 AMB    20-2:878    0 AMB    20-1:878  5.50   (#   878:20      Double   Ambig  )
 &rst
  ixpk= 878, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1929,1978,
 igr2=1915,1916,1915,1916,
 &end
#
#   0 AMB    20-2:880    0 AMB    20-1:880  4.00   (#   880:20      Double   Ambig  )
 &rst
  ixpk= 880, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
 igr1=1909,1910,1281,1282,
 igr2=1915,1916,1321,1322,
 &end
#
#   0 AMB    20-2:881    0 AMB    20-1:881  4.00   (#   881:20      Double   Ambig  )
 &rst
  ixpk= 881, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
 igr1=2058,2059,2060,2062,2063,2064,1781,1782,1783,
 igr2=2053,2054,2053,2054,
 &end
#
# 130 LEU          HN  130 LEU         HB+  5.50   (#   882:20  Preassigned   2.06, 2.42 A)
 &rst
  ixpk= 882, nxpk= 20, iat=2049,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2053,2054,
 &end
#
#  31 LYS          HN   30 LEU         HB-  6.00   (#   885:20  Preassigned   2.05, 3.80 A)
 &rst
  ixpk= 885, nxpk= 20, iat= 494,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 479, 480,
 &end
#
#  30 LEU         MDY   30 LEU         HB-  5.50   (#   886:20  Preassigned   2.35, 3.37 A)
 &rst
  ixpk= 886, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 484, 485, 486, 488, 489, 490,
 igr2= 479, 480,
 &end
#
#  30 LEU          HA   30 LEU         HB-  5.50   (#   887:20  Preassigned   2.42, 2.78 A)
 &rst
  ixpk= 887, nxpk= 20, iat= 477,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 479, 480,
 &end
#
#   0 AMB    20-2:888   30 LEU         HB-  4.00   (#   888:20      Single   Ambig  )
 &rst
  ixpk= 888, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1= 484, 485, 486, 488, 489, 490,  82,  83,  84,
 igr2= 479, 480,
 &end
#
#  24 GLN          HA   30 LEU         HB-  5.50   (#   889:20  Preassigned   3.91, 5.41 A)
 &rst
  ixpk= 889, nxpk= 20, iat= 369,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 479, 480,
 &end
#
# 130 LEU          HA  130 LEU         HB-  5.50   (#   891:20  Preassigned   2.30, 2.72 A)
 &rst
  ixpk= 891, nxpk= 20, iat=2051,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2053,2054,
 &end
#
#  30 LEU          HA   30 LEU         HB+  5.50   (#   893:20  Preassigned   2.42, 2.78 A)
 &rst
  ixpk= 893, nxpk= 20, iat= 477,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 479, 480,
 &end
#
#   0 AMB    20-2:894    0 AMB    20-1:894  4.00   (#   894:20      Double   Ambig  )
 &rst
  ixpk= 894, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
 igr1= 484, 485, 486, 488, 489, 490,  82,  83,  84,
 igr2= 479, 480, 479, 480,
 &end
#
#  30 LEU          HN   30 LEU         HB+  5.50   (#   895:20  Preassigned   2.34, 2.90 A)
 &rst
  ixpk= 895, nxpk= 20, iat= 475,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 479, 480,
 &end
#
#   6 LEU         MDY    6 LEU         HB+  5.50   (#   897:20  Preassigned   2.44, 3.32 A)
 &rst
  ixpk= 897, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2=  92,  93,
 &end
#
# 121 ARG         HG+  121 ARG         HD+  4.00   (#   898:20  Preassigned   2.35, 2.70 A)
 &rst
  ixpk= 898, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1912,1913,
 igr2=1915,1916,
 &end
#
# 130 LEU          HG  130 LEU         HB+  4.00   (#   900:20  Preassigned   2.31, 2.66 A)
 &rst
  ixpk= 900, nxpk= 20, iat=2056,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=2053,2054,
 &end
#
# 127 VAL          HA  130 LEU         HB+  5.50   (#   901:20  Preassigned   2.23, 2.97 A)
 &rst
  ixpk= 901, nxpk= 20, iat=2000,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2053,2054,
 &end
#
#  69 SER         HB+   72 LEU         HB+  5.50   (#   902:20  Preassigned   3.52, 5.39 A)
 &rst
  ixpk= 902, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1030,1031,
 igr2=1089,1090,
 &end
#
#   0 AMB    20-2:903    0 AMB    20-1:903  5.50   (#   903:20      Double   Ambig  )
 &rst
  ixpk= 903, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1085,1104,
 igr2=1089,1090,1089,1090,
 &end
#
#  69 SER          HN   72 LEU         HB+  5.50   (#   904:20  Preassigned   1.87, 2.86 A)
 &rst
  ixpk= 904, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1089,1090,
 &end
#
#  72 LEU          HA   72 LEU         HB+  5.50   (#   905:20  Preassigned   2.48, 2.81 A)
 &rst
  ixpk= 905, nxpk= 20, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1089,1090,
 &end
#
#  72 LEU         MDY   72 LEU         HB+  4.00   (#   906:20  Preassigned   2.37, 3.34 A)
 &rst
  ixpk= 906, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1094,1095,1096,1098,1099,1100,
 igr2=1089,1090,
 &end
#
#   0 AMB    20-2:907    0 AMB    20-1:907  4.00   (#   907:20      Double   Ambig  )
 &rst
  ixpk= 907, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.63, r4= 8.38,
 igr1=1094,1095,1096,1098,1099,1100, 357, 358, 359, 361,
       362, 363,
 igr2=1089,1090, 352, 353,
 &end
#
#   0 AMB    20-2:908   72 LEU         HB-  4.00   (#   908:20      Single   Ambig  )
 &rst
  ixpk= 908, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1085,1104,
 igr2=1089,1090,
 &end
#
#  69 SER          HN   72 LEU         HB-  5.50   (#   909:20  Preassigned   1.87, 2.86 A)
 &rst
  ixpk= 909, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1089,1090,
 &end
#
#  72 LEU          HA   72 LEU         HB-  4.00   (#   910:20  Preassigned   2.48, 2.81 A)
 &rst
  ixpk= 910, nxpk= 20, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1089,1090,
 &end
#
#  68 ILE          HA   72 LEU         HB-  5.50   (#   911:20  Preassigned   2.96, 3.61 A)
 &rst
  ixpk= 911, nxpk= 20, iat=1009,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1089,1090,
 &end
#
#   0 AMB    20-2:912    0 AMB    20-1:912  4.00   (#   912:20      Double   Ambig  )
 &rst
  ixpk= 912, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.63, r4= 8.38,
 igr1=1094,1095,1096,1098,1099,1100, 357, 358, 359, 361,
       362, 363,
 igr2=1089,1090, 352, 353,
 &end
#
#  72 LEU         MDY   72 LEU         HB-  4.00   (#   913:20  Preassigned   2.37, 3.34 A)
 &rst
  ixpk= 913, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1094,1095,1096,1098,1099,1100,
 igr2=1089,1090,
 &end
#
#  30 LEU          HN   30 LEU         HB-  5.50   (#   917:20  Preassigned   2.34, 2.90 A)
 &rst
  ixpk= 917, nxpk= 20, iat= 475,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 479, 480,
 &end
#
# 130 LEU          HN  130 LEU         HB-  5.50   (#   918:20  Preassigned   2.06, 2.42 A)
 &rst
  ixpk= 918, nxpk= 20, iat=2049,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2053,2054,
 &end
#
# 130 LEU          HG  130 LEU         HB-  5.50   (#   920:20  Preassigned   2.31, 2.66 A)
 &rst
  ixpk= 920, nxpk= 20, iat=2056,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2053,2054,
 &end
#
#  43 LYS         HB+   43 LYS         HE+  5.50   (#   926:20  Preassigned   2.12, 4.09 A)
 &rst
  ixpk= 926, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 657, 658,
 igr2= 666, 667,
 &end
#
#  43 LYS         HG-   43 LYS         HE+  4.00   (#   928:20  Preassigned   2.25, 3.20 A)
 &rst
  ixpk= 928, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 660, 661,
 igr2= 666, 667,
 &end
#
# 115 ASP          HN  115 ASP         HB+  4.00   (#   929:20  Preassigned   2.32, 2.78 A)
 &rst
  ixpk= 929, nxpk= 20, iat=1801,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1805,1806,
 &end
#
# 119 LYS         HG-  119 LYS         HE+  4.00   (#   930:20  Preassigned   2.45, 3.39 A)
 &rst
  ixpk= 930, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1879,1880,
 igr2=1885,1886,
 &end
#
# 115 ASP          HA  115 ASP         HB-  5.50   (#   931:20      Unique   2.33, 2.71 A)
 &rst
  ixpk= 931, nxpk= 20, iat=1803,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1805,1806,
 &end
#
# 115 ASP          HN  115 ASP         HB-  4.00   (#   932:20  Preassigned   2.32, 2.78 A)
 &rst
  ixpk= 932, nxpk= 20, iat=1801,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1805,1806,
 &end
#
#  32 VAL         MGY   23 LEU         HB-  4.00   (#   934:20  Preassigned   2.15, 3.62 A)
 &rst
  ixpk= 934, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 522, 523, 524, 526, 527, 528,
 igr2= 352, 353,
 &end
#
#   0 AMB    20-2:936    0 AMB    20-1:936  4.00   (#   936:20      Double   Ambig  )
 &rst
  ixpk= 936, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.63, r4= 8.38,
 igr1= 620, 621, 622, 624, 625, 626, 620, 621, 622, 624,
       625, 626,
 igr2= 666, 667, 666, 667,
 &end
#
#   0 AMB    20-2:937   43 LYS         HE-  5.50   (#   937:20      Single   Ambig  )
 &rst
  ixpk= 937, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 620, 621, 622, 624, 625, 626, 620, 621, 622, 624,
       625, 626,
 igr2= 666, 667,
 &end
#
#  43 LYS         HG-   43 LYS         HE-  4.00   (#   938:20  Preassigned   2.25, 3.20 A)
 &rst
  ixpk= 938, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 660, 661,
 igr2= 666, 667,
 &end
#
#  90 LEU         MDX   90 LEU         HB+  4.00   (#   939:20  Preassigned   2.31, 3.33 A)
 &rst
  ixpk= 939, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1419,1420,1421,1423,1424,1425,
 igr2=1414,1415,
 &end
#
#  90 LEU          HN   90 LEU         HB+  5.50   (#   940:20  Preassigned   2.13, 2.66 A)
 &rst
  ixpk= 940, nxpk= 20, iat=1410,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1414,1415,
 &end
#
#  90 LEU          HG   90 LEU         HB+  5.50   (#   941:20  Preassigned   2.31, 2.72 A)
 &rst
  ixpk= 941, nxpk= 20, iat=1417,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1414,1415,
 &end
#
#  90 LEU          HA   90 LEU         HB+  5.50   (#   944:20  Preassigned   2.46, 2.81 A)
 &rst
  ixpk= 944, nxpk= 20, iat=1412,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1414,1415,
 &end
#
#  23 LEU         MDY   23 LEU         HB+  4.00   (#   945:20  Preassigned   2.41, 3.34 A)
 &rst
  ixpk= 945, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 357, 358, 359, 361, 362, 363,
 igr2= 352, 353,
 &end
#
#  23 LEU          HN   23 LEU         HB+  5.50   (#   946:20  Preassigned   2.24, 2.94 A)
 &rst
  ixpk= 946, nxpk= 20, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 352, 353,
 &end
#
#   0 AMB    20-2:947    0 AMB    20-1:947  5.50   (#   947:20      Double   Ambig  )
 &rst
  ixpk= 947, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1=2077,2078,2079,2081,2082,2083, 522, 523, 524, 526,
       527, 528,
 igr2=2072,2073, 352, 353,
 &end
#
#  23 LEU          HA   23 LEU         HB+  5.50   (#   948:20  Preassigned   2.57, 2.82 A)
 &rst
  ixpk= 948, nxpk= 20, iat= 350,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 352, 353,
 &end
#
#  24 GLN          HN   23 LEU         HB-  5.50   (#   949:20  Preassigned   2.53, 3.11 A)
 &rst
  ixpk= 949, nxpk= 20, iat= 367,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 352, 353,
 &end
#
#  23 LEU          HA   23 LEU         HB-  5.50   (#   950:20  Preassigned   2.57, 2.82 A)
 &rst
  ixpk= 950, nxpk= 20, iat= 350,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 352, 353,
 &end
#
#   0 AMB    20-2:951   23 LEU         HB-  4.00   (#   951:20      Single   Ambig  )
 &rst
  ixpk= 951, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
 igr1= 522, 523, 524, 526, 527, 528, 357, 358, 359, 361,
       362, 363,
 igr2= 352, 353,
 &end
#
#  23 LEU          HN   23 LEU         HB-  5.50   (#   952:20  Preassigned   2.24, 2.94 A)
 &rst
  ixpk= 952, nxpk= 20, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 352, 353,
 &end
#
#  90 LEU          HA   90 LEU         HB-  4.00   (#   953:20  Preassigned   2.46, 2.81 A)
 &rst
  ixpk= 953, nxpk= 20, iat=1412,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1414,1415,
 &end
#
#  90 LEU          HN   90 LEU         HB-  5.50   (#   954:20  Preassigned   2.13, 2.66 A)
 &rst
  ixpk= 954, nxpk= 20, iat=1410,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1414,1415,
 &end
#
#  22 LEU         MDY  131 LEU         HB+  5.50   (#   957:20  Preassigned   2.81, 6.83 A)
 &rst
  ixpk= 957, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2=2072,2073,
 &end
#
#   0 AMB    20-2:959   43 LYS         HE-  2.80   (#   959:20      Single   Ambig  )
 &rst
  ixpk= 959, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 663, 664, 663, 664,
 igr2= 666, 667,
 &end
#
#  84 LYS         HG-   84 LYS         HE-  4.00   (#   960:20  Preassigned   2.38, 3.21 A)
 &rst
  ixpk= 960, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1296,1297,
 igr2=1302,1303,
 &end
#
#  90 LEU          HG   90 LEU         HB-  5.50   (#   964:20  Preassigned   2.31, 2.72 A)
 &rst
  ixpk= 964, nxpk= 20, iat=1417,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1414,1415,
 &end
#
# 131 LEU          HA  131 LEU         HB+  5.50   (#   965:20  Preassigned   2.28, 2.52 A)
 &rst
  ixpk= 965, nxpk= 20, iat=2070,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2072,2073,
 &end
#
#   0 AMB    20-2:966    0 AMB    20-1:966  5.50   (#   966:20      Double   Ambig  )
 &rst
  ixpk= 966, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 321, 322, 321, 322,
 igr2= 315, 316, 315, 316,
 &end
#
#  58 LEU         HB+   21 ARG         HD+  5.50   (#   967:20  Preassigned   3.61, 6.82 A)
 &rst
  ixpk= 967, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 861, 862,
 igr2= 315, 316,
 &end
#
# 112 GLU         HG+   84 LYS         HE-  5.50   (#   968:20  Preassigned   3.10, 6.29 A)
 &rst
  ixpk= 968, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1760,1761,
 igr2=1302,1303,
 &end
#
#   0 AMB    20-2:969   84 LYS         HE-  5.50   (#   969:20      Single   Ambig  )
 &rst
  ixpk= 969, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1296,1297,1296,1297,
 igr2=1302,1303,
 &end
#
#   0 AMB    20-2:974    0 AMB    20-1:974  5.50   (#   974:20      Double   Ambig  )
 &rst
  ixpk= 974, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1296,1297,1296,1297,
 igr2=1302,1303,1302,1303,
 &end
#
#   0 AMB    20-2:975    0 AMB    20-1:975  4.00   (#   975:20      Double   Ambig  )
 &rst
  ixpk= 975, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
 igr1=  50,  51,  50,  51,
 igr2=  45,  46,  45,  46,
 &end
#
#   3 ASN          HN    0 AMB    20-1:976  4.00   (#   976:20      Single   Ambig  )
 &rst
  ixpk= 976, nxpk= 20, iat=  41,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr2=  45,  46,  45,  46,
 &end
#
#   3 ASN        HD2-    0 AMB    20-1:977  5.50   (#   977:20      Single   Ambig  )
 &rst
  ixpk= 977, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=  50,  51,
 igr2=  45,  46,  45,  46,
 &end
#
#   3 ASN          HA    0 AMB    20-1:978  2.80   (#   978:20      Single   Ambig  )
 &rst
  ixpk= 978, nxpk= 20, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=  45,  46,  45,  46,
 &end
#
#  30 LEU         MDY    0 AMB    20-1:979  5.50   (#   979:20      Single   Ambig  )
 &rst
  ixpk= 979, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 484, 485, 486, 488, 489, 490,
 igr2=  45,  46,  45,  46,
 &end
#
#   0 AMB    20-2:980   60 LEU         HB-  5.50   (#   980:20      Single   Ambig  )
 &rst
  ixpk= 980, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
       901, 902,
 igr2= 891, 892,
 &end
#
#   0 AMB    20-2:981    0 AMB    20-1:981  4.00   (#   981:20      Double   Ambig  )
 &rst
  ixpk= 981, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
 igr1= 889,2251,
 igr2= 891, 892,2253,2254,
 &end
#
#  45 ALA          MB   60 LEU         HB-  5.50   (#   983:20  Preassigned   2.39, 4.21 A)
 &rst
  ixpk= 983, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 686, 687, 688,
 igr2= 891, 892,
 &end
#
# 142 LEU         MDY  142 LEU         HB-  7.00   (#   984:20  Preassigned   2.39, 3.32 A)
 &rst
  ixpk= 984, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=2258,2259,2260,2262,2263,2264,
 igr2=2253,2254,
 &end
#
# 142 LEU         MDY  142 LEU         HB+  5.50   (#   985:20  Preassigned   2.39, 3.32 A)
 &rst
  ixpk= 985, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2258,2259,2260,2262,2263,2264,
 igr2=2253,2254,
 &end
#
#  60 LEU         MDY   21 ARG         HD+  5.50   (#   986:20  Preassigned   2.20, 5.67 A)
 &rst
  ixpk= 986, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 896, 897, 898, 900, 901, 902,
 igr2= 315, 316,
 &end
#
#  21 ARG          HE   21 ARG         HD+  5.50   (#   987:20  Preassigned   2.27, 2.63 A)
 &rst
  ixpk= 987, nxpk= 20, iat= 318,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 315, 316,
 &end
#
#  21 ARG          HE   21 ARG         HD-  5.50   (#   990:20  Preassigned   2.27, 2.63 A)
 &rst
  ixpk= 990, nxpk= 20, iat= 318,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 315, 316,
 &end
#
#   0 AMB    20-2:998    0 AMB    20-1:998  5.50   (#   998:20      Double   Ambig  )
 &rst
  ixpk= 998, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
 igr1= 752, 753,2258,2259,2260,2262,2263,2264,
 igr2= 891, 892,2253,2254,
 &end
#
# 142 LEU          HN  142 LEU         HB-  5.50   (#   999:20  Preassigned   2.22, 2.98 A)
 &rst
  ixpk= 999, nxpk= 20, iat=2249,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2253,2254,
 &end
#
# 142 LEU          HA  142 LEU         HB+  5.50   (#   1000:20  Preassigned   2.51, 2.79 A)
 &rst
  ixpk= 1000, nxpk= 20, iat=2251,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2253,2254,
 &end
#
# 142 LEU         MDX  142 LEU         HB+  5.50   (#   1001:20  Preassigned   2.39, 3.32 A)
 &rst
  ixpk= 1001, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2258,2259,2260,2262,2263,2264,
 igr2=2253,2254,
 &end
#
# 142 LEU         MDY  142 LEU         HB+  5.50   (#   1002:20  Preassigned   2.39, 3.32 A)
 &rst
  ixpk= 1002, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2258,2259,2260,2262,2263,2264,
 igr2=2253,2254,
 &end
#
# 142 LEU          HN  142 LEU         HB+  5.50   (#   1003:20  Preassigned   2.22, 2.98 A)
 &rst
  ixpk= 1003, nxpk= 20, iat=2249,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2253,2254,
 &end
#
# 103 LEU          HN  103 LEU         HB-  5.50   (#   1009:20  Preassigned   2.31, 2.68 A)
 &rst
  ixpk= 1009, nxpk= 20, iat=1614,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1618,1619,
 &end
#
# 103 LEU         MDX  103 LEU         HB-  5.50   (#   1011:20  Preassigned   2.38, 3.33 A)
 &rst
  ixpk= 1011, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1623,1624,1625,1627,1628,1629,
 igr2=1618,1619,
 &end
#
# 103 LEU          HN  103 LEU         HB+  5.50   (#   1014:20  Preassigned   2.31, 2.68 A)
 &rst
  ixpk= 1014, nxpk= 20, iat=1614,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1618,1619,
 &end
#
#  76 TYR          HN   76 TYR         HB+  5.50   (#   1015:20  Preassigned   2.37, 3.11 A)
 &rst
  ixpk= 1015, nxpk= 20, iat=1153,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1157,1158,
 &end
#
#   5 ILE        HG1+    5 ILE          HB  5.50   (#   1017:20  Preassigned   2.36, 2.71 A)
 &rst
  ixpk= 1017, nxpk= 20, iat=  -1,  73, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  79,  80,
 &end
#
#   5 ILE          HN    5 ILE          HB  5.50   (#   1018:20  Preassigned   2.28, 2.42 A)
 &rst
  ixpk= 1018, nxpk= 20, iat=  69,  73, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   5 ILE          HA    5 ILE          HB  5.50   (#   1019:20  Preassigned   3.02, 3.04 A)
 &rst
  ixpk= 1019, nxpk= 20, iat=  71,  73, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   5 ILE        HG1-    5 ILE          HB  5.50   (#   1020:20  Preassigned   2.36, 2.71 A)
 &rst
  ixpk= 1020, nxpk= 20, iat=  -1,  73, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  79,  80,
 &end
#
#  32 VAL         MGX    5 ILE          HB  5.50   (#   1021:20  Preassigned   2.13, 3.72 A)
 &rst
  ixpk= 1021, nxpk= 20, iat=  -1,  73, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 522, 523, 524, 526, 527, 528,
 &end
#
#   5 ILE         QG2    5 ILE          HB  4.00   (#   1022:20  Preassigned   2.43, 2.69 A)
 &rst
  ixpk= 1022, nxpk= 20, iat=  -1,  73, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=  75,  76,  77,
 &end
#
#  32 VAL          HA    5 ILE          HB  5.50   (#   1023:20  Preassigned   2.11, 2.36 A)
 &rst
  ixpk= 1023, nxpk= 20, iat= 518,  73, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   5 ILE         QD1    5 ILE          HB  5.50   (#   1024:20  Preassigned   2.54, 3.37 A)
 &rst
  ixpk= 1024, nxpk= 20, iat=  -1,  73, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  82,  83,  84,
 &end
#
# 103 LEU         MDY  103 LEU         HB-  4.00   (#   1025:20  Preassigned   2.38, 3.33 A)
 &rst
  ixpk= 1025, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1623,1624,1625,1627,1628,1629,
 igr2=1618,1619,
 &end
#
#  77 ASP          HN   76 TYR         HB-  5.50   (#   1027:20  Preassigned   2.14, 3.03 A)
 &rst
  ixpk= 1027, nxpk= 20, iat=1174,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1157,1158,
 &end
#
#  76 TYR          HD   76 TYR         HB-  5.50   (#   1029:20  Preassigned   2.40, 3.08 A)
 &rst
  ixpk= 1029, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1161,1170,
 igr2=1157,1158,
 &end
#
#  76 TYR          HA   76 TYR         HB-  5.50   (#   1030:20  Preassigned   2.39, 2.74 A)
 &rst
  ixpk= 1030, nxpk= 20, iat=1155,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1157,1158,
 &end
#
#  76 TYR          HN   76 TYR         HB-  5.50   (#   1031:20  Preassigned   2.37, 3.11 A)
 &rst
  ixpk= 1031, nxpk= 20, iat=1153,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1157,1158,
 &end
#
#   4 ASN        HD2+    4 ASN         HB+  7.00   (#   1032:20  Preassigned   2.31, 3.26 A)
 &rst
  ixpk= 1032, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=  64,  65,
 igr2=  59,  60,
 &end
#
#  76 TYR          HN   76 TYR         HB+  5.50   (#   1033:20  Preassigned   2.37, 3.11 A)
 &rst
  ixpk= 1033, nxpk= 20, iat=1153,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1157,1158,
 &end
#
#  77 ASP          HN   76 TYR         HB+  6.00   (#   1034:20  Preassigned   2.14, 3.03 A)
 &rst
  ixpk= 1034, nxpk= 20, iat=1174,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1157,1158,
 &end
#
#  76 TYR          HD   76 TYR         HB+  4.00   (#   1035:20  Preassigned   2.40, 3.08 A)
 &rst
  ixpk= 1035, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1161,1170,
 igr2=1157,1158,
 &end
#
#  76 TYR          HA   76 TYR         HB+  5.50   (#   1036:20  Preassigned   2.39, 2.74 A)
 &rst
  ixpk= 1036, nxpk= 20, iat=1155,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1157,1158,
 &end
#
#  32 VAL         MGY    5 ILE          HB  5.50   (#   1037:20  Preassigned   2.13, 3.72 A)
 &rst
  ixpk= 1037, nxpk= 20, iat=  -1,  73, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 522, 523, 524, 526, 527, 528,
 &end
#
#   5 ILE         QD1    5 ILE          HB  5.50   (#   1038:20  Preassigned   2.54, 3.37 A)
 &rst
  ixpk= 1038, nxpk= 20, iat=  -1,  73, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  82,  83,  84,
 &end
#
#  32 VAL         MGY    5 ILE          HB  5.50   (#   1039:20  Preassigned   2.13, 3.72 A)
 &rst
  ixpk= 1039, nxpk= 20, iat=  -1,  73, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 522, 523, 524, 526, 527, 528,
 &end
#
#   4 ASN          HA    4 ASN         HB-  5.50   (#   1042:20  Preassigned   2.41, 2.67 A)
 &rst
  ixpk= 1042, nxpk= 20, iat=  57,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  59,  60,
 &end
#
#  77 ASP          HN    4 ASN         HB-  5.50   (#   1043:20  Preassigned   2.33, 3.79 A)
 &rst
  ixpk= 1043, nxpk= 20, iat=1174,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  59,  60,
 &end
#
#   4 ASN          HN    4 ASN         HB-  5.50   (#   1045:20  Preassigned   2.60, 3.41 A)
 &rst
  ixpk= 1045, nxpk= 20, iat=  55,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  59,  60,
 &end
#
#   4 ASN        HD2-    4 ASN         HB-  5.50   (#   1046:20  Preassigned   2.31, 3.26 A)
 &rst
  ixpk= 1046, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  64,  65,
 igr2=  59,  60,
 &end
#
#  76 TYR          HA    4 ASN         HB-  6.00   (#   1047:20  Preassigned   2.09, 3.15 A)
 &rst
  ixpk= 1047, nxpk= 20, iat=1155,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=  59,  60,
 &end
#
#   4 ASN        HD2+    4 ASN         HB-  5.50   (#   1048:20  Preassigned   2.31, 3.26 A)
 &rst
  ixpk= 1048, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  64,  65,
 igr2=  59,  60,
 &end
#
#  77 ASP          HN    4 ASN         HB+  5.50   (#   1050:20  Preassigned   2.33, 3.79 A)
 &rst
  ixpk= 1050, nxpk= 20, iat=1174,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  59,  60,
 &end
#
#   4 ASN        HD2-    4 ASN         HB+  5.50   (#   1051:20  Preassigned   2.31, 3.26 A)
 &rst
  ixpk= 1051, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  64,  65,
 igr2=  59,  60,
 &end
#
#   4 ASN        HD2+    4 ASN         HB+  5.50   (#   1052:20  Preassigned   2.31, 3.26 A)
 &rst
  ixpk= 1052, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  64,  65,
 igr2=  59,  60,
 &end
#
#   4 ASN          HA    4 ASN         HB+  4.00   (#   1054:20  Preassigned   2.41, 2.67 A)
 &rst
  ixpk= 1054, nxpk= 20, iat=  57,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=  59,  60,
 &end
#
#  76 TYR          HA    4 ASN         HB+  5.50   (#   1055:20  Preassigned   2.09, 3.15 A)
 &rst
  ixpk= 1055, nxpk= 20, iat=1155,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  59,  60,
 &end
#
# 108 ASP          HA  108 ASP         HB+  5.50   (#   1058:20  Preassigned   2.43, 2.78 A)
 &rst
  ixpk= 1058, nxpk= 20, iat=1703,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1705,1706,
 &end
#
# 108 ASP          HN  108 ASP         HB+  5.50   (#   1061:20  Preassigned   2.46, 2.90 A)
 &rst
  ixpk= 1061, nxpk= 20, iat=1701,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1705,1706,
 &end
#
# 108 ASP          HN  108 ASP         HB-  5.50   (#   1062:20  Preassigned   2.46, 2.90 A)
 &rst
  ixpk= 1062, nxpk= 20, iat=1701,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1705,1706,
 &end
#
# 108 ASP          HA  108 ASP         HB-  4.00   (#   1064:20  Preassigned   2.43, 2.78 A)
 &rst
  ixpk= 1064, nxpk= 20, iat=1703,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1705,1706,
 &end
#
#  52 VAL         MGY  124 PHE         HB+  5.50   (#   1065:20  Preassigned   2.21, 3.92 A)
 &rst
  ixpk= 1065, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 778, 779, 780, 782, 783, 784,
 igr2=1962,1963,
 &end
#
#  48 THR         MG2  124 PHE         HB+  5.50   (#   1067:20  Preassigned   2.51, 4.28 A)
 &rst
  ixpk= 1067, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 724, 725, 726,
 igr2=1962,1963,
 &end
#
# 124 PHE          HD  124 PHE         HB+  5.50   (#   1068:20  Preassigned   2.30, 3.09 A)
 &rst
  ixpk= 1068, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1966,1974,
 igr2=1962,1963,
 &end
#
# 124 PHE          HN  124 PHE         HB+  5.50   (#   1069:20  Preassigned   2.07, 2.81 A)
 &rst
  ixpk= 1069, nxpk= 20, iat=1958,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1962,1963,
 &end
#
# 124 PHE          HD  124 PHE         HB-  4.00   (#   1071:20  Preassigned   2.30, 3.09 A)
 &rst
  ixpk= 1071, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1966,1974,
 igr2=1962,1963,
 &end
#
#  26 TYR          HN   26 TYR         HB+  5.50   (#   1073:20  Preassigned   2.41, 3.06 A)
 &rst
  ixpk= 1073, nxpk= 20, iat= 408,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 412, 413,
 &end
#
# 111 CYS         HB-  108 ASP         HB-  5.50   (#   1074:20  Preassigned   2.53, 4.83 A)
 &rst
  ixpk= 1074, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1746,1747,
 igr2=1705,1706,
 &end
#
# 112 GLU          HN  112 GLU         HG+  5.50   (#   1075:20  Preassigned   2.01, 3.13 A)
 &rst
  ixpk= 1075, nxpk= 20, iat=1753,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1760,1761,
 &end
#
#  26 TYR          HN   26 TYR         HB-  5.50   (#   1076:20  Preassigned   2.41, 3.06 A)
 &rst
  ixpk= 1076, nxpk= 20, iat= 408,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 412, 413,
 &end
#
#  26 TYR          HD   26 TYR         HB-  5.50   (#   1077:20  Preassigned   2.35, 3.11 A)
 &rst
  ixpk= 1077, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 416, 425,
 igr2= 412, 413,
 &end
#
# 139 ALA          MB   26 TYR         HB-  5.50   (#   1079:20  Preassigned   2.39, 3.06 A)
 &rst
  ixpk= 1079, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2216,2217,2218,
 igr2= 412, 413,
 &end
#
#  26 TYR          HA   26 TYR         HB-  4.00   (#   1080:20  Preassigned   2.42, 2.75 A)
 &rst
  ixpk= 1080, nxpk= 20, iat= 410,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 412, 413,
 &end
#
#   2 PHE          HA    2 PHE         HB-  5.50   (#   1081:20  Preassigned   2.31, 2.69 A)
 &rst
  ixpk= 1081, nxpk= 20, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  25,  26,
 &end
#
#   2 PHE          HD    2 PHE         HB-  5.50   (#   1082:20  Preassigned   2.32, 3.09 A)
 &rst
  ixpk= 1082, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  29,  37,
 igr2=  25,  26,
 &end
#
#   5 ILE         QD1    2 PHE         HB-  5.50   (#   1083:20  Preassigned   2.43, 4.06 A)
 &rst
  ixpk= 1083, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  82,  83,  84,
 igr2=  25,  26,
 &end
#
#   2 PHE          HN    2 PHE         HB-  5.50   (#   1084:20  Preassigned   2.50, 3.15 A)
 &rst
  ixpk= 1084, nxpk= 20, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  25,  26,
 &end
#
# 142 LEU         MDY    2 PHE         HB-  5.50   (#   1085:20  Preassigned   2.74, 5.74 A)
 &rst
  ixpk= 1085, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2258,2259,2260,2262,2263,2264,
 igr2=  25,  26,
 &end
#
#  52 VAL         MGY  124 PHE         HB-  5.50   (#   1086:20  Preassigned   2.21, 3.92 A)
 &rst
  ixpk= 1086, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 778, 779, 780, 782, 783, 784,
 igr2=1962,1963,
 &end
#
#  48 THR         MG2  124 PHE         HB-  5.50   (#   1087:20  Preassigned   2.51, 4.28 A)
 &rst
  ixpk= 1087, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 724, 725, 726,
 igr2=1962,1963,
 &end
#
#   2 PHE          HA    2 PHE         HB+  5.50   (#   1088:20  Preassigned   2.31, 2.69 A)
 &rst
  ixpk= 1088, nxpk= 20, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  25,  26,
 &end
#
#   5 ILE         QD1    2 PHE         HB+  5.50   (#   1089:20  Preassigned   2.43, 4.06 A)
 &rst
  ixpk= 1089, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  82,  83,  84,
 igr2=  25,  26,
 &end
#
# 142 LEU         MDY    2 PHE         HB+  5.50   (#   1090:20  Preassigned   2.74, 5.74 A)
 &rst
  ixpk= 1090, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2258,2259,2260,2262,2263,2264,
 igr2=  25,  26,
 &end
#
#   2 PHE          HD    2 PHE         HB+  5.50   (#   1091:20  Preassigned   2.32, 3.09 A)
 &rst
  ixpk= 1091, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  29,  37,
 igr2=  25,  26,
 &end
#
#  26 TYR          HD   26 TYR         HB+  5.50   (#   1092:20  Preassigned   2.35, 3.11 A)
 &rst
  ixpk= 1092, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 416, 425,
 igr2= 412, 413,
 &end
#
#  26 TYR          HA   26 TYR         HB+  5.50   (#   1093:20  Preassigned   2.42, 2.75 A)
 &rst
  ixpk= 1093, nxpk= 20, iat= 410,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 412, 413,
 &end
#
# 112 GLU          HA  112 GLU         HG+  5.50   (#   1094:20  Preassigned   2.55, 3.63 A)
 &rst
  ixpk= 1094, nxpk= 20, iat=1755,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1760,1761,
 &end
#
# 112 GLU         HB+  112 GLU         HG+  4.00   (#   1096:20      Unique   2.25, 2.72 A)
 &rst
  ixpk= 1096, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1757,1758,
 igr2=1760,1761,
 &end
#
# 112 GLU          HA  112 GLU         HG-  5.50   (#   1097:20  Preassigned   2.55, 3.63 A)
 &rst
  ixpk= 1097, nxpk= 20, iat=1755,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1760,1761,
 &end
#
#   0 AMB   20-2:1099   68 ILE          HB  5.50   (#   1099:20      Single   Ambig  )
 &rst
  ixpk= 1099, nxpk= 20, iat=  -1,1011, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1026,1002,1003,
 &end
#
#   8 VAL         MGX   68 ILE          HB  5.50   (#   1100:20  Preassigned   2.31, 3.78 A)
 &rst
  ixpk= 1100, nxpk= 20, iat=  -1,1011, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 129, 130, 131, 133, 134, 135,
 &end
#
#  68 ILE          HN   68 ILE          HB  4.00   (#   1101:20  Preassigned   2.35, 2.49 A)
 &rst
  ixpk= 1101, nxpk= 20, iat=1007,1011, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  68 ILE        HG1+   68 ILE          HB  5.50   (#   1102:20  Preassigned   2.43, 2.76 A)
 &rst
  ixpk= 1102, nxpk= 20, iat=  -1,1011, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1017,1018,
 &end
#
#   0 AMB   20-2:1103  112 GLU         HG-  7.00   (#   1103:20      Single   Ambig  )
 &rst
  ixpk= 1103, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1=1296,1297,1296,1297,
 igr2=1760,1761,
 &end
#
# 103 LEU         MDX  112 GLU         HG-  7.00   (#   1104:20  Preassigned   2.86, 6.32 A)
 &rst
  ixpk= 1104, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1623,1624,1625,1627,1628,1629,
 igr2=1760,1761,
 &end
#
# 113 ILE          HN  112 GLU         HG-  5.50   (#   1105:20  Preassigned   2.90, 4.50 A)
 &rst
  ixpk= 1105, nxpk= 20, iat=1768,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1760,1761,
 &end
#
# 112 GLU         HB+  112 GLU         HG-  5.50   (#   1106:20      Unique   2.25, 2.72 A)
 &rst
  ixpk= 1106, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1757,1758,
 igr2=1760,1761,
 &end
#
#  79 ILE        HG1-   79 ILE          HB  4.00   (#   1107:20  Preassigned   2.26, 2.57 A)
 &rst
  ixpk= 1107, nxpk= 20, iat=  -1,1209, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1215,1216,
 &end
#
#  79 ILE         QG2   79 ILE          HB  4.00   (#   1108:20  Preassigned   2.38, 2.65 A)
 &rst
  ixpk= 1108, nxpk= 20, iat=  -1,1209, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=1211,1212,1213,
 &end
#
#  79 ILE          HN   79 ILE          HB  5.50   (#   1109:20  Preassigned   2.37, 2.65 A)
 &rst
  ixpk= 1109, nxpk= 20, iat=1205,1209, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 101 VAL          HA   79 ILE          HB  5.50   (#   1111:20  Preassigned   2.09, 2.32 A)
 &rst
  ixpk= 1111, nxpk= 20, iat=1583,1209, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  68 ILE          HA   68 ILE          HB  4.00   (#   1112:20  Preassigned   2.42, 2.47 A)
 &rst
  ixpk= 1112, nxpk= 20, iat=1009,1011, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  35 ALA          MB   68 ILE          HB  5.50   (#   1113:20  Preassigned   2.47, 3.63 A)
 &rst
  ixpk= 1113, nxpk= 20, iat=  -1,1011, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 562, 563, 564,
 &end
#
#  68 ILE         QD1   68 ILE          HB  2.80   (#   1114:20  Preassigned   2.38, 3.11 A)
 &rst
  ixpk= 1114, nxpk= 20, iat=  -1,1011, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1020,1021,1022,
 &end
#
# 104 PHE          HD  104 PHE         HB-  7.00   (#   1115:20  Preassigned   2.32, 3.08 A)
 &rst
  ixpk= 1115, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1641,1649,
 igr2=1637,1638,
 &end
#
# 104 PHE          HN  104 PHE         HB-  5.50   (#   1116:20  Preassigned   2.07, 2.80 A)
 &rst
  ixpk= 1116, nxpk= 20, iat=1633,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1637,1638,
 &end
#
# 143 ASN        HD2-  143 ASN         HB+  5.50   (#   1119:20  Preassigned   2.19, 3.25 A)
 &rst
  ixpk= 1119, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2277,2278,
 igr2=2272,2273,
 &end
#
#  52 VAL         MGX  128 TYR         HB+  5.50   (#   1120:20  Preassigned   2.38, 4.86 A)
 &rst
  ixpk= 1120, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 778, 779, 780, 782, 783, 784,
 igr2=2018,2019,
 &end
#
# 128 TYR          HN  128 TYR         HB+  5.50   (#   1121:20  Preassigned   2.29, 2.51 A)
 &rst
  ixpk= 1121, nxpk= 20, iat=2014,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2018,2019,
 &end
#
# 129 THR          HN  128 TYR         HB+  5.50   (#   1123:20  Preassigned   2.46, 3.22 A)
 &rst
  ixpk= 1123, nxpk= 20, iat=2035,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2018,2019,
 &end
#
# 143 ASN          HN  143 ASN         HB+  4.00   (#   1124:20  Preassigned   2.28, 2.52 A)
 &rst
  ixpk= 1124, nxpk= 20, iat=2268,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=2272,2273,
 &end
#
# 140 GLN          HA  143 ASN         HB+  5.50   (#   1125:20  Preassigned   2.08, 2.67 A)
 &rst
  ixpk= 1125, nxpk= 20, iat=2224,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2272,2273,
 &end
#
# 144 ALA          HN  143 ASN         HB+  5.50   (#   1126:20  Preassigned   2.31, 3.47 A)
 &rst
  ixpk= 1126, nxpk= 20, iat=2282,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2272,2273,
 &end
#
# 128 TYR          HD  128 TYR         HB-  5.50   (#   1127:20  Preassigned   2.31, 3.09 A)
 &rst
  ixpk= 1127, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2022,2031,
 igr2=2018,2019,
 &end
#
# 128 TYR          HA  128 TYR         HB-  5.50   (#   1128:20  Preassigned   2.38, 2.75 A)
 &rst
  ixpk= 1128, nxpk= 20, iat=2016,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2018,2019,
 &end
#
# 143 ASN          HN  143 ASN         HB-  2.80   (#   1130:20  Preassigned   2.28, 2.52 A)
 &rst
  ixpk= 1130, nxpk= 20, iat=2268,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2272,2273,
 &end
#
# 140 GLN          HA  143 ASN         HB-  6.00   (#   1131:20  Preassigned   2.08, 2.67 A)
 &rst
  ixpk= 1131, nxpk= 20, iat=2224,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=2272,2273,
 &end
#
# 144 ALA          HN  143 ASN         HB-  5.50   (#   1132:20  Preassigned   2.31, 3.47 A)
 &rst
  ixpk= 1132, nxpk= 20, iat=2282,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2272,2273,
 &end
#
# 143 ASN        HD2-  143 ASN         HB-  5.50   (#   1133:20  Preassigned   2.19, 3.25 A)
 &rst
  ixpk= 1133, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2277,2278,
 igr2=2272,2273,
 &end
#
#  72 LEU         MDY   75 ASN         HB-  5.50   (#   1134:20  Preassigned   3.31, 6.02 A)
 &rst
  ixpk= 1134, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1094,1095,1096,1098,1099,1100,
 igr2=1143,1144,
 &end
#
#   0 AMB   20-2:1135   75 ASN         HB-  5.50   (#   1135:20      Single   Ambig  )
 &rst
  ixpk= 1135, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1148,1149,1161,1170,
 igr2=1143,1144,
 &end
#
#  75 ASN          HN    0 AMB   20-1:1136  4.00   (#   1136:20      Single   Ambig  )
 &rst
  ixpk= 1136, nxpk= 20, iat=1139,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr2=1143,1144,1143,1144,
 &end
#
# 117 TYR          HN  117 TYR         HB+  5.50   (#   1138:20  Preassigned   2.21, 2.58 A)
 &rst
  ixpk= 1138, nxpk= 20, iat=1827,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1831,1832,
 &end
#
# 117 TYR          HD  117 TYR         HB+  5.50   (#   1140:20  Preassigned   2.27, 3.08 A)
 &rst
  ixpk= 1140, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1835,1844,
 igr2=1831,1832,
 &end
#
# 128 TYR          HD  128 TYR         HB+  5.50   (#   1141:20  Preassigned   2.31, 3.09 A)
 &rst
  ixpk= 1141, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2022,2031,
 igr2=2018,2019,
 &end
#
# 128 TYR          HN  128 TYR         HB+  5.50   (#   1142:20  Preassigned   2.29, 2.51 A)
 &rst
  ixpk= 1142, nxpk= 20, iat=2014,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2018,2019,
 &end
#
# 128 TYR          HA  128 TYR         HB+  5.50   (#   1143:20  Preassigned   2.38, 2.75 A)
 &rst
  ixpk= 1143, nxpk= 20, iat=2016,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2018,2019,
 &end
#
# 128 TYR          HN  128 TYR         HB-  5.50   (#   1144:20  Preassigned   2.29, 2.51 A)
 &rst
  ixpk= 1144, nxpk= 20, iat=2014,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2018,2019,
 &end
#
#  52 VAL         MGX  128 TYR         HB-  5.50   (#   1145:20  Preassigned   2.38, 4.86 A)
 &rst
  ixpk= 1145, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 778, 779, 780, 782, 783, 784,
 igr2=2018,2019,
 &end
#
#  75 ASN          HA    0 AMB   20-1:1146  4.00   (#   1146:20      Single   Ambig  )
 &rst
  ixpk= 1146, nxpk= 20, iat=1141,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr2=1143,1144,1143,1144,
 &end
#
# 102 MET          HA  102 MET         HB+  5.50   (#   1147:20  Preassigned   2.24, 2.71 A)
 &rst
  ixpk= 1147, nxpk= 20, iat=1599,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1601,1602,
 &end
#
# 102 MET          ME  102 MET         HB+  5.50   (#   1148:20  Preassigned   2.27, 3.77 A)
 &rst
  ixpk= 1148, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1608,1609,1610,
 igr2=1601,1602,
 &end
#
# 103 LEU          HN  102 MET         HB+  5.50   (#   1149:20  Preassigned   2.04, 3.11 A)
 &rst
  ixpk= 1149, nxpk= 20, iat=1614,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1601,1602,
 &end
#
#  50 ILE         QG2   50 ILE          HB  4.00   (#   1151:20  Preassigned   2.46, 2.67 A)
 &rst
  ixpk= 1151, nxpk= 20, iat=  -1, 746, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 748, 749, 750,
 &end
#
#  51 SER          HN   50 ILE          HB  5.50   (#   1152:20  Preassigned   2.61, 2.72 A)
 &rst
  ixpk= 1152, nxpk= 20, iat= 761, 746, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  50 ILE          HN   50 ILE          HB  4.00   (#   1153:20  Preassigned   2.30, 2.51 A)
 &rst
  ixpk= 1153, nxpk= 20, iat= 742, 746, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  50 ILE         QD1   50 ILE          HB  2.80   (#   1154:20  Preassigned   2.50, 3.15 A)
 &rst
  ixpk= 1154, nxpk= 20, iat=  -1, 746, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 755, 756, 757,
 &end
#
#  47 PRO          HA   50 ILE          HB  4.00   (#   1155:20  Preassigned   2.15, 2.37 A)
 &rst
  ixpk= 1155, nxpk= 20, iat= 714, 746, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB   20-2:1156   40 LEU         HB-  5.50   (#   1156:20      Single   Ambig  )
 &rst
  ixpk= 1156, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 620, 621, 622, 624, 625, 626, 620, 621, 622, 624,
       625, 626,
 igr2= 615, 616,
 &end
#
#  40 LEU          HG   40 LEU         HB-  5.50   (#   1157:20  Preassigned   2.45, 2.77 A)
 &rst
  ixpk= 1157, nxpk= 20, iat= 618,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 615, 616,
 &end
#
#  40 LEU          HN   40 LEU         HB-  5.50   (#   1158:20  Preassigned   2.33, 3.05 A)
 &rst
  ixpk= 1158, nxpk= 20, iat= 611,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 615, 616,
 &end
#
#  40 LEU          HA   40 LEU         HB-  4.00   (#   1160:20  Preassigned   2.42, 2.78 A)
 &rst
  ixpk= 1160, nxpk= 20, iat= 613,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 615, 616,
 &end
#
# 102 MET         HG-  102 MET         HB+  5.50   (#   1161:20  Preassigned   2.32, 2.73 A)
 &rst
  ixpk= 1161, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1604,1605,
 igr2=1601,1602,
 &end
#
#  80 LEU         MDY  102 MET         HB+  5.50   (#   1162:20  Preassigned   2.23, 5.02 A)
 &rst
  ixpk= 1162, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1233,1234,1235,1237,1238,1239,
 igr2=1601,1602,
 &end
#
#  50 ILE        HG1+   50 ILE          HB  5.50   (#   1163:20  Preassigned   2.50, 2.80 A)
 &rst
  ixpk= 1163, nxpk= 20, iat=  -1, 746, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 752, 753,
 &end
#
#  40 LEU          HA   40 LEU         HB-  5.50   (#   1164:20  Preassigned   2.42, 2.78 A)
 &rst
  ixpk= 1164, nxpk= 20, iat= 613,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 615, 616,
 &end
#
#  88 GLU          HN   87 ILE          HB  5.50   (#   1165:20  Preassigned   2.46, 2.64 A)
 &rst
  ixpk= 1165, nxpk= 20, iat=1371,1356, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  87 ILE        HG1-   87 ILE          HB  5.50   (#   1166:20  Preassigned   2.37, 2.46 A)
 &rst
  ixpk= 1166, nxpk= 20, iat=  -1,1356, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1362,1363,
 &end
#
#   0 AMB   20-2:1167    0 AMB   20-1:1167  5.50   (#   1167:20      Double   Ambig  )
 &rst
  ixpk= 1167, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 547,1929,
 igr2= 539, 540,1936,1937,
 &end
#
#  33 GLU         HB-   33 GLU         HG+  5.50   (#   1169:20  Preassigned   2.27, 2.69 A)
 &rst
  ixpk= 1169, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 536, 537,
 igr2= 539, 540,
 &end
#
#  87 ILE          HN   87 ILE          HB  4.00   (#   1171:20  Preassigned   2.56, 2.64 A)
 &rst
  ixpk= 1171, nxpk= 20, iat=1352,1356, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  87 ILE          HA   87 ILE          HB  5.50   (#   1173:20  Preassigned   2.11, 3.00 A)
 &rst
  ixpk= 1173, nxpk= 20, iat=1354,1356, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 109 ASN        HD2-  109 ASN         HB-  5.50   (#   1174:20  Preassigned   2.23, 3.34 A)
 &rst
  ixpk= 1174, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1722,1723,
 igr2=1717,1718,
 &end
#
# 109 ASN        HD2+  109 ASN         HB-  5.50   (#   1176:20  Preassigned   2.23, 3.34 A)
 &rst
  ixpk= 1176, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1722,1723,
 igr2=1717,1718,
 &end
#
# 109 ASN          HA  109 ASN         HB-  4.00   (#   1177:20  Preassigned   2.43, 2.76 A)
 &rst
  ixpk= 1177, nxpk= 20, iat=1715,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1717,1718,
 &end
#
# 109 ASN        HD2-  109 ASN         HB+  5.50   (#   1178:20  Preassigned   2.23, 3.34 A)
 &rst
  ixpk= 1178, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1722,1723,
 igr2=1717,1718,
 &end
#
# 109 ASN          HN  109 ASN         HB+  5.50   (#   1179:20  Preassigned   2.85, 3.35 A)
 &rst
  ixpk= 1179, nxpk= 20, iat=1713,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1717,1718,
 &end
#
# 109 ASN          HA  109 ASN         HB+  4.00   (#   1180:20  Preassigned   2.43, 2.76 A)
 &rst
  ixpk= 1180, nxpk= 20, iat=1715,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1717,1718,
 &end
#
# 109 ASN        HD2+  109 ASN         HB+  4.00   (#   1181:20  Preassigned   2.23, 3.34 A)
 &rst
  ixpk= 1181, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1722,1723,
 igr2=1717,1718,
 &end
#
# 122 GLU          HN  122 GLU         HG+  5.50   (#   1183:20  Preassigned   2.11, 3.79 A)
 &rst
  ixpk= 1183, nxpk= 20, iat=1929,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1936,1937,
 &end
#
# 126 ALA          MB  122 GLU         HG+  5.50   (#   1185:20  Preassigned   3.76, 6.57 A)
 &rst
  ixpk= 1185, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1992,1993,1994,
 igr2=1936,1937,
 &end
#
# 122 GLU         HB-  122 GLU         HG+  2.80   (#   1186:20  Preassigned   2.26, 2.68 A)
 &rst
  ixpk= 1186, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1933,1934,
 igr2=1936,1937,
 &end
#
# 122 GLU         HB+  122 GLU         HG+  2.80   (#   1187:20  Preassigned   2.26, 2.68 A)
 &rst
  ixpk= 1187, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1933,1934,
 igr2=1936,1937,
 &end
#
# 122 GLU          HA  122 GLU         HG+  5.50   (#   1188:20  Preassigned   2.39, 3.28 A)
 &rst
  ixpk= 1188, nxpk= 20, iat=1931,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1936,1937,
 &end
#
#  34 SER          HN   33 GLU         HG-  5.50   (#   1190:20  Preassigned   1.91, 3.55 A)
 &rst
  ixpk= 1190, nxpk= 20, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 539, 540,
 &end
#
# 109 ASN          HN  109 ASN         HB-  5.50   (#   1191:20  Preassigned   2.85, 3.35 A)
 &rst
  ixpk= 1191, nxpk= 20, iat=1713,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1717,1718,
 &end
#
#  22 LEU         MDY  132 GLU         HG+  5.50   (#   1192:20  Preassigned   2.19, 4.11 A)
 &rst
  ixpk= 1192, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2=2094,2095,
 &end
#
# 145 GLU          HA  145 GLU         HG+  4.00   (#   1193:20  Preassigned   2.36, 3.18 A)
 &rst
  ixpk= 1193, nxpk= 20, iat=2294,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=2299,2300,
 &end
#
# 145 GLU          HN  145 GLU         HG-  4.00   (#   1196:20  Preassigned   2.18, 4.16 A)
 &rst
  ixpk= 1196, nxpk= 20, iat=2292,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=2299,2300,
 &end
#
# 145 GLU          HA  145 GLU         HG-  4.00   (#   1197:20  Preassigned   2.36, 3.18 A)
 &rst
  ixpk= 1197, nxpk= 20, iat=2294,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=2299,2300,
 &end
#
#  92 GLU          HN   92 GLU         HG-  5.50   (#   1198:20  Preassigned   2.43, 4.16 A)
 &rst
  ixpk= 1198, nxpk= 20, iat=1440,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1447,1448,
 &end
#
#  92 GLU          HA   92 GLU         HG-  5.50   (#   1199:20  Preassigned   2.41, 3.15 A)
 &rst
  ixpk= 1199, nxpk= 20, iat=1442,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1447,1448,
 &end
#
#  55 GLU         HB-   55 GLU         HG-  2.80   (#   1200:20  Preassigned   2.34, 2.67 A)
 &rst
  ixpk= 1200, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 812, 813,
 igr2= 815, 816,
 &end
#
#  55 GLU          HA   55 GLU         HG-  4.00   (#   1201:20  Preassigned   2.46, 3.12 A)
 &rst
  ixpk= 1201, nxpk= 20, iat= 810,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 815, 816,
 &end
#
#  55 GLU          HN   55 GLU         HG-  4.00   (#   1203:20  Preassigned   2.53, 4.10 A)
 &rst
  ixpk= 1203, nxpk= 20, iat= 808,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 815, 816,
 &end
#
#  81 THR          HA    8 VAL          HB  5.50   (#   1204:20  Preassigned   3.96, 4.35 A)
 &rst
  ixpk= 1204, nxpk= 20, iat=1245, 127, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   8 VAL         MGY    8 VAL          HB  4.00   (#   1205:20  Preassigned   2.40, 2.66 A)
 &rst
  ixpk= 1205, nxpk= 20, iat=  -1, 127, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 129, 130, 131, 133, 134, 135,
 &end
#
#  81 THR         MG2    8 VAL          HB  5.50   (#   1207:20  Preassigned   2.49, 5.11 A)
 &rst
  ixpk= 1207, nxpk= 20, iat=  -1, 127, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1249,1250,1251,
 &end
#
#  81 THR          HB    8 VAL          HB  5.50   (#   1208:20  Preassigned   2.72, 3.64 A)
 &rst
  ixpk= 1208, nxpk= 20, iat=1247, 127, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  61 GLU          HN    0 AMB   20-1:1210  4.00   (#   1210:20      Single   Ambig  )
 &rst
  ixpk= 1210, nxpk= 20, iat= 906,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr2= 913, 914, 913, 914,
 &end
#
#  61 GLU          HA    0 AMB   20-1:1211  4.00   (#   1211:20      Single   Ambig  )
 &rst
  ixpk= 1211, nxpk= 20, iat= 908,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr2= 913, 914, 913, 914,
 &end
#
#   0 AMB   20-2:1212    0 AMB   20-1:1212  5.50   (#   1212:20      Double   Ambig  )
 &rst
  ixpk= 1212, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=2330,2331,2332,2334,2335,2336, 748, 749, 750,
 igr2=2299,2300, 913, 914,
 &end
#
#   0 AMB   20-2:1217    0 AMB   20-1:1217  5.50   (#   1217:20      Double   Ambig  )
 &rst
  ixpk= 1217, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1313,2284,
 igr2=1378,1379,2299,2300,
 &end
#
# 145 GLU         HB-  145 GLU         HG-  2.80   (#   1218:20  Preassigned   2.28, 2.70 A)
 &rst
  ixpk= 1218, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2296,2297,
 igr2=2299,2300,
 &end
#
#  89 ARG          HA    0 AMB   20-1:1221  5.50   (#   1221:20      Single   Ambig  )
 &rst
  ixpk= 1221, nxpk= 20, iat=1388,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1378,1379,1447,1448,
 &end
#
#   8 VAL          HN    8 VAL          HB  5.50   (#   1222:20  Preassigned   2.62, 2.82 A)
 &rst
  ixpk= 1222, nxpk= 20, iat= 123, 127, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  81 THR          HB    8 VAL          HB  5.50   (#   1223:20  Preassigned   2.72, 3.64 A)
 &rst
  ixpk= 1223, nxpk= 20, iat=1247, 127, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   20-2:1225    8 VAL          HB  4.00   (#   1225:20      Single   Ambig  )
 &rst
  ixpk= 1225, nxpk= 20, iat=  -1, 127, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 584, 585, 586, 588, 589, 590,1419,1420,1421,1423,
      1424,1425,
 &end
#
#  37 LEU         MDX    8 VAL          HB  5.50   (#   1226:20  Preassigned   2.34, 6.46 A)
 &rst
  ixpk= 1226, nxpk= 20, iat=  -1, 127, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 584, 585, 586, 588, 589, 590,
 &end
#
#  29 GLU          HA   29 GLU         HG+  5.50   (#   1227:20  Preassigned   2.43, 3.50 A)
 &rst
  ixpk= 1227, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 467, 468,
 &end
#
#  30 LEU         MDY   29 GLU         HG-  5.50   (#   1230:20  Preassigned   2.20, 6.78 A)
 &rst
  ixpk= 1230, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 484, 485, 486, 488, 489, 490,
 igr2= 467, 468,
 &end
#
#  29 GLU          HA   29 GLU         HG-  4.00   (#   1231:20  Preassigned   2.43, 3.50 A)
 &rst
  ixpk= 1231, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 467, 468,
 &end
#
#  87 ILE         QG2   88 GLU         HG-  5.50   (#   1233:20  Preassigned   3.90, 6.35 A)
 &rst
  ixpk= 1233, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1358,1359,1360,
 igr2=1378,1379,
 &end
#
#  88 GLU          HN   88 GLU         HG-  4.00   (#   1234:20  Preassigned   2.25, 3.64 A)
 &rst
  ixpk= 1234, nxpk= 20, iat=1371,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1378,1379,
 &end
#
#  88 GLU          HA   88 GLU         HG-  5.50   (#   1235:20  Preassigned   2.38, 2.92 A)
 &rst
  ixpk= 1235, nxpk= 20, iat=1373,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1378,1379,
 &end
#
# 110 GLU          HN  110 GLU         HG+  5.50   (#   1236:20  Preassigned   2.73, 4.00 A)
 &rst
  ixpk= 1236, nxpk= 20, iat=1727,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1734,1735,
 &end
#
# 110 GLU          HA  110 GLU         HG+  5.50   (#   1238:20  Preassigned   2.25, 2.87 A)
 &rst
  ixpk= 1238, nxpk= 20, iat=1729,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1734,1735,
 &end
#
# 110 GLU          HN  110 GLU         HG-  5.50   (#   1240:20  Preassigned   2.73, 4.00 A)
 &rst
  ixpk= 1240, nxpk= 20, iat=1727,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1734,1735,
 &end
#
#  96 GLU          HA   96 GLU         HG-  5.50   (#   1241:20  Preassigned   2.40, 3.57 A)
 &rst
  ixpk= 1241, nxpk= 20, iat=1498,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1503,1504,
 &end
#
# 110 GLU          HA  110 GLU         HG-  5.50   (#   1242:20  Preassigned   2.25, 2.87 A)
 &rst
  ixpk= 1242, nxpk= 20, iat=1729,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1734,1735,
 &end
#
#  96 GLU          HN   96 GLU         HG-  5.50   (#   1244:20  Preassigned   1.92, 3.16 A)
 &rst
  ixpk= 1244, nxpk= 20, iat=1496,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1503,1504,
 &end
#
#  57 GLN          HN   57 GLN         HG+  5.50   (#   1246:20  Preassigned   2.48, 3.55 A)
 &rst
  ixpk= 1246, nxpk= 20, iat= 840,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 847, 848,
 &end
#
#  57 GLN          HA   57 GLN         HG+  4.00   (#   1247:20  Preassigned   2.43, 3.22 A)
 &rst
  ixpk= 1247, nxpk= 20, iat= 842,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 847, 848,
 &end
#
#  57 GLN          HN   57 GLN         HG-  4.00   (#   1248:20  Preassigned   2.48, 3.55 A)
 &rst
  ixpk= 1248, nxpk= 20, iat= 840,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 847, 848,
 &end
#
#  57 GLN          HA   57 GLN         HG-  4.00   (#   1249:20  Preassigned   2.43, 3.22 A)
 &rst
  ixpk= 1249, nxpk= 20, iat= 842,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 847, 848,
 &end
#
#  34 SER          HN   33 GLU         HB+  5.50   (#   1250:20      Unique   2.13, 3.27 A)
 &rst
  ixpk= 1250, nxpk= 20, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 536, 537,
 &end
#
#  57 GLN        HE2+   57 GLN         HG-  4.00   (#   1251:20  Preassigned   2.22, 3.36 A)
 &rst
  ixpk= 1251, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 852, 853,
 igr2= 847, 848,
 &end
#
#  35 ALA          MB   66 ARG         HB-  5.50   (#   1253:20  Preassigned   3.33, 5.65 A)
 &rst
  ixpk= 1253, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 562, 563, 564,
 igr2= 970, 971,
 &end
#
#  66 ARG          HE   66 ARG         HB+  5.50   (#   1254:20  Preassigned   2.47, 4.07 A)
 &rst
  ixpk= 1254, nxpk= 20, iat= 979,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 970, 971,
 &end
#
#  66 ARG         HG-   66 ARG         HB+  4.00   (#   1255:20  Preassigned   2.28, 2.69 A)
 &rst
  ixpk= 1255, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 973, 974,
 igr2= 970, 971,
 &end
#
#  66 ARG          HA   66 ARG         HB-  5.50   (#   1256:20  Preassigned   2.29, 2.48 A)
 &rst
  ixpk= 1256, nxpk= 20, iat= 968,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 970, 971,
 &end
#
#  67 GLN          HN   66 ARG         HB-  5.50   (#   1257:20  Preassigned   2.73, 3.60 A)
 &rst
  ixpk= 1257, nxpk= 20, iat= 990,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 970, 971,
 &end
#
#  35 ALA          MB   66 ARG         HB-  5.50   (#   1258:20  Preassigned   3.33, 5.65 A)
 &rst
  ixpk= 1258, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 562, 563, 564,
 igr2= 970, 971,
 &end
#
#  66 ARG         HD+   66 ARG         HB-  5.50   (#   1259:20  Preassigned   2.37, 3.19 A)
 &rst
  ixpk= 1259, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 976, 977,
 igr2= 970, 971,
 &end
#
#  66 ARG         HG-   66 ARG         HB-  4.00   (#   1260:20  Preassigned   2.28, 2.69 A)
 &rst
  ixpk= 1260, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 973, 974,
 igr2= 970, 971,
 &end
#
#  32 VAL         MGY    0 AMB   20-1:1261  5.50   (#   1261:20      Single   Ambig  )
 &rst
  ixpk= 1261, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 522, 523, 524, 526, 527, 528,
 igr2= 374, 375, 374, 375,
 &end
#
#  32 VAL          HB    0 AMB   20-1:1266  4.00   (#   1266:20      Single   Ambig  )
 &rst
  ixpk= 1266, nxpk= 20, iat= 520,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr2= 374, 375, 374, 375,
 &end
#
#  24 GLN          HN    0 AMB   20-1:1267  4.00   (#   1267:20      Single   Ambig  )
 &rst
  ixpk= 1267, nxpk= 20, iat= 367,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr2= 374, 375, 374, 375,
 &end
#
#  24 GLN         HB-    0 AMB   20-1:1269  5.50   (#   1269:20      Single   Ambig  )
 &rst
  ixpk= 1269, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 371, 372,
 igr2= 374, 375, 374, 375,
 &end
#
#  32 VAL          HB    0 AMB   20-1:1270  5.50   (#   1270:20      Single   Ambig  )
 &rst
  ixpk= 1270, nxpk= 20, iat= 520,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 374, 375, 374, 375,
 &end
#
#  32 VAL         MGX    0 AMB   20-1:1271  5.50   (#   1271:20      Single   Ambig  )
 &rst
  ixpk= 1271, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 522, 523, 524, 526, 527, 528,
 igr2= 374, 375, 374, 375,
 &end
#
# 146 GLN          HN  146 GLN         HG+  4.00   (#   1272:20  Preassigned   2.06, 3.56 A)
 &rst
  ixpk= 1272, nxpk= 20, iat=2307,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=2314,2315,
 &end
#
# 147 VAL          HN  146 GLN         HG+  7.00   (#   1273:20  Preassigned   2.51, 4.35 A)
 &rst
  ixpk= 1273, nxpk= 20, iat=2324,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=2314,2315,
 &end
#
# 146 GLN        HE2+  146 GLN         HG+  5.50   (#   1274:20  Preassigned   2.21, 3.34 A)
 &rst
  ixpk= 1274, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2319,2320,
 igr2=2314,2315,
 &end
#
# 146 GLN        HE2-  146 GLN         HG+  5.50   (#   1275:20  Preassigned   2.21, 3.34 A)
 &rst
  ixpk= 1275, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2319,2320,
 igr2=2314,2315,
 &end
#
#   0 AMB   20-2:1276    0 AMB   20-1:1276  4.00   (#   1276:20      Double   Ambig  )
 &rst
  ixpk= 1276, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
 igr1=1457,2224,
 igr2=1459,1460,2229,2230,
 &end
#
#  90 LEU          HA   93 MET         HB+  5.50   (#   1277:20  Preassigned   2.30, 3.36 A)
 &rst
  ixpk= 1277, nxpk= 20, iat=1412,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1459,1460,
 &end
#
#  94 ALA          HN   93 MET         HB+  5.50   (#   1278:20  Preassigned   2.73, 3.37 A)
 &rst
  ixpk= 1278, nxpk= 20, iat=1472,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1459,1460,
 &end
#
#  93 MET          HN   93 MET         HB+  5.50   (#   1279:20  Preassigned   2.34, 3.02 A)
 &rst
  ixpk= 1279, nxpk= 20, iat=1455,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1459,1460,
 &end
#
#   0 AMB   20-2:1280    0 AMB   20-1:1280  5.50   (#   1280:20      Double   Ambig  )
 &rst
  ixpk= 1280, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1457,2224,
 igr2=1459,1460,2229,2230,
 &end
#
#  93 MET         HG-   93 MET         HB+  4.00   (#   1281:20  Preassigned   2.36, 2.75 A)
 &rst
  ixpk= 1281, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1462,1463,
 igr2=1459,1460,
 &end
#
#  67 GLN          HN   66 ARG         HB+  5.50   (#   1282:20  Preassigned   2.73, 3.60 A)
 &rst
  ixpk= 1282, nxpk= 20, iat= 990,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 970, 971,
 &end
#
#  66 ARG         HD+   66 ARG         HB+  5.50   (#   1283:20  Preassigned   2.37, 3.19 A)
 &rst
  ixpk= 1283, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 976, 977,
 igr2= 970, 971,
 &end
#
#  66 ARG          HA   66 ARG         HB+  5.50   (#   1284:20  Preassigned   2.29, 2.48 A)
 &rst
  ixpk= 1284, nxpk= 20, iat= 968,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 970, 971,
 &end
#
#  66 ARG         HD-   66 ARG         HB-  5.50   (#   1285:20  Preassigned   2.37, 3.19 A)
 &rst
  ixpk= 1285, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 976, 977,
 igr2= 970, 971,
 &end
#
# 140 GLN         HG-  137 GLN         HG+  5.50   (#   1286:20  Preassigned   4.33, 6.26 A)
 &rst
  ixpk= 1286, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2229,2230,
 igr2=2178,2179,
 &end
#
# 140 GLN          HN  140 GLN         HG-  5.50   (#   1287:20  Preassigned   2.55, 4.07 A)
 &rst
  ixpk= 1287, nxpk= 20, iat=2222,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2229,2230,
 &end
#
# 146 GLN          HA  146 GLN         HG+  4.00   (#   1289:20  Preassigned   2.38, 3.23 A)
 &rst
  ixpk= 1289, nxpk= 20, iat=2309,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=2314,2315,
 &end
#
# 146 GLN         HB+  146 GLN         HG+  4.00   (#   1290:20  Preassigned   2.38, 2.71 A)
 &rst
  ixpk= 1290, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=2311,2312,
 igr2=2314,2315,
 &end
#
# 140 GLN          HN  140 GLN         HG+  5.50   (#   1293:20  Preassigned   2.55, 4.07 A)
 &rst
  ixpk= 1293, nxpk= 20, iat=2222,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2229,2230,
 &end
#
#   0 AMB   20-2:1294    0 AMB   20-1:1294  2.80   (#   1294:20      Double   Ambig  )
 &rst
  ixpk= 1294, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1457,2224,
 igr2=1459,1460,2229,2230,
 &end
#
#  93 MET          HN   93 MET         HB-  5.50   (#   1298:20  Preassigned   2.34, 3.02 A)
 &rst
  ixpk= 1298, nxpk= 20, iat=1455,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1459,1460,
 &end
#
#  93 MET         HG+   93 MET         HB-  4.00   (#   1299:20  Preassigned   2.36, 2.75 A)
 &rst
  ixpk= 1299, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1462,1463,
 igr2=1459,1460,
 &end
#
#  32 VAL          HN   32 VAL          HB  5.50   (#   1300:20  Preassigned   2.87, 3.07 A)
 &rst
  ixpk= 1300, nxpk= 20, iat= 516, 520, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   20-2:1301   32 VAL          HB  5.50   (#   1301:20      Single   Ambig  )
 &rst
  ixpk= 1301, nxpk= 20, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 374, 375, 374, 375,
 &end
#
#  32 VAL         MGY   32 VAL          HB  4.00   (#   1302:20  Preassigned   2.38, 2.66 A)
 &rst
  ixpk= 1302, nxpk= 20, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 522, 523, 524, 526, 527, 528,
 &end
#
# 140 GLN        HE2+  140 GLN         HG+  5.50   (#   1303:20  Preassigned   2.24, 3.28 A)
 &rst
  ixpk= 1303, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2234,2235,
 igr2=2229,2230,
 &end
#
# 137 GLN          HN  137 GLN         HG-  4.00   (#   1304:20  Preassigned   2.45, 2.96 A)
 &rst
  ixpk= 1304, nxpk= 20, iat=2171,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=2178,2179,
 &end
#
# 137 GLN          HA    0 AMB   20-1:1305  4.00   (#   1305:20      Single   Ambig  )
 &rst
  ixpk= 1305, nxpk= 20, iat=2173,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr2=2229,2230,2178,2179,
 &end
#
#   0 AMB   20-2:1306  137 GLN         HG-  5.50   (#   1306:20      Single   Ambig  )
 &rst
  ixpk= 1306, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=2175,2176,2154,2155,
 igr2=2178,2179,
 &end
#
# 100 LYS          HA  100 LYS         HB+  4.00   (#   1309:20  Preassigned   2.35, 2.74 A)
 &rst
  ixpk= 1309, nxpk= 20, iat=1561,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1563,1564,
 &end
#
# 100 LYS         HD-  100 LYS         HB+  5.50   (#   1311:20  Preassigned   2.46, 3.16 A)
 &rst
  ixpk= 1311, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1569,1570,
 igr2=1563,1564,
 &end
#
# 100 LYS         HD-  100 LYS         HB+  5.50   (#   1312:20  Preassigned   2.46, 3.16 A)
 &rst
  ixpk= 1312, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1569,1570,
 igr2=1563,1564,
 &end
#
# 100 LYS         HD+  100 LYS         HB+  5.50   (#   1313:20  Preassigned   2.46, 3.16 A)
 &rst
  ixpk= 1313, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1569,1570,
 igr2=1563,1564,
 &end
#
#  32 VAL          HA   32 VAL          HB  5.50   (#   1314:20  Preassigned   2.36, 2.87 A)
 &rst
  ixpk= 1314, nxpk= 20, iat= 518, 520, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  32 VAL         MGX   32 VAL          HB  4.00   (#   1315:20  Preassigned   2.38, 2.66 A)
 &rst
  ixpk= 1315, nxpk= 20, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 522, 523, 524, 526, 527, 528,
 &end
#
#  86 HIS          HN   86 HIS         HB-  7.00   (#   1316:20  Preassigned   2.32, 3.06 A)
 &rst
  ixpk= 1316, nxpk= 20, iat=1335,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1339,1340,
 &end
#
#  81 THR         MG2   86 HIS         HB-  5.50   (#   1317:20  Preassigned   2.34, 3.54 A)
 &rst
  ixpk= 1317, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1249,1250,1251,
 igr2=1339,1340,
 &end
#
#  37 LEU         MDX   86 HIS         HB+  5.50   (#   1318:20  Preassigned   2.27, 5.25 A)
 &rst
  ixpk= 1318, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 584, 585, 586, 588, 589, 590,
 igr2=1339,1340,
 &end
#
#  86 HIS          HA   86 HIS         HB+  5.50   (#   1321:20  Preassigned   2.38, 2.74 A)
 &rst
  ixpk= 1321, nxpk= 20, iat=1337,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1339,1340,
 &end
#
#  81 THR         MG2   86 HIS         HB+  6.00   (#   1322:20      Unique   2.34, 3.54 A)
 &rst
  ixpk= 1322, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1249,1250,1251,
 igr2=1339,1340,
 &end
#
# 137 GLN        HE2-  137 GLN         HG-  5.50   (#   1323:20  Preassigned   2.15, 3.23 A)
 &rst
  ixpk= 1323, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2183,2184,
 igr2=2178,2179,
 &end
#
# 137 GLN        HE2+  137 GLN         HG-  5.50   (#   1324:20  Preassigned   2.15, 3.23 A)
 &rst
  ixpk= 1324, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2183,2184,
 igr2=2178,2179,
 &end
#
# 147 VAL          HN  147 VAL          HB  5.50   (#   1326:20  Preassigned   2.82, 3.68 A)
 &rst
  ixpk= 1326, nxpk= 20, iat=2324,2328, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  84 LYS         HG-   83 GLU         HB+  5.50   (#   1328:20  Preassigned   3.90, 6.06 A)
 &rst
  ixpk= 1328, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1296,1297,
 igr2=1278,1279,
 &end
#
#  43 LYS         HG+   43 LYS         HB-  4.00   (#   1329:20  Preassigned   2.23, 2.72 A)
 &rst
  ixpk= 1329, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 660, 661,
 igr2= 657, 658,
 &end
#
#   0 AMB   20-2:1330   43 LYS         HB-  4.00   (#   1330:20      Single   Ambig  )
 &rst
  ixpk= 1330, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.87, r4= 6.62,
 igr1= 660, 661, 960, 961, 962,
 igr2= 657, 658,
 &end
#
#  43 LYS          HN   43 LYS         HB-  5.50   (#   1331:20  Preassigned   2.22, 2.55 A)
 &rst
  ixpk= 1331, nxpk= 20, iat= 653,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 657, 658,
 &end
#
#  83 GLU         HG+   83 GLU         HB-  5.50   (#   1333:20  Preassigned   2.28, 2.73 A)
 &rst
  ixpk= 1333, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1281,1282,
 igr2=1278,1279,
 &end
#
#  97 MET          HN   97 MET         HG+  5.50   (#   1335:20  Preassigned   2.29, 3.64 A)
 &rst
  ixpk= 1335, nxpk= 20, iat=1511,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1518,1519,
 &end
#
#   0 AMB   20-2:1336    0 AMB   20-1:1336  5.50   (#   1336:20      Double   Ambig  )
 &rst
  ixpk= 1336, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1879,1880,1879,1880,
 igr2=1876,1877,1876,1877,
 &end
#
# 119 LYS         HG-    0 AMB   20-1:1337  5.50   (#   1337:20      Single   Ambig  )
 &rst
  ixpk= 1337, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1879,1880,
 igr2=1876,1877,1876,1877,
 &end
#
#  44 GLY          HN   43 LYS         HB-  5.50   (#   1340:20  Preassigned   2.51, 3.77 A)
 &rst
  ixpk= 1340, nxpk= 20, iat= 675,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 657, 658,
 &end
#
#   1 MET         HG-    1 MET         HB-  4.00   (#   1342:20  Preassigned   2.31, 2.66 A)
 &rst
  ixpk= 1342, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=  11,  12,
 igr2=   8,   9,
 &end
#
#   1 MET          HA    0 AMB   20-1:1343  4.00   (#   1343:20      Single   Ambig  )
 &rst
  ixpk= 1343, nxpk= 20, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr2=   8,   9,   8,   9,
 &end
#
#  47 PRO          HA   47 PRO         HB+  4.00   (#   1344:20  Preassigned   2.26, 2.66 A)
 &rst
  ixpk= 1344, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 711, 712,
 &end
#
#  47 PRO         HD+   47 PRO         HB+  5.50   (#   1345:20  Preassigned   2.84, 3.68 A)
 &rst
  ixpk= 1345, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 705, 706,
 igr2= 711, 712,
 &end
#
#   0 AMB   20-2:1346    0 AMB   20-1:1346  5.50   (#   1346:20      Double   Ambig  )
 &rst
  ixpk= 1346, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 746,1585,
 igr2= 711, 712,1518,1519,
 &end
#
#  47 PRO         HG+   47 PRO         HB+  4.00   (#   1348:20  Preassigned   2.38, 2.63 A)
 &rst
  ixpk= 1348, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 708, 709,
 igr2= 711, 712,
 &end
#
#  47 PRO         HG-   47 PRO         HB+  2.80   (#   1349:20  Preassigned   2.38, 2.63 A)
 &rst
  ixpk= 1349, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 708, 709,
 igr2= 711, 712,
 &end
#
#  94 ALA          MB   97 MET         HG-  4.00   (#   1350:20  Preassigned   2.28, 4.23 A)
 &rst
  ixpk= 1350, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1476,1477,1478,
 igr2=1518,1519,
 &end
#
#  97 MET          HN   97 MET         HG-  5.50   (#   1351:20  Preassigned   2.29, 3.64 A)
 &rst
  ixpk= 1351, nxpk= 20, iat=1511,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1518,1519,
 &end
#
#  94 ALA          MB   97 MET         HG+  5.50   (#   1354:20  Preassigned   2.28, 4.23 A)
 &rst
  ixpk= 1354, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1476,1477,1478,
 igr2=1518,1519,
 &end
#
# 101 VAL          HN  101 VAL          HB  4.00   (#   1355:20  Preassigned   2.25, 2.42 A)
 &rst
  ixpk= 1355, nxpk= 20, iat=1581,1585, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB   20-2:1356  101 VAL          HB  2.80   (#   1356:20      Single   Ambig  )
 &rst
  ixpk= 1356, nxpk= 20, iat=  -1,1585, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1587,1588,1589,1591,1592,1593,1587,1588,1589,1591,
      1592,1593,
 &end
#
#   0 AMB   20-2:1357  101 VAL          HB  4.00   (#   1357:20      Single   Ambig  )
 &rst
  ixpk= 1357, nxpk= 20, iat=  -1,1585, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1587,1588,1589,1591,1592,1593,1587,1588,1589,1591,
      1592,1593,
 &end
#
# 101 VAL          HA  101 VAL          HB  5.50   (#   1358:20  Preassigned   2.61, 3.03 A)
 &rst
  ixpk= 1358, nxpk= 20, iat=1583,1585, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  28 PRO          HA   28 PRO         HB-  4.00   (#   1359:20  Preassigned   2.27, 2.58 A)
 &rst
  ixpk= 1359, nxpk= 20, iat= 456,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 453, 454,
 &end
#
#  28 PRO         HD+   28 PRO         HB-  5.50   (#   1361:20  Preassigned   2.82, 3.68 A)
 &rst
  ixpk= 1361, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 447, 448,
 igr2= 453, 454,
 &end
#
#  28 PRO         HD-   28 PRO         HB-  5.50   (#   1362:20  Preassigned   2.82, 3.68 A)
 &rst
  ixpk= 1362, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 447, 448,
 igr2= 453, 454,
 &end
#
#   0 AMB   20-2:1363    0 AMB   20-1:1363  5.50   (#   1363:20      Double   Ambig  )
 &rst
  ixpk= 1363, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 705, 706, 720,
 igr2= 711, 712, 711, 712,
 &end
#
#   4 ASN          HA   31 LYS         HB-  5.50   (#   1366:20  Preassigned   2.12, 3.49 A)
 &rst
  ixpk= 1366, nxpk= 20, iat=  57,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 498, 499,
 &end
#
#  31 LYS         HG-   31 LYS         HB-  4.00   (#   1367:20  Preassigned   2.30, 2.72 A)
 &rst
  ixpk= 1367, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 501, 502,
 igr2= 498, 499,
 &end
#
# 112 GLU          HN  112 GLU         HB+  5.50   (#   1368:20  Preassigned   2.16, 3.12 A)
 &rst
  ixpk= 1368, nxpk= 20, iat=1753,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1757,1758,
 &end
#
# 114 PRO         HD-  114 PRO         HB+  5.50   (#   1369:20  Preassigned   2.79, 3.68 A)
 &rst
  ixpk= 1369, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1788,1789,
 igr2=1794,1795,
 &end
#
# 112 GLU          HA  112 GLU         HB+  5.50   (#   1370:20  Preassigned   2.35, 2.52 A)
 &rst
  ixpk= 1370, nxpk= 20, iat=1755,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1757,1758,
 &end
#
#   0 AMB   20-2:1371    0 AMB   20-1:1371  5.50   (#   1371:20      Double   Ambig  )
 &rst
  ixpk= 1371, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 447, 448,1788,1789,
 igr2= 453, 454,2002,
 &end
#
# 127 VAL         MGY  114 PRO         HB+  4.00   (#   1372:20      Unique   2.31, 4.93 A)
 &rst
  ixpk= 1372, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=2004,2005,2006,2008,2009,2010,
 igr2=1794,1795,
 &end
#
# 123 THR         MG2  114 PRO         HB+  5.50   (#   1373:20  Preassigned   3.50, 5.27 A)
 &rst
  ixpk= 1373, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1950,1951,1952,
 igr2=1794,1795,
 &end
#
#  28 PRO          HA   28 PRO         HB+  2.80   (#   1374:20  Preassigned   2.27, 2.58 A)
 &rst
  ixpk= 1374, nxpk= 20, iat= 456,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 453, 454,
 &end
#
#  28 PRO         HD+   28 PRO         HB+  5.50   (#   1376:20  Preassigned   2.82, 3.68 A)
 &rst
  ixpk= 1376, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 447, 448,
 igr2= 453, 454,
 &end
#
#  90 LEU         MDX  101 VAL          HB  5.50   (#   1377:20  Preassigned   4.10, 6.11 A)
 &rst
  ixpk= 1377, nxpk= 20, iat=  -1,1585, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1419,1420,1421,1423,1424,1425,
 &end
#
#   4 ASN          HA   31 LYS         HB+  5.50   (#   1378:20  Preassigned   2.12, 3.49 A)
 &rst
  ixpk= 1378, nxpk= 20, iat=  57,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 498, 499,
 &end
#
#  31 LYS         HG-   31 LYS         HB+  4.00   (#   1379:20  Preassigned   2.30, 2.72 A)
 &rst
  ixpk= 1379, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 501, 502,
 igr2= 498, 499,
 &end
#
#   7 VAL          HN    7 VAL          HB  5.50   (#   1381:20  Preassigned   2.54, 2.77 A)
 &rst
  ixpk= 1381, nxpk= 20, iat= 107, 111, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  16 SER          HA    7 VAL          HB  5.50   (#   1382:20  Preassigned   2.67, 3.32 A)
 &rst
  ixpk= 1382, nxpk= 20, iat= 243, 111, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  16 SER         HB-    7 VAL          HB  5.50   (#   1383:20      Unique   2.39, 3.58 A)
 &rst
  ixpk= 1383, nxpk= 20, iat=  -1, 111, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 245, 246,
 &end
#
#   7 VAL         MGX    7 VAL          HB  4.00   (#   1384:20  Preassigned   2.36, 2.67 A)
 &rst
  ixpk= 1384, nxpk= 20, iat=  -1, 111, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 113, 114, 115, 117, 118, 119,
 &end
#
#   7 VAL         MGY    7 VAL          HB  4.00   (#   1385:20  Preassigned   2.36, 2.67 A)
 &rst
  ixpk= 1385, nxpk= 20, iat=  -1, 111, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 113, 114, 115, 117, 118, 119,
 &end
#
#  16 SER         HB-    7 VAL          HB  5.50   (#   1386:20      Unique   2.39, 3.58 A)
 &rst
  ixpk= 1386, nxpk= 20, iat=  -1, 111, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 245, 246,
 &end
#
#   7 VAL         MGX    7 VAL          HB  5.50   (#   1387:20  Preassigned   2.36, 2.67 A)
 &rst
  ixpk= 1387, nxpk= 20, iat=  -1, 111, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 113, 114, 115, 117, 118, 119,
 &end
#
#   7 VAL          HA    7 VAL          HB  5.50   (#   1388:20  Preassigned   2.38, 3.01 A)
 &rst
  ixpk= 1388, nxpk= 20, iat= 109, 111, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   7 VAL         MGY    7 VAL          HB  4.00   (#   1389:20  Preassigned   2.36, 2.67 A)
 &rst
  ixpk= 1389, nxpk= 20, iat=  -1, 111, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 113, 114, 115, 117, 118, 119,
 &end
#
# 106 HIS         HD2  106 HIS         HB-  7.00   (#   1390:20  Preassigned   2.55, 3.07 A)
 &rst
  ixpk= 1390, nxpk= 20, iat=1673,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1664,1665,
 &end
#
# 102 MET          HA  102 MET         HG-  4.00   (#   1391:20  Preassigned   2.30, 3.03 A)
 &rst
  ixpk= 1391, nxpk= 20, iat=1599,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1604,1605,
 &end
#
# 102 MET          ME  102 MET         HG-  4.00   (#   1392:20  Preassigned   2.40, 3.62 A)
 &rst
  ixpk= 1392, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1608,1609,1610,
 igr2=1604,1605,
 &end
#
#   0 AMB   20-2:1393    0 AMB   20-1:1393  5.50   (#   1393:20      Double   Ambig  )
 &rst
  ixpk= 1393, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
 igr1= 501, 502,1608,1609,1610,
 igr2= 498, 499,1604,1605,
 &end
#
#  31 LYS         HG-   31 LYS         HB-  4.00   (#   1394:20  Preassigned   2.30, 2.72 A)
 &rst
  ixpk= 1394, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 501, 502,
 igr2= 498, 499,
 &end
#
#  31 LYS          HN   31 LYS         HB-  4.00   (#   1396:20  Preassigned   2.17, 2.84 A)
 &rst
  ixpk= 1396, nxpk= 20, iat= 494,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 498, 499,
 &end
#
#  31 LYS         HG+   31 LYS         HB-  5.50   (#   1401:20  Preassigned   2.30, 2.72 A)
 &rst
  ixpk= 1401, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 501, 502,
 igr2= 498, 499,
 &end
#
# 127 VAL          HA  127 VAL          HB  7.00   (#   1402:20  Preassigned   2.38, 2.84 A)
 &rst
  ixpk= 1402, nxpk= 20, iat=2000,2002, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   0 AMB   20-2:1405    0 AMB   20-1:1405  4.00   (#   1405:20      Double   Ambig  )
 &rst
  ixpk= 1405, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
 igr1=1601,1602,1734,1735,
 igr2=1664,1665,1664,1665,
 &end
#
#   0 AMB   20-2:1407    0 AMB   20-1:1407  5.50   (#   1407:20      Double   Ambig  )
 &rst
  ixpk= 1407, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 494,1677,
 igr2= 498, 499,1664,1665,
 &end
#
#  31 LYS         HG+   31 LYS         HB+  5.50   (#   1410:20  Preassigned   2.30, 2.72 A)
 &rst
  ixpk= 1410, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 501, 502,
 igr2= 498, 499,
 &end
#
#  31 LYS         HG+   31 LYS         HB+  5.50   (#   1411:20  Preassigned   2.30, 2.72 A)
 &rst
  ixpk= 1411, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 501, 502,
 igr2= 498, 499,
 &end
#
# 106 HIS          HA  106 HIS         HB-  5.50   (#   1412:20  Preassigned   2.38, 2.76 A)
 &rst
  ixpk= 1412, nxpk= 20, iat=1662,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1664,1665,
 &end
#
# 106 HIS          HN  106 HIS         HB-  4.00   (#   1413:20  Preassigned   2.31, 2.55 A)
 &rst
  ixpk= 1413, nxpk= 20, iat=1660,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1664,1665,
 &end
#
#  63 HIS          HA   63 HIS         HB-  5.50   (#   1415:20  Preassigned   2.45, 2.79 A)
 &rst
  ixpk= 1415, nxpk= 20, iat= 930,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 932, 933,
 &end
#
#  67 GLN          HA   67 GLN         HG-  5.50   (#   1418:20  Preassigned   2.32, 3.12 A)
 &rst
  ixpk= 1418, nxpk= 20, iat= 992,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 997, 998,
 &end
#
#  67 GLN        HE2+   67 GLN         HG-  5.50   (#   1419:20  Preassigned   2.22, 3.25 A)
 &rst
  ixpk= 1419, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1002,1003,
 igr2= 997, 998,
 &end
#
#  78 LEU         MDY  102 MET         HG-  5.50   (#   1422:20      Unique   2.52, 5.87 A)
 &rst
  ixpk= 1422, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1195,1196,1197,1199,1200,1201,
 igr2=1604,1605,
 &end
#
# 102 MET          HA  102 MET         HG-  5.50   (#   1423:20  Preassigned   2.30, 3.03 A)
 &rst
  ixpk= 1423, nxpk= 20, iat=1599,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1604,1605,
 &end
#
#   1 MET          HA    1 MET         HG-  5.50   (#   1424:20  Preassigned   2.33, 3.30 A)
 &rst
  ixpk= 1424, nxpk= 20, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  11,  12,
 &end
#
#   1 MET          HA    1 MET         HG-  5.50   (#   1427:20  Preassigned   2.33, 3.30 A)
 &rst
  ixpk= 1427, nxpk= 20, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  11,  12,
 &end
#
#   1 MET          HA    1 MET         HG+  5.50   (#   1429:20  Preassigned   2.33, 3.30 A)
 &rst
  ixpk= 1429, nxpk= 20, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  11,  12,
 &end
#
# 127 VAL          HN  127 VAL          HB  5.50   (#   1430:20  Preassigned   2.26, 2.75 A)
 &rst
  ixpk= 1430, nxpk= 20, iat=1998,2002, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 124 PHE          HA  127 VAL          HB  5.50   (#   1431:20  Preassigned   2.35, 3.40 A)
 &rst
  ixpk= 1431, nxpk= 20, iat=1960,2002, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 127 VAL         MGX  127 VAL          HB  2.80   (#   1432:20  Preassigned   2.36, 2.66 A)
 &rst
  ixpk= 1432, nxpk= 20, iat=  -1,2002, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2004,2005,2006,2008,2009,2010,
 &end
#
# 127 VAL          HN  127 VAL          HB  5.50   (#   1433:20  Preassigned   2.26, 2.75 A)
 &rst
  ixpk= 1433, nxpk= 20, iat=1998,2002, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  49 ALA          HA   52 VAL          HB  5.50   (#   1436:20  Preassigned   2.87, 4.14 A)
 &rst
  ixpk= 1436, nxpk= 20, iat= 734, 776, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  52 VAL         MGY   52 VAL          HB  4.00   (#   1437:20  Preassigned   2.40, 2.66 A)
 &rst
  ixpk= 1437, nxpk= 20, iat=  -1, 776, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 778, 779, 780, 782, 783, 784,
 &end
#
#  53 ALA          HN   52 VAL          HB  5.50   (#   1438:20  Preassigned   2.64, 3.32 A)
 &rst
  ixpk= 1438, nxpk= 20, iat= 788, 776, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 106 HIS          HN  106 HIS         HB+  5.50   (#   1441:20  Preassigned   2.31, 2.55 A)
 &rst
  ixpk= 1441, nxpk= 20, iat=1660,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1664,1665,
 &end
#
#  63 HIS          HN   63 HIS         HB-  4.00   (#   1444:20  Preassigned   2.34, 2.83 A)
 &rst
  ixpk= 1444, nxpk= 20, iat= 928,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 932, 933,
 &end
#
#  45 ALA          MB   63 HIS         HB-  5.50   (#   1445:20  Preassigned   2.17, 4.10 A)
 &rst
  ixpk= 1445, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 686, 687, 688,
 igr2= 932, 933,
 &end
#
#  67 GLN        HE2-   67 GLN         HG-  5.50   (#   1447:20  Preassigned   2.22, 3.25 A)
 &rst
  ixpk= 1447, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1002,1003,
 igr2= 997, 998,
 &end
#
#  67 GLN         HB+   67 GLN         HG-  5.50   (#   1448:20  Preassigned   2.33, 2.68 A)
 &rst
  ixpk= 1448, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 994, 995,
 igr2= 997, 998,
 &end
#
#  67 GLN         HB-   67 GLN         HG-  5.50   (#   1449:20  Preassigned   2.33, 2.68 A)
 &rst
  ixpk= 1449, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 994, 995,
 igr2= 997, 998,
 &end
#
#  95 PRO          HA   95 PRO         HB-  4.00   (#   1450:20  Preassigned   2.28, 2.55 A)
 &rst
  ixpk= 1450, nxpk= 20, iat=1492,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1489,1490,
 &end
#
#  95 PRO         HD-   95 PRO         HB-  5.50   (#   1451:20  Preassigned   2.82, 3.69 A)
 &rst
  ixpk= 1451, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1483,1484,
 igr2=1489,1490,
 &end
#
#   0 AMB   20-2:1452   95 PRO         HB-  5.50   (#   1452:20      Single   Ambig  )
 &rst
  ixpk= 1452, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1483,1484,1538,1539,
 igr2=1489,1490,
 &end
#
#  53 ALA          HN   52 VAL          HB  5.50   (#   1454:20  Preassigned   2.64, 3.32 A)
 &rst
  ixpk= 1454, nxpk= 20, iat= 788, 776, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  52 VAL          HA   52 VAL          HB  5.50   (#   1455:20  Preassigned   2.41, 2.74 A)
 &rst
  ixpk= 1455, nxpk= 20, iat= 774, 776, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  84 LYS          HN   84 LYS         HB-  5.50   (#   1456:20  Preassigned   2.39, 2.90 A)
 &rst
  ixpk= 1456, nxpk= 20, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1293,1294,
 &end
#
#  93 MET         HB-   93 MET         HG-  5.50   (#   1457:20  Preassigned   2.36, 2.75 A)
 &rst
  ixpk= 1457, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1459,1460,
 igr2=1462,1463,
 &end
#
#  93 MET         HB+   93 MET         HG-  4.00   (#   1458:20  Preassigned   2.36, 2.75 A)
 &rst
  ixpk= 1458, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1459,1460,
 igr2=1462,1463,
 &end
#
#  93 MET          HA   93 MET         HG-  5.50   (#   1459:20  Preassigned   2.33, 2.83 A)
 &rst
  ixpk= 1459, nxpk= 20, iat=1457,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1462,1463,
 &end
#
#  93 MET          ME   93 MET         HG-  5.50   (#   1461:20  Preassigned   2.50, 3.72 A)
 &rst
  ixpk= 1461, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1466,1467,1468,
 igr2=1462,1463,
 &end
#
#  93 MET         HB-   93 MET         HG-  5.50   (#   1462:20  Preassigned   2.36, 2.75 A)
 &rst
  ixpk= 1462, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1459,1460,
 igr2=1462,1463,
 &end
#
#  93 MET          HN   93 MET         HG-  5.50   (#   1463:20  Preassigned   2.40, 3.12 A)
 &rst
  ixpk= 1463, nxpk= 20, iat=1455,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1462,1463,
 &end
#
#  90 LEU          HA   93 MET         HG+  5.50   (#   1464:20  Preassigned   2.05, 4.11 A)
 &rst
  ixpk= 1464, nxpk= 20, iat=1412,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1462,1463,
 &end
#
#  94 ALA          HN   93 MET         HG+  5.50   (#   1465:20  Preassigned   2.67, 4.75 A)
 &rst
  ixpk= 1465, nxpk= 20, iat=1472,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1462,1463,
 &end
#
#  93 MET         HB-   93 MET         HG+  2.80   (#   1466:20  Preassigned   2.36, 2.75 A)
 &rst
  ixpk= 1466, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1459,1460,
 igr2=1462,1463,
 &end
#
#  94 ALA          MB   93 MET         HG+  5.50   (#   1467:20  Preassigned   2.62, 6.58 A)
 &rst
  ixpk= 1467, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1476,1477,1478,
 igr2=1462,1463,
 &end
#
#  93 MET          HA   93 MET         HG+  5.50   (#   1468:20  Preassigned   2.33, 2.83 A)
 &rst
  ixpk= 1468, nxpk= 20, iat=1457,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1462,1463,
 &end
#
#  93 MET          HN   93 MET         HG+  5.50   (#   1469:20  Preassigned   2.40, 3.12 A)
 &rst
  ixpk= 1469, nxpk= 20, iat=1455,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1462,1463,
 &end
#
#   0 AMB   20-2:1470   84 LYS         HB-  4.00   (#   1470:20      Single   Ambig  )
 &rst
  ixpk= 1470, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
 igr1=1296,1297,1296,1297,
 igr2=1293,1294,
 &end
#
#  30 LEU         MDX   27 HIS         HB+  5.50   (#   1477:20  Preassigned   2.34, 4.98 A)
 &rst
  ixpk= 1477, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 484, 485, 486, 488, 489, 490,
 igr2= 433, 434,
 &end
#
#  27 HIS          HA   27 HIS         HB-  5.50   (#   1480:20  Preassigned   2.39, 2.80 A)
 &rst
  ixpk= 1480, nxpk= 20, iat= 431,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 433, 434,
 &end
#
#  30 LEU         HB+   27 HIS         HB-  5.50   (#   1481:20  Preassigned   2.22, 3.48 A)
 &rst
  ixpk= 1481, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 479, 480,
 igr2= 433, 434,
 &end
#
#  37 LEU         MDY    0 AMB   20-1:1482  5.50   (#   1482:20      Single   Ambig  )
 &rst
  ixpk= 1482, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 584, 585, 586, 588, 589, 590,
 igr2=1390,1391,1390,1391,
 &end
#
# 134 SER          HN    0 AMB   20-1:1483  7.00   (#   1483:20      Single   Ambig  )
 &rst
  ixpk= 1483, nxpk= 20, iat=2126,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr2=2106,2107,2106,2107,
 &end
#
#  37 LEU         MDX    0 AMB   20-1:1485  5.50   (#   1485:20      Single   Ambig  )
 &rst
  ixpk= 1485, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 584, 585, 586, 588, 589, 590,
 igr2=1390,1391,1390,1391,
 &end
#
#  37 LEU         MDY    0 AMB   20-1:1486  5.50   (#   1486:20      Single   Ambig  )
 &rst
  ixpk= 1486, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 584, 585, 586, 588, 589, 590,
 igr2=1390,1391,1390,1391,
 &end
#
#  20 GLU          HN   20 GLU         HB-  7.00   (#   1488:20      Unique   2.13, 2.94 A)
 &rst
  ixpk= 1488, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 294, 295,
 &end
#
#   0 AMB   20-2:1492   74 ARG         HB-  4.00   (#   1492:20      Single   Ambig  )
 &rst
  ixpk= 1492, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
 igr1=1125,1126,1071,1072,
 igr2=1119,1120,
 &end
#
# 116 PRO          HA  116 PRO         HB+  5.50   (#   1496:20      Unique   2.33, 2.53 A)
 &rst
  ixpk= 1496, nxpk= 20, iat=1823,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1820,1821,
 &end
#
#  27 HIS          HA   27 HIS         HB-  5.50   (#   1498:20  Preassigned   2.39, 2.80 A)
 &rst
  ixpk= 1498, nxpk= 20, iat= 431,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 433, 434,
 &end
#
#  27 HIS          HN   27 HIS         HB-  5.50   (#   1499:20  Preassigned   2.60, 3.21 A)
 &rst
  ixpk= 1499, nxpk= 20, iat= 429,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 433, 434,
 &end
#
#  30 LEU         MDX   27 HIS         HB-  5.50   (#   1501:20  Preassigned   2.34, 4.98 A)
 &rst
  ixpk= 1501, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 484, 485, 486, 488, 489, 490,
 igr2= 433, 434,
 &end
#
# 133 ARG          HA    0 AMB   20-1:1502  2.80   (#   1502:20      Single   Ambig  )
 &rst
  ixpk= 1502, nxpk= 20, iat=2104,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=2106,2107,2106,2107,
 &end
#
# 132 GLU          HA    0 AMB   20-1:1503  5.50   (#   1503:20      Single   Ambig  )
 &rst
  ixpk= 1503, nxpk= 20, iat=2089,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=2106,2107,2106,2107,
 &end
#
# 133 ARG         HD-    0 AMB   20-1:1504  5.50   (#   1504:20      Single   Ambig  )
 &rst
  ixpk= 1504, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=2112,2113,
 igr2=2106,2107,2106,2107,
 &end
#
#  74 ARG          HN   74 ARG         HB+  5.50   (#   1506:20  Preassigned   2.21, 2.88 A)
 &rst
  ixpk= 1506, nxpk= 20, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1119,1120,
 &end
#
#  89 ARG          HA    0 AMB   20-1:1507  4.00   (#   1507:20      Single   Ambig  )
 &rst
  ixpk= 1507, nxpk= 20, iat=1388,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr2=1390,1391,1390,1391,
 &end
#
#  89 ARG         HD-    0 AMB   20-1:1508  4.00   (#   1508:20      Single   Ambig  )
 &rst
  ixpk= 1508, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
 igr1=1396,1397,
 igr2=1390,1391,1390,1391,
 &end
#
#   0 AMB   20-2:1509    0 AMB   20-1:1509  5.50   (#   1509:20      Double   Ambig  )
 &rst
  ixpk= 1509, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=2072,2073,2072,2073,
 igr2=2106,2107,2106,2107,
 &end
#
# 145 GLU          HA  145 GLU         HB-  4.00   (#   1510:20  Preassigned   2.34, 2.70 A)
 &rst
  ixpk= 1510, nxpk= 20, iat=2294,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=2296,2297,
 &end
#
#  70 ARG          HA    0 AMB   20-1:1511  5.50   (#   1511:20      Single   Ambig  )
 &rst
  ixpk= 1511, nxpk= 20, iat=1039,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1041,1042,1041,1042,
 &end
#
#  70 ARG         HG-    0 AMB   20-1:1512  4.00   (#   1512:20      Single   Ambig  )
 &rst
  ixpk= 1512, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
 igr1=1044,1045,
 igr2=1041,1042,1041,1042,
 &end
#
#  70 ARG          HA    0 AMB   20-1:1513  5.50   (#   1513:20      Single   Ambig  )
 &rst
  ixpk= 1513, nxpk= 20, iat=1039,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1041,1042,1041,1042,
 &end
#
#  20 GLU          HN   20 GLU         HB-  5.50   (#   1514:20  Preassigned   2.13, 2.94 A)
 &rst
  ixpk= 1514, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 294, 295,
 &end
#
#  50 ILE          HN   50 ILE        HG1+  5.50   (#   1517:20  Preassigned   2.09, 2.88 A)
 &rst
  ixpk= 1517, nxpk= 20, iat= 742,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 752, 753,
 &end
#
# 127 VAL         MGY  116 PRO         HB-  4.00   (#   1519:20  Preassigned   2.31, 4.37 A)
 &rst
  ixpk= 1519, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=2004,2005,2006,2008,2009,2010,
 igr2=1820,1821,
 &end
#
# 116 PRO          HA  116 PRO         HB-  5.50   (#   1520:20      Unique   2.33, 2.53 A)
 &rst
  ixpk= 1520, nxpk= 20, iat=1823,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1820,1821,
 &end
#
#  94 ALA          MB   70 ARG         HB-  5.50   (#   1521:20  Preassigned   3.07, 5.55 A)
 &rst
  ixpk= 1521, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1476,1477,1478,
 igr2=1041,1042,
 &end
#
#   0 AMB   20-2:1523  145 GLU         HB-  2.80   (#   1523:20      Single   Ambig  )
 &rst
  ixpk= 1523, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2307,2292,
 igr2=2296,2297,
 &end
#
#  74 ARG         HD+   74 ARG         HB+  4.00   (#   1524:20  Preassigned   2.36, 3.06 A)
 &rst
  ixpk= 1524, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1125,1126,
 igr2=1119,1120,
 &end
#
#   0 AMB   20-2:1529    0 AMB   20-1:1529  2.80   (#   1529:20      Double   Ambig  )
 &rst
  ixpk= 1529, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1071,1072, 315, 316,
 igr2=1065,1066, 910, 911,
 &end
#
#   0 AMB   20-2:1530    0 AMB   20-1:1530  5.50   (#   1530:20      Double   Ambig  )
 &rst
  ixpk= 1530, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=2157,2158,2157,2158,
 igr2=2151,2152,2151,2152,
 &end
#
# 136 ARG         HG+  136 ARG         HB+  5.50   (#   1531:20  Preassigned   2.25, 2.72 A)
 &rst
  ixpk= 1531, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2154,2155,
 igr2=2151,2152,
 &end
#
#  22 LEU         MDX  136 ARG         HB+  5.50   (#   1532:20  Preassigned   4.35, 7.32 A)
 &rst
  ixpk= 1532, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2=2151,2152,
 &end
#
#  72 LEU         MDX   71 ARG         HB-  5.50   (#   1533:20  Preassigned   2.97, 6.36 A)
 &rst
  ixpk= 1533, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1094,1095,1096,1098,1099,1100,
 igr2=1065,1066,
 &end
#
#   0 AMB   20-2:1534    0 AMB   20-1:1534  4.00   (#   1534:20      Double   Ambig  )
 &rst
  ixpk= 1534, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
 igr1=1071,1072, 315, 316,
 igr2=1065,1066, 910, 911,
 &end
#
# 136 ARG         HG+  136 ARG         HB+  5.50   (#   1535:20  Preassigned   2.25, 2.72 A)
 &rst
  ixpk= 1535, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2154,2155,
 igr2=2151,2152,
 &end
#
# 136 ARG         HG+  136 ARG         HB-  4.00   (#   1536:20  Preassigned   2.25, 2.72 A)
 &rst
  ixpk= 1536, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=2154,2155,
 igr2=2151,2152,
 &end
#
#  50 ILE          HA   50 ILE        HG1+  5.50   (#   1537:20  Preassigned   2.43, 2.73 A)
 &rst
  ixpk= 1537, nxpk= 20, iat= 744,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 752, 753,
 &end
#
#   0 AMB   20-2:1538    0 AMB   20-1:1538  5.50   (#   1538:20      Double   Ambig  )
 &rst
  ixpk= 1538, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
       901, 902,
 igr2= 752, 753, 752, 753,
 &end
#
#  45 ALA          MB   50 ILE        HG1+  5.50   (#   1539:20  Preassigned   2.46, 3.57 A)
 &rst
  ixpk= 1539, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 686, 687, 688,
 igr2= 752, 753,
 &end
#
#  50 ILE         QG2   50 ILE        HG1+  5.50   (#   1540:20  Preassigned   2.47, 3.52 A)
 &rst
  ixpk= 1540, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 748, 749, 750,
 igr2= 752, 753,
 &end
#
#  50 ILE         QD1   50 ILE        HG1+  5.50   (#   1542:20  Preassigned   2.37, 2.66 A)
 &rst
  ixpk= 1542, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 755, 756, 757,
 igr2= 752, 753,
 &end
#
#  68 ILE          HA   68 ILE        HG1-  4.00   (#   1543:20  Preassigned   2.25, 3.12 A)
 &rst
  ixpk= 1543, nxpk= 20, iat=1009,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1017,1018,
 &end
#
#   0 AMB   20-2:1544   68 ILE        HG1-  2.80   (#   1544:20      Single   Ambig  )
 &rst
  ixpk= 1544, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1419,1420,1421,1423,1424,1425,1020,1021,1022,
 igr2=1017,1018,
 &end
#
#  69 SER          HN   68 ILE        HG1-  4.00   (#   1545:20  Preassigned   2.18, 2.95 A)
 &rst
  ixpk= 1545, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1017,1018,
 &end
#
#   8 VAL         MGX   68 ILE        HG1-  4.00   (#   1546:20  Preassigned   2.34, 4.88 A)
 &rst
  ixpk= 1546, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 129, 130, 131, 133, 134, 135,
 igr2=1017,1018,
 &end
#
#   8 VAL         MGX   68 ILE        HG1+  5.50   (#   1547:20  Preassigned   2.34, 4.88 A)
 &rst
  ixpk= 1547, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 129, 130, 131, 133, 134, 135,
 igr2=1017,1018,
 &end
#
#  68 ILE          HA   68 ILE        HG1+  5.50   (#   1548:20  Preassigned   2.25, 3.12 A)
 &rst
  ixpk= 1548, nxpk= 20, iat=1009,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1017,1018,
 &end
#
#  69 SER          HN   68 ILE        HG1+  5.50   (#   1549:20  Preassigned   2.18, 2.95 A)
 &rst
  ixpk= 1549, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1017,1018,
 &end
#
#   0 AMB   20-2:1550    0 AMB   20-1:1550  2.80   (#   1550:20      Double   Ambig  )
 &rst
  ixpk= 1550, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1419,1420,1421,1423,1424,1425,1020,1021,1022,
 igr2=1017,1018,1017,1018,
 &end
#
#  68 ILE          HA   68 ILE        HG1+  5.50   (#   1551:20  Preassigned   2.25, 3.12 A)
 &rst
  ixpk= 1551, nxpk= 20, iat=1009,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1017,1018,
 &end
#
# 147 VAL          HN  146 GLN         HB+  5.50   (#   1554:20  Preassigned   1.97, 3.32 A)
 &rst
  ixpk= 1554, nxpk= 20, iat=2324,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2311,2312,
 &end
#
#  92 GLU         HG-   92 GLU         HB+  2.80   (#   1555:20  Preassigned   2.31, 2.67 A)
 &rst
  ixpk= 1555, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1447,1448,
 igr2=1444,1445,
 &end
#
#  55 GLU          HN   55 GLU         HB+  4.00   (#   1557:20  Preassigned   2.14, 2.64 A)
 &rst
  ixpk= 1557, nxpk= 20, iat= 808,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 812, 813,
 &end
#
#   0 AMB   20-2:1563   61 GLU         HB-  4.00   (#   1563:20      Single   Ambig  )
 &rst
  ixpk= 1563, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
 igr1= 913, 914, 913, 914,
 igr2= 910, 911,
 &end
#
#   0 AMB   20-2:1566    0 AMB   20-1:1566  2.80   (#   1566:20      Double   Ambig  )
 &rst
  ixpk= 1566, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=2147, 906,
 igr2=2151,2152, 910, 911,
 &end
#
#   0 AMB   20-2:1567    0 AMB   20-1:1567  4.00   (#   1567:20      Double   Ambig  )
 &rst
  ixpk= 1567, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
 igr1=2171,1085,
 igr2=2151,2152,1065,1066,
 &end
#
#  71 ARG          HA   71 ARG         HB-  4.00   (#   1568:20  Preassigned   2.43, 2.74 A)
 &rst
  ixpk= 1568, nxpk= 20, iat=1063,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1065,1066,
 &end
#
#   0 AMB   20-2:1569    0 AMB   20-1:1569  5.50   (#   1569:20      Double   Ambig  )
 &rst
  ixpk= 1569, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=2157,2158,2157,2158,
 igr2=2151,2152,2151,2152,
 &end
#
#   0 AMB   20-2:1570    0 AMB   20-1:1570  5.50   (#   1570:20      Double   Ambig  )
 &rst
  ixpk= 1570, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 394, 395, 394, 395,
 igr2= 388, 389, 388, 389,
 &end
#
# 136 ARG          HA  136 ARG         HB+  5.50   (#   1572:20  Preassigned   2.29, 2.73 A)
 &rst
  ixpk= 1572, nxpk= 20, iat=2149,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2151,2152,
 &end
#
#   0 AMB   20-2:1573    0 AMB   20-1:1573  4.00   (#   1573:20      Double   Ambig  )
 &rst
  ixpk= 1573, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
 igr1= 391, 392, 391, 392,
 igr2= 388, 389, 388, 389,
 &end
#
#  25 ARG          HN    0 AMB   20-1:1574  2.80   (#   1574:20      Single   Ambig  )
 &rst
  ixpk= 1574, nxpk= 20, iat= 384,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 388, 389, 388, 389,
 &end
#
#   0 AMB   20-2:1575    0 AMB   20-1:1575  5.50   (#   1575:20      Double   Ambig  )
 &rst
  ixpk= 1575, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 394, 395, 394, 395,
 igr2= 388, 389, 388, 389,
 &end
#
# 136 ARG          HN  136 ARG         HB-  5.50   (#   1579:20  Preassigned   2.19, 2.71 A)
 &rst
  ixpk= 1579, nxpk= 20, iat=2147,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2151,2152,
 &end
#
# 136 ARG          HA  136 ARG         HB-  4.00   (#   1581:20  Preassigned   2.29, 2.73 A)
 &rst
  ixpk= 1581, nxpk= 20, iat=2149,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=2151,2152,
 &end
#
# 136 ARG         HD-  136 ARG         HB-  5.50   (#   1582:20  Preassigned   2.35, 3.18 A)
 &rst
  ixpk= 1582, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2157,2158,
 igr2=2151,2152,
 &end
#
#  71 ARG          HA   71 ARG         HB+  4.00   (#   1585:20  Preassigned   2.43, 2.74 A)
 &rst
  ixpk= 1585, nxpk= 20, iat=1063,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1065,1066,
 &end
#
#  68 ILE          HA   68 ILE        HG1+  5.50   (#   1587:20  Preassigned   2.25, 3.12 A)
 &rst
  ixpk= 1587, nxpk= 20, iat=1009,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1017,1018,
 &end
#
#  87 ILE         QG2    0 AMB   20-1:1591  5.50   (#   1591:20      Single   Ambig  )
 &rst
  ixpk= 1591, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1358,1359,1360,
 igr2=1375,1376,1375,1376,
 &end
#
# 146 GLN          HN  146 GLN         HB+  4.00   (#   1592:20  Preassigned   2.28, 3.29 A)
 &rst
  ixpk= 1592, nxpk= 20, iat=2307,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=2311,2312,
 &end
#
#  92 GLU          HN   92 GLU         HB+  4.00   (#   1594:20  Preassigned   2.32, 2.61 A)
 &rst
  ixpk= 1594, nxpk= 20, iat=1440,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1444,1445,
 &end
#
# 144 ALA          MB  146 GLN         HB-  5.50   (#   1599:20  Preassigned   3.02, 6.58 A)
 &rst
  ixpk= 1599, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2286,2287,2288,
 igr2=2311,2312,
 &end
#
#  55 GLU          HA   55 GLU         HB-  5.50   (#   1600:20  Preassigned   2.45, 2.79 A)
 &rst
  ixpk= 1600, nxpk= 20, iat= 810,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 812, 813,
 &end
#
#  60 LEU          HN   61 GLU         HB-  5.50   (#   1601:20  Preassigned   4.07, 5.38 A)
 &rst
  ixpk= 1601, nxpk= 20, iat= 887,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 910, 911,
 &end
#
#   0 AMB   20-2:1604   85 ARG         HB-  4.00   (#   1604:20      Single   Ambig  )
 &rst
  ixpk= 1604, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
 igr1=1375,1376,1375,1376,
 igr2=1315,1316,
 &end
#
#  71 ARG          HN   71 ARG         HB+  5.50   (#   1605:20  Preassigned   2.42, 2.65 A)
 &rst
  ixpk= 1605, nxpk= 20, iat=1061,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1065,1066,
 &end
#
#  85 ARG          HA    0 AMB   20-1:1607  5.50   (#   1607:20      Single   Ambig  )
 &rst
  ixpk= 1607, nxpk= 20, iat=1313,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1375,1376,1375,1376,
 &end
#
#   0 AMB   20-2:1608    0 AMB   20-1:1608  4.00   (#   1608:20      Double   Ambig  )
 &rst
  ixpk= 1608, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
 igr1=2314,2315,2314,2315,
 igr2=2311,2312,2311,2312,
 &end
#
#  55 GLU          HN   55 GLU         HB-  4.00   (#   1609:20  Preassigned   2.14, 2.64 A)
 &rst
  ixpk= 1609, nxpk= 20, iat= 808,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 812, 813,
 &end
#
#  84 LYS         HE+   84 LYS         HD+  5.50   (#   1613:20  Preassigned   2.23, 2.71 A)
 &rst
  ixpk= 1613, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1302,1303,
 igr2=1299,1300,
 &end
#
#   0 AMB   20-2:1614    0 AMB   20-1:1614  2.80   (#   1614:20      Double   Ambig  )
 &rst
  ixpk= 1614, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1296,1297,1296,1297,
 igr2=1299,1300,1299,1300,
 &end
#
#  84 LYS         HE+   84 LYS         HD+  5.50   (#   1615:20  Preassigned   2.23, 2.71 A)
 &rst
  ixpk= 1615, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1302,1303,
 igr2=1299,1300,
 &end
#
# 138 TRP          HN  138 TRP         HB-  5.50   (#   1616:20  Preassigned   2.15, 2.92 A)
 &rst
  ixpk= 1616, nxpk= 20, iat=2188,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2192,2193,
 &end
#
# 138 TRP          HA  138 TRP         HB-  5.50   (#   1617:20  Preassigned   2.55, 2.83 A)
 &rst
  ixpk= 1617, nxpk= 20, iat=2190,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2192,2193,
 &end
#
#  56 HIS          HN   56 HIS         HB-  5.50   (#   1619:20  Preassigned   2.29, 3.03 A)
 &rst
  ixpk= 1619, nxpk= 20, iat= 823,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 827, 828,
 &end
#
#  56 HIS          HA   56 HIS         HB-  5.50   (#   1622:20  Preassigned   2.44, 2.77 A)
 &rst
  ixpk= 1622, nxpk= 20, iat= 825,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 827, 828,
 &end
#
#  56 HIS          HA   56 HIS         HB+  5.50   (#   1626:20  Preassigned   2.44, 2.77 A)
 &rst
  ixpk= 1626, nxpk= 20, iat= 825,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 827, 828,
 &end
#
#  87 ILE          HN   87 ILE        HG1+  5.50   (#   1627:20  Preassigned   2.01, 2.91 A)
 &rst
  ixpk= 1627, nxpk= 20, iat=1352,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1362,1363,
 &end
#
#  43 LYS         HE-    0 AMB   20-1:1628  2.80   (#   1628:20      Single   Ambig  )
 &rst
  ixpk= 1628, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 666, 667,
 igr2= 663, 664, 663, 664,
 &end
#
# 103 LEU         HB+   87 ILE        HG1+  4.00   (#   1629:20  Preassigned   2.62, 4.31 A)
 &rst
  ixpk= 1629, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1618,1619,
 igr2=1362,1363,
 &end
#
#  87 ILE          HA   87 ILE        HG1-  5.50   (#   1633:20  Preassigned   3.06, 3.50 A)
 &rst
  ixpk= 1633, nxpk= 20, iat=1354,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1362,1363,
 &end
#
#  81 THR         MG2   87 ILE        HG1-  5.50   (#   1635:20  Preassigned   2.79, 4.69 A)
 &rst
  ixpk= 1635, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1249,1250,1251,
 igr2=1362,1363,
 &end
#
#  56 HIS          HN   56 HIS         HB+  5.50   (#   1639:20  Preassigned   2.29, 3.03 A)
 &rst
  ixpk= 1639, nxpk= 20, iat= 823,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 827, 828,
 &end
#
# 141 ALA          MB  140 GLN         HB-  5.50   (#   1641:20  Preassigned   4.28, 6.22 A)
 &rst
  ixpk= 1641, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2243,2244,2245,
 igr2=2226,2227,
 &end
#
# 141 ALA          HN  140 GLN         HB-  4.00   (#   1642:20  Preassigned   2.66, 3.64 A)
 &rst
  ixpk= 1642, nxpk= 20, iat=2239,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=2226,2227,
 &end
#
# 140 GLN         HG-  140 GLN         HB-  2.80   (#   1643:20  Preassigned   2.31, 2.65 A)
 &rst
  ixpk= 1643, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2229,2230,
 igr2=2226,2227,
 &end
#
#  45 ALA          HN    0 AMB   20-1:1644  7.00   (#   1644:20      Single   Ambig  )
 &rst
  ixpk= 1644, nxpk= 20, iat= 682,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr2= 663, 664, 663, 664,
 &end
#
#  43 LYS          HN    0 AMB   20-1:1646  5.50   (#   1646:20      Single   Ambig  )
 &rst
  ixpk= 1646, nxpk= 20, iat= 653,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 663, 664, 663, 664,
 &end
#
#  43 LYS          HA    0 AMB   20-1:1647  4.00   (#   1647:20      Single   Ambig  )
 &rst
  ixpk= 1647, nxpk= 20, iat= 655,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr2= 663, 664, 663, 664,
 &end
#
#  44 GLY          HN    0 AMB   20-1:1649  4.00   (#   1649:20      Single   Ambig  )
 &rst
  ixpk= 1649, nxpk= 20, iat= 675,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr2= 663, 664, 663, 664,
 &end
#
# 116 PRO          HA  119 LYS         HD+  5.50   (#   1650:20  Preassigned   2.29, 4.44 A)
 &rst
  ixpk= 1650, nxpk= 20, iat=1823,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1882,1883,
 &end
#
# 119 LYS         HG-  119 LYS         HD+  4.00   (#   1653:20  Preassigned   2.29, 2.66 A)
 &rst
  ixpk= 1653, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1879,1880,
 igr2=1882,1883,
 &end
#
#   0 AMB   20-2:1654    0 AMB   20-1:1654  4.00   (#   1654:20      Double   Ambig  )
 &rst
  ixpk= 1654, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.59, r4= 7.34,
 igr1=1950,1951,1952,1820,1821,
 igr2=1882,1883,1882,1883,
 &end
#
# 121 ARG         HB-  121 ARG         HG+  5.50   (#   1655:20  Preassigned   2.29, 2.74 A)
 &rst
  ixpk= 1655, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1909,1910,
 igr2=1912,1913,
 &end
#
# 121 ARG         HD+  121 ARG         HG+  5.50   (#   1656:20  Preassigned   2.35, 2.70 A)
 &rst
  ixpk= 1656, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1915,1916,
 igr2=1912,1913,
 &end
#
#  17 PRO          HA   17 PRO         HB+  5.50   (#   1657:20  Preassigned   2.23, 2.59 A)
 &rst
  ixpk= 1657, nxpk= 20, iat= 262,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 259, 260,
 &end
#
#  60 LEU         MDY   17 PRO         HB+  5.50   (#   1658:20  Preassigned   2.14, 3.68 A)
 &rst
  ixpk= 1658, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 896, 897, 898, 900, 901, 902,
 igr2= 259, 260,
 &end
#
#  17 PRO         HG+   17 PRO         HB+  4.00   (#   1660:20  Preassigned   2.23, 2.60 A)
 &rst
  ixpk= 1660, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 256, 257,
 igr2= 259, 260,
 &end
#
#  17 PRO         HG+   17 PRO         HB-  5.50   (#   1661:20  Preassigned   2.23, 2.60 A)
 &rst
  ixpk= 1661, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 256, 257,
 igr2= 259, 260,
 &end
#
#  17 PRO          HA   17 PRO         HB-  5.50   (#   1662:20  Preassigned   2.23, 2.59 A)
 &rst
  ixpk= 1662, nxpk= 20, iat= 262,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 259, 260,
 &end
#
#  65 ALA          HN   64 CYS         HB+  5.50   (#   1664:20  Preassigned   2.73, 3.71 A)
 &rst
  ixpk= 1664, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 949, 950,
 &end
#
#  64 CYS          HA   64 CYS         HB+  4.00   (#   1665:20  Preassigned   2.36, 2.78 A)
 &rst
  ixpk= 1665, nxpk= 20, iat= 947,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 949, 950,
 &end
#
#  63 HIS          HA   64 CYS         HB+  7.00   (#   1667:20  Preassigned   4.21, 4.98 A)
 &rst
  ixpk= 1667, nxpk= 20, iat= 930,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 949, 950,
 &end
#
# 140 GLN          HA  140 GLN         HB-  4.00   (#   1668:20  Preassigned   2.20, 2.68 A)
 &rst
  ixpk= 1668, nxpk= 20, iat=2224,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=2226,2227,
 &end
#
# 140 GLN          HN  140 GLN         HB-  4.00   (#   1669:20  Preassigned   2.09, 2.67 A)
 &rst
  ixpk= 1669, nxpk= 20, iat=2222,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=2226,2227,
 &end
#
# 140 GLN          HA  140 GLN         HB-  4.00   (#   1670:20  Preassigned   2.20, 2.68 A)
 &rst
  ixpk= 1670, nxpk= 20, iat=2224,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=2226,2227,
 &end
#
#   5 ILE          HA    5 ILE        HG1+  5.50   (#   1672:20  Preassigned   2.41, 3.05 A)
 &rst
  ixpk= 1672, nxpk= 20, iat=  71,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  79,  80,
 &end
#
# 121 ARG         HB+  121 ARG         HG+  2.80   (#   1673:20  Preassigned   2.29, 2.74 A)
 &rst
  ixpk= 1673, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1909,1910,
 igr2=1912,1913,
 &end
#
# 121 ARG          HA  121 ARG         HG+  5.50   (#   1674:20  Preassigned   2.43, 2.95 A)
 &rst
  ixpk= 1674, nxpk= 20, iat=1907,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1912,1913,
 &end
#
#  64 CYS          HN   64 CYS         HB+  5.50   (#   1680:20  Preassigned   2.75, 3.33 A)
 &rst
  ixpk= 1680, nxpk= 20, iat= 945,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 949, 950,
 &end
#
#  64 CYS          HN   64 CYS         HB-  5.50   (#   1682:20  Preassigned   2.75, 3.33 A)
 &rst
  ixpk= 1682, nxpk= 20, iat= 945,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 949, 950,
 &end
#
#  63 HIS          HA   64 CYS         HB-  5.50   (#   1683:20  Preassigned   4.21, 4.98 A)
 &rst
  ixpk= 1683, nxpk= 20, iat= 930,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 949, 950,
 &end
#
#  64 CYS          HA   64 CYS         HB-  5.50   (#   1684:20  Preassigned   2.36, 2.78 A)
 &rst
  ixpk= 1684, nxpk= 20, iat= 947,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 949, 950,
 &end
#
#  65 ALA          HN   64 CYS         HB-  5.50   (#   1686:20  Preassigned   2.73, 3.71 A)
 &rst
  ixpk= 1686, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 949, 950,
 &end
#
#  26 TYR          HE  136 ARG         HG-  5.50   (#   1689:20  Preassigned   2.71, 5.00 A)
 &rst
  ixpk= 1689, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 418, 423,
 igr2=2154,2155,
 &end
#
#   0 AMB   20-2:1690  136 ARG         HG-  4.00   (#   1690:20      Single   Ambig  )
 &rst
  ixpk= 1690, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
 igr1=2157,2158,2157,2158,
 igr2=2154,2155,
 &end
#
# 136 ARG         HB+  136 ARG         HG-  4.00   (#   1694:20  Preassigned   2.25, 2.72 A)
 &rst
  ixpk= 1694, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=2151,2152,
 igr2=2154,2155,
 &end
#
# 136 ARG          HN  136 ARG         HG-  5.50   (#   1695:20  Preassigned   2.36, 3.93 A)
 &rst
  ixpk= 1695, nxpk= 20, iat=2147,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2154,2155,
 &end
#
# 136 ARG          HA  136 ARG         HG-  5.50   (#   1698:20  Preassigned   2.36, 3.15 A)
 &rst
  ixpk= 1698, nxpk= 20, iat=2149,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2154,2155,
 &end
#
#   5 ILE          HB    5 ILE        HG1+  5.50   (#   1702:20  Preassigned   2.36, 2.71 A)
 &rst
  ixpk= 1702, nxpk= 20, iat=  73,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  79,  80,
 &end
#
#   5 ILE          HN    5 ILE        HG1+  5.50   (#   1704:20  Preassigned   2.25, 3.45 A)
 &rst
  ixpk= 1704, nxpk= 20, iat=  69,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  79,  80,
 &end
#
#   5 ILE          HB    5 ILE        HG1+  5.50   (#   1705:20  Preassigned   2.36, 2.71 A)
 &rst
  ixpk= 1705, nxpk= 20, iat=  73,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  79,  80,
 &end
#
#   0 AMB   20-2:1706    0 AMB   20-1:1706  5.50   (#   1706:20      Double   Ambig  )
 &rst
  ixpk= 1706, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.58, r4=10.33,
 igr1=1193, 357, 358, 359, 361, 362, 363,
 igr2=  79,  80,  79,  80,
 &end
#
#  32 VAL         MGX    5 ILE        HG1+  5.50   (#   1708:20  Preassigned   3.05, 5.75 A)
 &rst
  ixpk= 1708, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 522, 523, 524, 526, 527, 528,
 igr2=  79,  80,
 &end
#
#   0 AMB   20-2:1709    0 AMB   20-1:1709  5.50   (#   1709:20      Double   Ambig  )
 &rst
  ixpk= 1709, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.58, r4=10.33,
 igr1=1193, 357, 358, 359, 361, 362, 363,
 igr2=  79,  80,  79,  80,
 &end
#
# 136 ARG          HN  136 ARG         HG+  5.50   (#   1710:20  Preassigned   2.36, 3.93 A)
 &rst
  ixpk= 1710, nxpk= 20, iat=2147,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2154,2155,
 &end
#
#   0 AMB   20-2:1711    0 AMB   20-1:1711  4.00   (#   1711:20      Double   Ambig  )
 &rst
  ixpk= 1711, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
 igr1=2157,2158,2157,2158,
 igr2=2154,2155,2154,2155,
 &end
#
# 136 ARG         HB+  136 ARG         HG+  5.50   (#   1712:20  Preassigned   2.25, 2.72 A)
 &rst
  ixpk= 1712, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2151,2152,
 igr2=2154,2155,
 &end
#
# 136 ARG         HB-  136 ARG         HG+  4.00   (#   1714:20  Preassigned   2.25, 2.72 A)
 &rst
  ixpk= 1714, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=2151,2152,
 igr2=2154,2155,
 &end
#
# 131 LEU          HA  131 LEU         MDX  5.50   (#   1717:20  Preassigned   2.10, 4.49 A)
 &rst
  ixpk= 1717, nxpk= 20, iat=2070,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2077,2078,2079,2081,2082,2083,
 &end
#
# 131 LEU          HN  131 LEU         MDX  5.50   (#   1719:20  Preassigned   1.96, 4.11 A)
 &rst
  ixpk= 1719, nxpk= 20, iat=2068,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2077,2078,2079,2081,2082,2083,
 &end
#
#  19 ALA          HN  131 LEU         MDX  5.50   (#   1720:20  Preassigned   2.91, 4.76 A)
 &rst
  ixpk= 1720, nxpk= 20, iat= 280,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2077,2078,2079,2081,2082,2083,
 &end
#
#  18 THR          HN  131 LEU         MDX  5.50   (#   1721:20  Preassigned   4.07, 5.95 A)
 &rst
  ixpk= 1721, nxpk= 20, iat= 266,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2077,2078,2079,2081,2082,2083,
 &end
#
#  18 THR          HB  131 LEU         MDX  5.50   (#   1723:20  Preassigned   2.18, 3.81 A)
 &rst
  ixpk= 1723, nxpk= 20, iat= 270,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2077,2078,2079,2081,2082,2083,
 &end
#
# 128 TYR          HA  131 LEU         MDX  5.50   (#   1724:20  Preassigned   2.43, 4.09 A)
 &rst
  ixpk= 1724, nxpk= 20, iat=2016,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2077,2078,2079,2081,2082,2083,
 &end
#
# 132 GLU         HB-  131 LEU         MDX  5.50   (#   1725:20  Preassigned   3.66, 6.85 A)
 &rst
  ixpk= 1725, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2091,2092,
 igr2=2077,2078,2079,2081,2082,2083,
 &end
#
#  18 THR         MG2  131 LEU         MDX  5.50   (#   1726:20  Preassigned   2.38, 5.00 A)
 &rst
  ixpk= 1726, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 272, 273, 274,
 igr2=2077,2078,2079,2081,2082,2083,
 &end
#
#  22 LEU         MDY  131 LEU         MDX  5.50   (#   1727:20  Preassigned   2.26, 7.21 A)
 &rst
  ixpk= 1727, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2=2077,2078,2079,2081,2082,2083,
 &end
#
# 112 GLU          HN  111 CYS         HB-  5.50   (#   1731:20  Preassigned   1.95, 3.69 A)
 &rst
  ixpk= 1731, nxpk= 20, iat=1753,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1746,1747,
 &end
#
# 111 CYS          HA  111 CYS         HB-  4.00   (#   1732:20  Preassigned   2.45, 2.78 A)
 &rst
  ixpk= 1732, nxpk= 20, iat=1744,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1746,1747,
 &end
#
# 111 CYS          HN  111 CYS         HB-  5.50   (#   1734:20  Preassigned   2.40, 2.94 A)
 &rst
  ixpk= 1734, nxpk= 20, iat=1742,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1746,1747,
 &end
#
# 108 ASP         HB+  111 CYS         HB-  5.50   (#   1735:20  Preassigned   2.53, 4.83 A)
 &rst
  ixpk= 1735, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1705,1706,
 igr2=1746,1747,
 &end
#
#   0 AMB   20-2:1737   73 CYS         HB-  7.00   (#   1737:20      Single   Ambig  )
 &rst
  ixpk= 1737, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1=1044,1045,1122,1123,
 igr2=1108,1109,
 &end
#
# 112 GLU          HN  111 CYS         HB+  5.50   (#   1741:20  Preassigned   1.95, 3.69 A)
 &rst
  ixpk= 1741, nxpk= 20, iat=1753,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1746,1747,
 &end
#
# 111 CYS          HA  111 CYS         HB+  5.50   (#   1742:20  Preassigned   2.45, 2.78 A)
 &rst
  ixpk= 1742, nxpk= 20, iat=1744,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1746,1747,
 &end
#
# 111 CYS          HN  111 CYS         HB+  5.50   (#   1745:20  Preassigned   2.40, 2.94 A)
 &rst
  ixpk= 1745, nxpk= 20, iat=1742,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1746,1747,
 &end
#
# 108 ASP         HB+  111 CYS         HB+  5.50   (#   1746:20  Preassigned   2.53, 4.83 A)
 &rst
  ixpk= 1746, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1705,1706,
 igr2=1746,1747,
 &end
#
#  47 PRO         HD+   47 PRO         HG+  4.00   (#   1750:20  Preassigned   2.33, 2.61 A)
 &rst
  ixpk= 1750, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 705, 706,
 igr2= 708, 709,
 &end
#
#  47 PRO         HB+   47 PRO         HG+  4.00   (#   1751:20  Preassigned   2.38, 2.63 A)
 &rst
  ixpk= 1751, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 711, 712,
 igr2= 708, 709,
 &end
#
#  96 GLU          HA   96 GLU         HB-  5.50   (#   1752:20  Preassigned   2.38, 2.54 A)
 &rst
  ixpk= 1752, nxpk= 20, iat=1498,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1500,1501,
 &end
#
#  96 GLU          HN   96 GLU         HB-  5.50   (#   1753:20  Preassigned   2.45, 3.05 A)
 &rst
  ixpk= 1753, nxpk= 20, iat=1496,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1500,1501,
 &end
#
#  96 GLU          HA   96 GLU         HB-  5.50   (#   1754:20  Preassigned   2.38, 2.54 A)
 &rst
  ixpk= 1754, nxpk= 20, iat=1498,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1500,1501,
 &end
#
#  37 LEU         MDX   90 LEU          HG  5.50   (#   1756:20  Preassigned   2.29, 5.26 A)
 &rst
  ixpk= 1756, nxpk= 20, iat=  -1,1417, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 584, 585, 586, 588, 589, 590,
 &end
#
#  40 LEU          HA   40 LEU          HG  4.00   (#   1757:20  Preassigned   2.46, 2.98 A)
 &rst
  ixpk= 1757, nxpk= 20, iat= 613, 618, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  40 LEU         HB-   40 LEU          HG  2.80   (#   1758:20  Preassigned   2.45, 2.77 A)
 &rst
  ixpk= 1758, nxpk= 20, iat=  -1, 618, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 615, 616,
 &end
#
#   0 AMB   20-2:1759   40 LEU          HG  4.00   (#   1759:20      Single   Ambig  )
 &rst
  ixpk= 1759, nxpk= 20, iat=  -1, 618, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 620, 621, 622, 624, 625, 626, 620, 621, 622, 624,
       625, 626,
 &end
#
# 136 ARG          HA  136 ARG         HG-  5.50   (#   1760:20  Preassigned   2.36, 3.15 A)
 &rst
  ixpk= 1760, nxpk= 20, iat=2149,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2154,2155,
 &end
#
#  60 LEU          HA   60 LEU          HG  5.50   (#   1761:20  Preassigned   3.23, 3.45 A)
 &rst
  ixpk= 1761, nxpk= 20, iat= 889, 894, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   20-2:1762   60 LEU          HG  4.00   (#   1762:20      Single   Ambig  )
 &rst
  ixpk= 1762, nxpk= 20, iat=  -1, 894, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
       901, 902,
 &end
#
#   0 AMB   20-2:1763   60 LEU          HG  4.00   (#   1763:20      Single   Ambig  )
 &rst
  ixpk= 1763, nxpk= 20, iat=  -1, 894, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
       901, 902,
 &end
#
#  60 LEU          HA   60 LEU          HG  5.50   (#   1764:20  Preassigned   3.23, 3.45 A)
 &rst
  ixpk= 1764, nxpk= 20, iat= 889, 894, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  17 PRO         HD-   17 PRO         HG-  5.50   (#   1767:20  Preassigned   2.23, 2.59 A)
 &rst
  ixpk= 1767, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 253, 254,
 igr2= 256, 257,
 &end
#
#  17 PRO         HD+   17 PRO         HG-  5.50   (#   1769:20  Preassigned   2.23, 2.59 A)
 &rst
  ixpk= 1769, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 253, 254,
 igr2= 256, 257,
 &end
#
#  79 ILE         QD1   73 CYS         HB-  5.50   (#   1770:20  Preassigned   3.56, 5.83 A)
 &rst
  ixpk= 1770, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1218,1219,1220,
 igr2=1108,1109,
 &end
#
#  73 CYS          HN   73 CYS         HB-  5.50   (#   1771:20  Preassigned   2.31, 3.07 A)
 &rst
  ixpk= 1771, nxpk= 20, iat=1104,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1108,1109,
 &end
#
#  73 CYS          HN   73 CYS         HB+  5.50   (#   1775:20  Preassigned   2.31, 3.07 A)
 &rst
  ixpk= 1775, nxpk= 20, iat=1104,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1108,1109,
 &end
#
#  79 ILE         QD1   73 CYS         HB+  5.50   (#   1777:20  Preassigned   3.56, 5.83 A)
 &rst
  ixpk= 1777, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1218,1219,1220,
 igr2=1108,1109,
 &end
#
#  96 GLU          HN   96 GLU         HB-  5.50   (#   1778:20  Preassigned   2.45, 3.05 A)
 &rst
  ixpk= 1778, nxpk= 20, iat=1496,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1500,1501,
 &end
#
#  47 PRO          HA   47 PRO         HG-  5.50   (#   1779:20      Unique   2.76, 3.47 A)
 &rst
  ixpk= 1779, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 708, 709,
 &end
#
#  96 GLU          HN    0 AMB   20-1:1780  5.50   (#   1780:20      Single   Ambig  )
 &rst
  ixpk= 1780, nxpk= 20, iat=1496,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1500,1501,1486,1487,
 &end
#
#  96 GLU          HA   96 GLU         HB+  4.00   (#   1782:20  Preassigned   2.38, 2.54 A)
 &rst
  ixpk= 1782, nxpk= 20, iat=1498,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1500,1501,
 &end
#
#  95 PRO         HD-   95 PRO         HG+  4.00   (#   1783:20      Unique   2.32, 2.61 A)
 &rst
  ixpk= 1783, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1483,1484,
 igr2=1486,1487,
 &end
#
#  96 GLU          HN    0 AMB   20-1:1784  5.50   (#   1784:20      Single   Ambig  )
 &rst
  ixpk= 1784, nxpk= 20, iat=1496,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1500,1501,1486,1487,
 &end
#
# 119 LYS          HN    0 AMB   20-1:1790  5.50   (#   1790:20      Single   Ambig  )
 &rst
  ixpk= 1790, nxpk= 20, iat=1872,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1852,1853,1852,1853,
 &end
#
#  98 ARG          HN   98 ARG         HG-  5.50   (#   1792:20  Preassigned   2.25, 3.65 A)
 &rst
  ixpk= 1792, nxpk= 20, iat=1528,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1535,1536,
 &end
#
#  98 ARG         HD+   98 ARG         HG+  5.50   (#   1793:20  Preassigned   2.35, 2.71 A)
 &rst
  ixpk= 1793, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1538,1539,
 igr2=1535,1536,
 &end
#
#  98 ARG         HD+   98 ARG         HG+  5.50   (#   1794:20  Preassigned   2.35, 2.71 A)
 &rst
  ixpk= 1794, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1538,1539,
 igr2=1535,1536,
 &end
#
#  40 LEU          HN   40 LEU          HG  4.00   (#   1795:20  Preassigned   2.43, 2.94 A)
 &rst
  ixpk= 1795, nxpk= 20, iat= 611, 618, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  84 LYS          HN    0 AMB   20-1:1796  5.50   (#   1796:20      Single   Ambig  )
 &rst
  ixpk= 1796, nxpk= 20, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1296,1297,1296,1297,
 &end
#
#  84 LYS          HA    0 AMB   20-1:1797  5.50   (#   1797:20      Single   Ambig  )
 &rst
  ixpk= 1797, nxpk= 20, iat=1291,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1296,1297,1296,1297,
 &end
#
#   0 AMB   20-2:1798    0 AMB   20-1:1798  5.50   (#   1798:20      Double   Ambig  )
 &rst
  ixpk= 1798, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1302,1303,1302,1303,
 igr2=1296,1297,1296,1297,
 &end
#
#  37 LEU         MDX   37 LEU          HG  5.50   (#   1799:20  Preassigned   2.37, 2.66 A)
 &rst
  ixpk= 1799, nxpk= 20, iat=  -1, 582, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 584, 585, 586, 588, 589, 590,
 &end
#
#  73 CYS          HA   73 CYS         HB-  5.50   (#   1802:20  Preassigned   2.43, 2.77 A)
 &rst
  ixpk= 1802, nxpk= 20, iat=1106,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1108,1109,
 &end
#
#  94 ALA          MB   73 CYS         HB-  5.50   (#   1803:20  Preassigned   2.46, 3.56 A)
 &rst
  ixpk= 1803, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1476,1477,1478,
 igr2=1108,1109,
 &end
#
#  73 CYS          HA   73 CYS         HB+  5.50   (#   1804:20  Preassigned   2.43, 2.77 A)
 &rst
  ixpk= 1804, nxpk= 20, iat=1106,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1108,1109,
 &end
#
# 142 LEU          HN  142 LEU          HG  5.50   (#   1805:20  Preassigned   2.30, 2.48 A)
 &rst
  ixpk= 1805, nxpk= 20, iat=2249,2256, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 141 ALA          HN  142 LEU          HG  5.50   (#   1806:20  Preassigned   4.57, 4.75 A)
 &rst
  ixpk= 1806, nxpk= 20, iat=2239,2256, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 142 LEU         HB-  142 LEU          HG  5.50   (#   1807:20  Preassigned   2.47, 2.79 A)
 &rst
  ixpk= 1807, nxpk= 20, iat=  -1,2256, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2253,2254,
 &end
#
# 142 LEU         MDY  142 LEU          HG  5.50   (#   1808:20  Preassigned   2.41, 2.66 A)
 &rst
  ixpk= 1808, nxpk= 20, iat=  -1,2256, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2258,2259,2260,2262,2263,2264,
 &end
#
# 142 LEU         MDY  142 LEU          HG  5.50   (#   1809:20  Preassigned   2.41, 2.66 A)
 &rst
  ixpk= 1809, nxpk= 20, iat=  -1,2256, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2258,2259,2260,2262,2263,2264,
 &end
#
# 142 LEU         MDX  142 LEU          HG  4.00   (#   1810:20  Preassigned   2.41, 2.66 A)
 &rst
  ixpk= 1810, nxpk= 20, iat=  -1,2256, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=2258,2259,2260,2262,2263,2264,
 &end
#
# 142 LEU          HA  142 LEU          HG  5.50   (#   1811:20  Preassigned   2.83, 2.97 A)
 &rst
  ixpk= 1811, nxpk= 20, iat=2251,2256, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  95 PRO         HD+   95 PRO         HG-  5.50   (#   1813:20  Preassigned   2.32, 2.61 A)
 &rst
  ixpk= 1813, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1483,1484,
 igr2=1486,1487,
 &end
#
#  95 PRO          HA   95 PRO         HG-  5.50   (#   1814:20      Unique   2.81, 3.87 A)
 &rst
  ixpk= 1814, nxpk= 20, iat=1492,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1486,1487,
 &end
#
#   0 AMB   20-2:1815    0 AMB   20-1:1815  7.00   (#   1815:20      Double   Ambig  )
 &rst
  ixpk= 1815, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
 igr1=1855,1856,1855,1856,
 igr2=1852,1853,1852,1853,
 &end
#
# 118 ARG          HA    0 AMB   20-1:1817  5.50   (#   1817:20      Single   Ambig  )
 &rst
  ixpk= 1817, nxpk= 20, iat=1850,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1852,1853,1852,1853,
 &end
#
#   0 AMB   20-2:1819    0 AMB   20-1:1819  5.50   (#   1819:20      Double   Ambig  )
 &rst
  ixpk= 1819, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1855,1856,1855,1856,
 igr2=1852,1853,1852,1853,
 &end
#
#  21 ARG          HE   21 ARG         HG-  7.00   (#   1820:20  Preassigned   2.24, 3.36 A)
 &rst
  ixpk= 1820, nxpk= 20, iat= 318,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 312, 313,
 &end
#
# 118 ARG          HA    0 AMB   20-1:1822  5.50   (#   1822:20      Single   Ambig  )
 &rst
  ixpk= 1822, nxpk= 20, iat=1850,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1852,1853,1852,1853,
 &end
#
#  21 ARG          HN   21 ARG         HG-  5.50   (#   1823:20  Preassigned   2.14, 3.07 A)
 &rst
  ixpk= 1823, nxpk= 20, iat= 305,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 312, 313,
 &end
#
#   0 AMB   20-2:1825    0 AMB   20-1:1825  4.00   (#   1825:20      Double   Ambig  )
 &rst
  ixpk= 1825, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.63, r4= 8.38,
 igr1=2058,2059,2060,2062,2063,2064, 866, 867, 868, 870,
       871, 872,
 igr2=1778,1779, 312, 313,
 &end
#
#  98 ARG         HD+   98 ARG         HG-  5.50   (#   1827:20  Preassigned   2.35, 2.71 A)
 &rst
  ixpk= 1827, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1538,1539,
 igr2=1535,1536,
 &end
#
#  98 ARG         HD+   98 ARG         HG-  5.50   (#   1828:20  Preassigned   2.35, 2.71 A)
 &rst
  ixpk= 1828, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1538,1539,
 igr2=1535,1536,
 &end
#
#  98 ARG         HD-   98 ARG         HG-  4.00   (#   1829:20  Preassigned   2.35, 2.71 A)
 &rst
  ixpk= 1829, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1538,1539,
 igr2=1535,1536,
 &end
#
#  98 ARG         HD-   98 ARG         HG-  2.80   (#   1830:20  Preassigned   2.35, 2.71 A)
 &rst
  ixpk= 1830, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1538,1539,
 igr2=1535,1536,
 &end
#
#  76 TYR          HE   72 LEU          HG  5.50   (#   1833:20  Preassigned   2.22, 5.71 A)
 &rst
  ixpk= 1833, nxpk= 20, iat=  -1,1092, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1163,1168,
 &end
#
#  73 CYS         HB-   70 ARG         HG+  4.00   (#   1834:20  Preassigned   2.64, 4.56 A)
 &rst
  ixpk= 1834, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1108,1109,
 igr2=1044,1045,
 &end
#
# 114 PRO          HA  114 PRO         HG-  4.00   (#   1835:20      Unique   2.86, 3.50 A)
 &rst
  ixpk= 1835, nxpk= 20, iat=1797,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1791,1792,
 &end
#
#  74 ARG          HE   70 ARG         HG+  5.50   (#   1836:20  Preassigned   2.67, 4.45 A)
 &rst
  ixpk= 1836, nxpk= 20, iat=1128,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1044,1045,
 &end
#
#  74 ARG          HN   70 ARG         HG+  5.50   (#   1837:20  Preassigned   3.95, 4.89 A)
 &rst
  ixpk= 1837, nxpk= 20, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1044,1045,
 &end
#
#   0 AMB   20-2:1838    0 AMB   20-1:1838  4.00   (#   1838:20      Double   Ambig  )
 &rst
  ixpk= 1838, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
 igr1=1538,1539,1108,1109,
 igr2=1535,1536,1044,1045,
 &end
#
#   0 AMB   20-2:1839    0 AMB   20-1:1839  5.50   (#   1839:20      Double   Ambig  )
 &rst
  ixpk= 1839, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1498,1554,1555,
 igr2=1535,1536,1535,1536,
 &end
#
#   0 AMB   20-2:1840    0 AMB   20-1:1840  4.00   (#   1840:20      Double   Ambig  )
 &rst
  ixpk= 1840, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1498,1554,1555,
 igr2=1535,1536,1535,1536,
 &end
#
# 130 LEU          HA  133 ARG         HG+  5.50   (#   1841:20      Unique   2.28, 5.03 A)
 &rst
  ixpk= 1841, nxpk= 20, iat=2051,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2109,2110,
 &end
#
#  71 ARG         HD+   71 ARG         HG+  2.80   (#   1844:20      Unique   2.40, 2.71 A)
 &rst
  ixpk= 1844, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1071,1072,
 igr2=1068,1069,
 &end
#
#  71 ARG          HA   71 ARG         HG+  4.00   (#   1845:20  Preassigned   2.47, 3.16 A)
 &rst
  ixpk= 1845, nxpk= 20, iat=1063,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1068,1069,
 &end
#
#  70 ARG         HD+   70 ARG         HG-  7.00   (#   1848:20  Preassigned   2.34, 2.67 A)
 &rst
  ixpk= 1848, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1047,1048,
 igr2=1044,1045,
 &end
#
#  70 ARG         HD+   70 ARG         HG-  5.50   (#   1849:20  Preassigned   2.34, 2.67 A)
 &rst
  ixpk= 1849, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1047,1048,
 igr2=1044,1045,
 &end
#
#  84 LYS          HA   84 LYS         HG-  5.50   (#   1850:20  Preassigned   2.42, 3.31 A)
 &rst
  ixpk= 1850, nxpk= 20, iat=1291,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1296,1297,
 &end
#
#   0 AMB   20-2:1851    0 AMB   20-1:1851  5.50   (#   1851:20      Double   Ambig  )
 &rst
  ixpk= 1851, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1302,1303,1302,1303,
 igr2=1296,1297,1296,1297,
 &end
#
#   0 AMB   20-2:1852    0 AMB   20-1:1852  5.50   (#   1852:20      Double   Ambig  )
 &rst
  ixpk= 1852, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1760,1761,1760,1761,
 igr2=1296,1297,1296,1297,
 &end
#
#  79 ILE          HA   79 ILE        HG1+  5.50   (#   1853:20  Preassigned   2.53, 3.40 A)
 &rst
  ixpk= 1853, nxpk= 20, iat=1207,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1215,1216,
 &end
#
# 103 LEU         MDY    0 AMB   20-1:1854  5.50   (#   1854:20      Single   Ambig  )
 &rst
  ixpk= 1854, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1623,1624,1625,1627,1628,1629,
 igr2=1296,1297,1296,1297,
 &end
#
#  84 LYS          HN    0 AMB   20-1:1855  5.50   (#   1855:20      Single   Ambig  )
 &rst
  ixpk= 1855, nxpk= 20, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1296,1297,1296,1297,
 &end
#
#  78 LEU          HA   79 ILE        HG1+  5.50   (#   1857:20  Preassigned   3.16, 4.76 A)
 &rst
  ixpk= 1857, nxpk= 20, iat=1188,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1215,1216,
 &end
#
#  37 LEU          HN   37 LEU          HG  5.50   (#   1858:20  Preassigned   3.81, 4.32 A)
 &rst
  ixpk= 1858, nxpk= 20, iat= 575, 582, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   20-2:1859   37 LEU          HG  2.80   (#   1859:20      Single   Ambig  )
 &rst
  ixpk= 1859, nxpk= 20, iat=  -1, 582, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 584, 585, 586, 588, 589, 590,1419,1420,1421,1423,
      1424,1425,
 &end
#
#   0 AMB   20-2:1861    0 AMB   20-1:1861  4.00   (#   1861:20      Double   Ambig  )
 &rst
  ixpk= 1861, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
 igr1=1431,1373,
 igr2=1433,1434,1433,1434,
 &end
#
#  91 CYS          HN   91 CYS         HB+  5.50   (#   1862:20  Preassigned   2.48, 2.92 A)
 &rst
  ixpk= 1862, nxpk= 20, iat=1429,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1433,1434,
 &end
#
#  92 GLU          HN   91 CYS         HB+  5.50   (#   1864:20  Preassigned   2.49, 3.41 A)
 &rst
  ixpk= 1864, nxpk= 20, iat=1440,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1433,1434,
 &end
#
#  91 CYS          HN   91 CYS         HB-  5.50   (#   1865:20  Preassigned   2.48, 2.92 A)
 &rst
  ixpk= 1865, nxpk= 20, iat=1429,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1433,1434,
 &end
#
#   0 AMB   20-2:1868   91 CYS         HB-  5.50   (#   1868:20      Single   Ambig  )
 &rst
  ixpk= 1868, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1431,1373,
 igr2=1433,1434,
 &end
#
#  69 SER          HN   72 LEU          HG  7.00   (#   1869:20  Preassigned   3.25, 4.30 A)
 &rst
  ixpk= 1869, nxpk= 20, iat=1026,1092, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  76 TYR          HE   72 LEU          HG  5.50   (#   1870:20  Preassigned   2.22, 5.71 A)
 &rst
  ixpk= 1870, nxpk= 20, iat=  -1,1092, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1163,1168,
 &end
#
#  72 LEU          HN   72 LEU          HG  4.00   (#   1873:20  Preassigned   2.47, 3.30 A)
 &rst
  ixpk= 1873, nxpk= 20, iat=1085,1092, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  72 LEU         MDX   72 LEU          HG  4.00   (#   1874:20  Preassigned   2.42, 2.66 A)
 &rst
  ixpk= 1874, nxpk= 20, iat=  -1,1092, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#   0 AMB   20-2:1875   72 LEU          HG  5.50   (#   1875:20      Single   Ambig  )
 &rst
  ixpk= 1875, nxpk= 20, iat=  -1,1092, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1063,1106,
 &end
#
# 129 THR          HA  133 ARG         HG+  5.50   (#   1878:20  Preassigned   4.48, 7.10 A)
 &rst
  ixpk= 1878, nxpk= 20, iat=2037,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2109,2110,
 &end
#
#  70 ARG          HA   70 ARG         HG-  5.50   (#   1879:20  Preassigned   2.31, 2.78 A)
 &rst
  ixpk= 1879, nxpk= 20, iat=1039,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1044,1045,
 &end
#
#  86 HIS          HN   85 ARG         HG-  7.00   (#   1880:20  Preassigned   2.55, 4.14 A)
 &rst
  ixpk= 1880, nxpk= 20, iat=1335,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1318,1319,
 &end
#
#   0 AMB   20-2:1883   37 LEU          HG  2.80   (#   1883:20      Single   Ambig  )
 &rst
  ixpk= 1883, nxpk= 20, iat=  -1, 582, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1419,1420,1421,1423,1424,1425, 129, 130, 131, 133,
       134, 135,
 &end
#
#  22 LEU          HN   58 LEU         MDX  5.50   (#   1884:20  Preassigned   2.86, 4.94 A)
 &rst
  ixpk= 1884, nxpk= 20, iat= 329,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
# 128 TYR          HE   58 LEU         MDX  5.50   (#   1885:20  Preassigned   2.34, 6.44 A)
 &rst
  ixpk= 1885, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2024,2029,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#  22 LEU          HA   58 LEU         MDX  5.50   (#   1886:20      Unique   2.21, 4.69 A)
 &rst
  ixpk= 1886, nxpk= 20, iat= 331,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#  18 THR          HA   58 LEU         MDX  5.50   (#   1887:20  Preassigned   2.21, 5.12 A)
 &rst
  ixpk= 1887, nxpk= 20, iat= 268,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#  58 LEU         HB-   58 LEU         MDX  4.00   (#   1888:20      Unique   2.35, 3.38 A)
 &rst
  ixpk= 1888, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 861, 862,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#  53 ALA          HA   58 LEU         MDX  5.50   (#   1889:20  Preassigned   2.54, 6.08 A)
 &rst
  ixpk= 1889, nxpk= 20, iat= 790,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#  60 LEU         MDY   58 LEU         MDX  5.50   (#   1891:20  Preassigned   2.16, 6.91 A)
 &rst
  ixpk= 1891, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 896, 897, 898, 900, 901, 902,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#  22 LEU         MDY   58 LEU         MDX  5.50   (#   1892:20  Preassigned   2.26, 5.74 A)
 &rst
  ixpk= 1892, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#  79 ILE          HA   79 ILE        HG1-  5.50   (#   1893:20  Preassigned   2.53, 3.40 A)
 &rst
  ixpk= 1893, nxpk= 20, iat=1207,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1215,1216,
 &end
#
#   6 LEU         MDX   79 ILE        HG1-  6.00   (#   1894:20  Preassigned   2.19, 5.92 A)
 &rst
  ixpk= 1894, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2=1215,1216,
 &end
#
#   6 LEU         MDY   79 ILE        HG1-  5.50   (#   1896:20  Preassigned   2.19, 5.92 A)
 &rst
  ixpk= 1896, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2=1215,1216,
 &end
#
#  78 LEU         MDY   78 LEU          HG  4.00   (#   1897:20  Preassigned   2.34, 2.65 A)
 &rst
  ixpk= 1897, nxpk= 20, iat=  -1,1193, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1195,1196,1197,1199,1200,1201,
 &end
#
#  80 LEU         MDY   78 LEU          HG  5.50   (#   1898:20  Preassigned   2.28, 4.64 A)
 &rst
  ixpk= 1898, nxpk= 20, iat=  -1,1193, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1233,1234,1235,1237,1238,1239,
 &end
#
#  78 LEU         MDX   78 LEU          HG  4.00   (#   1899:20  Preassigned   2.34, 2.65 A)
 &rst
  ixpk= 1899, nxpk= 20, iat=  -1,1193, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1195,1196,1197,1199,1200,1201,
 &end
#
#  78 LEU         MDY   78 LEU          HG  4.00   (#   1900:20  Preassigned   2.34, 2.65 A)
 &rst
  ixpk= 1900, nxpk= 20, iat=  -1,1193, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1195,1196,1197,1199,1200,1201,
 &end
#
#   0 AMB   20-2:1901    0 AMB   20-1:1901  7.00   (#   1901:20      Double   Ambig  )
 &rst
  ixpk= 1901, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
 igr1=1339,1340,1850,
 igr2=1419,1420,1421,1423,1424,1425,1855,1856,
 &end
#
# 130 LEU          HN  130 LEU          HG  5.50   (#   1902:20  Preassigned   4.11, 4.31 A)
 &rst
  ixpk= 1902, nxpk= 20, iat=2049,2056, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 130 LEU         MDY  130 LEU          HG  2.80   (#   1903:20  Preassigned   2.39, 2.67 A)
 &rst
  ixpk= 1903, nxpk= 20, iat=  -1,2056, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2058,2059,2060,2062,2063,2064,
 &end
#
# 114 PRO          HA  114 PRO         HG+  7.00   (#   1904:20      Unique   2.86, 3.50 A)
 &rst
  ixpk= 1904, nxpk= 20, iat=1797,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1791,1792,
 &end
#
#   0 AMB   20-2:1905    0 AMB   20-1:1905  5.50   (#   1905:20      Double   Ambig  )
 &rst
  ixpk= 1905, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1396,1397,1399,
 igr2=1393,1394,1393,1394,
 &end
#
#  89 ARG          HN   89 ARG         HG+  5.50   (#   1906:20  Preassigned   2.42, 3.47 A)
 &rst
  ixpk= 1906, nxpk= 20, iat=1386,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1393,1394,
 &end
#
#  89 ARG         HD-   89 ARG         HG-  5.50   (#   1907:20  Preassigned   2.29, 2.68 A)
 &rst
  ixpk= 1907, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1396,1397,
 igr2=1393,1394,
 &end
#
#  89 ARG          HA   89 ARG         HG-  2.80   (#   1908:20  Preassigned   2.26, 3.01 A)
 &rst
  ixpk= 1908, nxpk= 20, iat=1388,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1393,1394,
 &end
#
#  89 ARG          HN   89 ARG         HG-  4.00   (#   1909:20  Preassigned   2.42, 3.47 A)
 &rst
  ixpk= 1909, nxpk= 20, iat=1386,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1393,1394,
 &end
#
#   0 AMB   20-2:1910    0 AMB   20-1:1910  5.50   (#   1910:20      Double   Ambig  )
 &rst
  ixpk= 1910, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1788,1789,1960,
 igr2=1791,1792,1817,1818,
 &end
#
#  58 LEU         MDY   22 LEU          HG  4.00   (#   1911:20  Preassigned   2.21, 4.28 A)
 &rst
  ixpk= 1911, nxpk= 20, iat=  -1, 336, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
#  58 LEU         MDY   22 LEU          HG  4.00   (#   1913:20  Preassigned   2.21, 4.28 A)
 &rst
  ixpk= 1913, nxpk= 20, iat=  -1, 336, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
#   0 AMB   20-2:1915   58 LEU         MDX  2.80   (#   1915:20      Single   Ambig  )
 &rst
  ixpk= 1915, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 336, 792, 793, 794,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#  58 LEU          HA   58 LEU         MDX  5.50   (#   1916:20  Preassigned   2.19, 3.77 A)
 &rst
  ixpk= 1916, nxpk= 20, iat= 859,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#  80 LEU          HN   80 LEU          HG  5.50   (#   1917:20  Preassigned   2.40, 3.71 A)
 &rst
  ixpk= 1917, nxpk= 20, iat=1224,1231, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 118 ARG          HN  118 ARG         HG-  7.00   (#   1921:20  Preassigned   2.48, 3.88 A)
 &rst
  ixpk= 1921, nxpk= 20, iat=1848,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1855,1856,
 &end
#
#   0 AMB   20-2:1922  118 ARG         HG-  4.00   (#   1922:20      Single   Ambig  )
 &rst
  ixpk= 1922, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
 igr1=1858,1859,1858,1859,
 igr2=1855,1856,
 &end
#
# 118 ARG          HA  118 ARG         HG-  5.50   (#   1923:20  Preassigned   2.46, 3.14 A)
 &rst
  ixpk= 1923, nxpk= 20, iat=1850,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1855,1856,
 &end
#
#   0 AMB   20-2:1924  118 ARG         HG-  5.50   (#   1924:20      Single   Ambig  )
 &rst
  ixpk= 1924, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1852,1853,1852,1853,
 igr2=1855,1856,
 &end
#
# 118 ARG          HN  118 ARG         HG-  7.00   (#   1925:20  Preassigned   2.48, 3.88 A)
 &rst
  ixpk= 1925, nxpk= 20, iat=1848,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1855,1856,
 &end
#
#   0 AMB   20-2:1926   90 LEU         MDX  7.00   (#   1926:20      Single   Ambig  )
 &rst
  ixpk= 1926, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1245,1226,
 igr2=1419,1420,1421,1423,1424,1425,
 &end
#
#   0 AMB   20-2:1928    0 AMB   20-1:1928  4.00   (#   1928:20      Double   Ambig  )
 &rst
  ixpk= 1928, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
 igr1=1852,1853,1852,1853,
 igr2=1855,1856,1855,1856,
 &end
#
#   0 AMB   20-2:1929    0 AMB   20-1:1929  4.00   (#   1929:20      Double   Ambig  )
 &rst
  ixpk= 1929, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
 igr1=1858,1859,1858,1859,
 igr2=1855,1856,1855,1856,
 &end
#
# 114 PRO         HD+  130 LEU          HG  4.00   (#   1931:20  Preassigned   2.82, 4.40 A)
 &rst
  ixpk= 1931, nxpk= 20, iat=  -1,2056, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1788,1789,
 &end
#
# 130 LEU         MDY  130 LEU          HG  4.00   (#   1932:20  Preassigned   2.39, 2.67 A)
 &rst
  ixpk= 1932, nxpk= 20, iat=  -1,2056, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=2058,2059,2060,2062,2063,2064,
 &end
#
# 103 LEU         MDX    0 AMB   20-1:1933  4.00   (#   1933:20      Single   Ambig  )
 &rst
  ixpk= 1933, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
 igr1=1623,1624,1625,1627,1628,1629,
 igr2=1731,1732,1731,1732,
 &end
#
# 110 GLU          HA    0 AMB   20-1:1936  5.50   (#   1936:20      Single   Ambig  )
 &rst
  ixpk= 1936, nxpk= 20, iat=1729,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1731,1732,1731,1732,
 &end
#
# 103 LEU         MDX    0 AMB   20-1:1937  5.50   (#   1937:20      Single   Ambig  )
 &rst
  ixpk= 1937, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1623,1624,1625,1627,1628,1629,
 igr2=1731,1732,1731,1732,
 &end
#
#   0 AMB   20-2:1940   89 ARG         HG-  5.50   (#   1940:20      Single   Ambig  )
 &rst
  ixpk= 1940, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1396,1397,1399,
 igr2=1393,1394,
 &end
#
#  89 ARG         HD-   89 ARG         HG-  4.00   (#   1941:20  Preassigned   2.29, 2.68 A)
 &rst
  ixpk= 1941, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1396,1397,
 igr2=1393,1394,
 &end
#
#  22 LEU         MDY   22 LEU          HG  7.00   (#   1944:20  Preassigned   2.39, 2.66 A)
 &rst
  ixpk= 1944, nxpk= 20, iat=  -1, 336, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#  85 ARG         HB+   85 ARG         HG-  5.50   (#   1948:20  Preassigned   2.37, 2.74 A)
 &rst
  ixpk= 1948, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1315,1316,
 igr2=1318,1319,
 &end
#
#  80 LEU         MDY   80 LEU          HG  4.00   (#   1949:20  Preassigned   2.39, 2.65 A)
 &rst
  ixpk= 1949, nxpk= 20, iat=  -1,1231, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1233,1234,1235,1237,1238,1239,
 &end
#
#  86 HIS          HA   90 LEU         MDX  5.50   (#   1954:20  Preassigned   2.84, 6.20 A)
 &rst
  ixpk= 1954, nxpk= 20, iat=1337,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1419,1420,1421,1423,1424,1425,
 &end
#
#  87 ILE          HA   90 LEU         MDX  5.50   (#   1956:20  Preassigned   3.66, 6.06 A)
 &rst
  ixpk= 1956, nxpk= 20, iat=1354,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1419,1420,1421,1423,1424,1425,
 &end
#
#  90 LEU          HN   90 LEU         MDX  5.50   (#   1959:20  Preassigned   2.63, 4.87 A)
 &rst
  ixpk= 1959, nxpk= 20, iat=1410,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1419,1420,1421,1423,1424,1425,
 &end
#
#  81 THR          HB   90 LEU         MDX  5.50   (#   1960:20  Preassigned   2.95, 5.42 A)
 &rst
  ixpk= 1960, nxpk= 20, iat=1247,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1419,1420,1421,1423,1424,1425,
 &end
#
#  90 LEU          HA   90 LEU         MDX  5.50   (#   1961:20      Unique   2.20, 3.91 A)
 &rst
  ixpk= 1961, nxpk= 20, iat=1412,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1419,1420,1421,1423,1424,1425,
 &end
#
#   0 AMB   20-2:1962   90 LEU         MDX  5.50   (#   1962:20      Single   Ambig  )
 &rst
  ixpk= 1962, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1414,1415,1515,1516,
 igr2=1419,1420,1421,1423,1424,1425,
 &end
#
# 131 LEU          HN  130 LEU          HG  5.50   (#   1963:20      Unique   2.84, 3.54 A)
 &rst
  ixpk= 1963, nxpk= 20, iat=2068,2056, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 131 LEU         MDX  130 LEU          HG  4.00   (#   1964:20  Preassigned   3.94, 6.30 A)
 &rst
  ixpk= 1964, nxpk= 20, iat=  -1,2056, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=2077,2078,2079,2081,2082,2083,
 &end
#
# 103 LEU         MDX  103 LEU          HG  5.50   (#   1965:20  Preassigned   2.31, 2.66 A)
 &rst
  ixpk= 1965, nxpk= 20, iat=  -1,1621, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
#   0 AMB   20-2:1967   25 ARG         HG-  2.80   (#   1967:20      Single   Ambig  )
 &rst
  ixpk= 1967, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 388, 389, 388, 389,
 igr2= 391, 392,
 &end
#
# 114 PRO         HG-  130 LEU         MDX  5.50   (#   1968:20  Preassigned   3.64, 6.16 A)
 &rst
  ixpk= 1968, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1791,1792,
 igr2=2058,2059,2060,2062,2063,2064,
 &end
#
# 114 PRO         HD-  130 LEU         MDX  5.50   (#   1970:20  Preassigned   2.18, 4.58 A)
 &rst
  ixpk= 1970, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1788,1789,
 igr2=2058,2059,2060,2062,2063,2064,
 &end
#
# 127 VAL          HA  130 LEU         MDX  5.50   (#   1971:20  Preassigned   2.69, 5.16 A)
 &rst
  ixpk= 1971, nxpk= 20, iat=2000,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2058,2059,2060,2062,2063,2064,
 &end
#
# 130 LEU         HB+  130 LEU         MDX  5.50   (#   1972:20  Preassigned   2.36, 3.36 A)
 &rst
  ixpk= 1972, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2053,2054,
 igr2=2058,2059,2060,2062,2063,2064,
 &end
#
# 142 LEU          HA  142 LEU         MDX  7.00   (#   1973:20  Preassigned   2.16, 3.85 A)
 &rst
  ixpk= 1973, nxpk= 20, iat=2251,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2=2258,2259,2260,2262,2263,2264,
 &end
#
# 142 LEU          HN  142 LEU         MDX  5.50   (#   1974:20  Preassigned   3.61, 4.48 A)
 &rst
  ixpk= 1974, nxpk= 20, iat=2249,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2258,2259,2260,2262,2263,2264,
 &end
#
# 141 ALA          HN  142 LEU         MDX  5.50   (#   1975:20  Preassigned   5.55, 6.81 A)
 &rst
  ixpk= 1975, nxpk= 20, iat=2239,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2258,2259,2260,2262,2263,2264,
 &end
#
#   2 PHE          HD  142 LEU         MDX  6.00   (#   1976:20  Preassigned   2.34, 5.78 A)
 &rst
  ixpk= 1976, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=  29,  37,
 igr2=2258,2259,2260,2262,2263,2264,
 &end
#
#   0 AMB   20-2:1978  142 LEU         MDX  5.50   (#   1978:20      Single   Ambig  )
 &rst
  ixpk= 1978, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=2192,2193,2207,
 igr2=2258,2259,2260,2262,2263,2264,
 &end
#
# 142 LEU         HB-  142 LEU         MDX  4.00   (#   1979:20  Preassigned   2.39, 3.32 A)
 &rst
  ixpk= 1979, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=2253,2254,
 igr2=2258,2259,2260,2262,2263,2264,
 &end
#
#  78 LEU         HB-  142 LEU         MDX  5.50   (#   1981:20      Unique   3.78, 6.46 A)
 &rst
  ixpk= 1981, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1190,1191,
 igr2=2258,2259,2260,2262,2263,2264,
 &end
#
#  78 LEU         MDX  142 LEU         MDX  5.50   (#   1982:20  Preassigned   2.43, 6.03 A)
 &rst
  ixpk= 1982, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1195,1196,1197,1199,1200,1201,
 igr2=2258,2259,2260,2262,2263,2264,
 &end
#
# 142 LEU          HA  142 LEU         MDX  7.00   (#   1984:20  Preassigned   2.16, 3.85 A)
 &rst
  ixpk= 1984, nxpk= 20, iat=2251,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2=2258,2259,2260,2262,2263,2264,
 &end
#
#  66 ARG         HD+   66 ARG         HG-  7.00   (#   1987:20  Preassigned   2.30, 2.70 A)
 &rst
  ixpk= 1987, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 976, 977,
 igr2= 973, 974,
 &end
#
#  35 ALA          MB   66 ARG         HG-  5.50   (#   1988:20  Preassigned   2.32, 4.09 A)
 &rst
  ixpk= 1988, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 562, 563, 564,
 igr2= 973, 974,
 &end
#
#  25 ARG         HD-   25 ARG         HG-  5.50   (#   1989:20  Preassigned   2.30, 2.70 A)
 &rst
  ixpk= 1989, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 394, 395,
 igr2= 391, 392,
 &end
#
#  25 ARG          HA   25 ARG         HG-  5.50   (#   1990:20  Preassigned   2.35, 2.91 A)
 &rst
  ixpk= 1990, nxpk= 20, iat= 386,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 391, 392,
 &end
#
#  25 ARG         HD-   25 ARG         HG-  5.50   (#   1992:20  Preassigned   2.30, 2.70 A)
 &rst
  ixpk= 1992, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 394, 395,
 igr2= 391, 392,
 &end
#
#  25 ARG         HD+   25 ARG         HG-  5.50   (#   1993:20  Preassigned   2.30, 2.70 A)
 &rst
  ixpk= 1993, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 394, 395,
 igr2= 391, 392,
 &end
#
#  25 ARG          HN   25 ARG         HG-  5.50   (#   1994:20  Preassigned   2.48, 4.21 A)
 &rst
  ixpk= 1994, nxpk= 20, iat= 384,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 391, 392,
 &end
#
#  43 LYS          HN   43 LYS         HG+  5.50   (#   1995:20  Preassigned   2.50, 4.26 A)
 &rst
  ixpk= 1995, nxpk= 20, iat= 653,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 660, 661,
 &end
#
#   0 AMB   20-2:1996    0 AMB   20-1:1996  5.50   (#   1996:20      Double   Ambig  )
 &rst
  ixpk= 1996, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 666, 667, 394, 395,
 igr2= 660, 661, 391, 392,
 &end
#
#  25 ARG          HA   25 ARG         HG+  5.50   (#   1997:20  Preassigned   2.35, 2.91 A)
 &rst
  ixpk= 1997, nxpk= 20, iat= 386,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 391, 392,
 &end
#
#   0 AMB   20-2:1998    0 AMB   20-1:1998  4.00   (#   1998:20      Double   Ambig  )
 &rst
  ixpk= 1998, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
 igr1= 388, 389, 388, 389,
 igr2= 391, 392, 391, 392,
 &end
#
#  25 ARG         HD+   25 ARG         HG+  5.50   (#   1999:20  Preassigned   2.30, 2.70 A)
 &rst
  ixpk= 1999, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 394, 395,
 igr2= 391, 392,
 &end
#
#  26 TYR          HD   25 ARG         HG+  7.00   (#   2001:20  Preassigned   2.99, 5.88 A)
 &rst
  ixpk= 2001, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 416, 425,
 igr2= 391, 392,
 &end
#
# 113 ILE          HA  130 LEU         MDX  5.50   (#   2002:20  Preassigned   2.16, 4.33 A)
 &rst
  ixpk= 2002, nxpk= 20, iat=1770,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2058,2059,2060,2062,2063,2064,
 &end
#
# 114 PRO         HD+  130 LEU         MDX  5.50   (#   2003:20  Preassigned   2.18, 4.58 A)
 &rst
  ixpk= 2003, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1788,1789,
 igr2=2058,2059,2060,2062,2063,2064,
 &end
#
# 130 LEU          HN  130 LEU         MDX  5.50   (#   2004:20  Preassigned   4.13, 5.09 A)
 &rst
  ixpk= 2004, nxpk= 20, iat=2049,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2058,2059,2060,2062,2063,2064,
 &end
#
# 130 LEU          HA  130 LEU         MDX  5.50   (#   2005:20  Preassigned   2.22, 3.80 A)
 &rst
  ixpk= 2005, nxpk= 20, iat=2051,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2058,2059,2060,2062,2063,2064,
 &end
#
# 130 LEU         HB-  130 LEU         MDX  4.00   (#   2007:20  Preassigned   2.36, 3.36 A)
 &rst
  ixpk= 2007, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=2053,2054,
 igr2=2058,2059,2060,2062,2063,2064,
 &end
#
#  69 SER          HN   72 LEU         MDX  5.50   (#   2008:20  Preassigned   2.46, 4.47 A)
 &rst
  ixpk= 2008, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#   6 LEU          HA    6 LEU          HG  5.50   (#   2010:20  Preassigned   2.65, 3.08 A)
 &rst
  ixpk= 2010, nxpk= 20, iat=  90,  95, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  72 LEU          HA   72 LEU         MDX  5.50   (#   2011:20  Preassigned   2.16, 3.92 A)
 &rst
  ixpk= 2011, nxpk= 20, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#   0 AMB   20-2:2012   72 LEU         MDX  4.00   (#   2012:20      Single   Ambig  )
 &rst
  ixpk= 2012, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1=1009,1030,1031,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#   6 LEU         MDY    0 AMB   20-1:2015  5.50   (#   2015:20      Single   Ambig  )
 &rst
  ixpk= 2015, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2=  95,1094,1095,1096,1098,1099,1100,
 &end
#
#   6 LEU         MDX    0 AMB   20-1:2016  4.00   (#   2016:20      Single   Ambig  )
 &rst
  ixpk= 2016, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.46, r4= 8.21,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2=  95,1094,1095,1096,1098,1099,1100,
 &end
#
# 112 GLU         HG+  103 LEU         MDX  5.50   (#   2017:20  Preassigned   2.86, 6.32 A)
 &rst
  ixpk= 2017, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1760,1761,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
# 106 HIS          HN  103 LEU         MDX  6.00   (#   2018:20  Preassigned   2.57, 5.23 A)
 &rst
  ixpk= 2018, nxpk= 20, iat=1660,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#   0 AMB   20-2:2019  103 LEU         MDX  5.50   (#   2019:20      Single   Ambig  )
 &rst
  ixpk= 2019, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1616,1755,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#  84 LYS          HA  103 LEU         MDX  6.00   (#   2020:20  Preassigned   2.55, 4.50 A)
 &rst
  ixpk= 2020, nxpk= 20, iat=1291,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#  84 LYS          HN  103 LEU         MDX  6.00   (#   2024:20  Preassigned   2.94, 4.60 A)
 &rst
  ixpk= 2024, nxpk= 20, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
# 103 LEU          HN  103 LEU         MDX  6.00   (#   2025:20  Preassigned   2.47, 5.15 A)
 &rst
  ixpk= 2025, nxpk= 20, iat=1614,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
# 110 GLU          HN  103 LEU         MDX  5.50   (#   2026:20  Preassigned   4.35, 7.29 A)
 &rst
  ixpk= 2026, nxpk= 20, iat=1727,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#   0 AMB   20-2:2027  103 LEU         MDX  5.50   (#   2027:20      Single   Ambig  )
 &rst
  ixpk= 2027, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1757,1758,1734,1735,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#   0 AMB   20-2:2028  103 LEU         MDX  5.50   (#   2028:20      Single   Ambig  )
 &rst
  ixpk= 2028, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1731,1732,1731,1732,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
# 103 LEU         HB+  103 LEU         MDX  4.00   (#   2029:20  Preassigned   2.38, 3.33 A)
 &rst
  ixpk= 2029, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1618,1619,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#  19 ALA          HA   22 LEU         MDY  5.50   (#   2031:20  Preassigned   2.58, 5.18 A)
 &rst
  ixpk= 2031, nxpk= 20, iat= 282,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   0 AMB   20-2:2032   22 LEU         MDY  5.50   (#   2032:20      Single   Ambig  )
 &rst
  ixpk= 2032, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=2091,2092, 333, 334,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#  22 LEU          HN   22 LEU         MDY  5.50   (#   2033:20  Preassigned   2.77, 4.54 A)
 &rst
  ixpk= 2033, nxpk= 20, iat= 329,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
# 128 TYR          HE   22 LEU         MDY  5.50   (#   2034:20  Preassigned   2.20, 5.07 A)
 &rst
  ixpk= 2034, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2024,2029,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
# 132 GLU          HA   22 LEU         MDY  4.00   (#   2035:20  Preassigned   2.06, 3.82 A)
 &rst
  ixpk= 2035, nxpk= 20, iat=2089,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
# 132 GLU         HG-   22 LEU         MDY  5.50   (#   2036:20  Preassigned   2.19, 4.11 A)
 &rst
  ixpk= 2036, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2094,2095,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   0 AMB   20-2:2037   22 LEU         MDY  5.50   (#   2037:20      Single   Ambig  )
 &rst
  ixpk= 2037, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 333, 334, 309, 310,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
# 135 ALA          MB   22 LEU         MDY  5.50   (#   2038:20  Preassigned   2.42, 5.01 A)
 &rst
  ixpk= 2038, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=2141,2142,2143,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   0 AMB   20-2:2039   22 LEU         MDY  4.00   (#   2039:20      Single   Ambig  )
 &rst
  ixpk= 2039, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.05, r4= 7.80,
 igr1= 272, 273, 274, 333, 334,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   0 AMB   20-2:2041   22 LEU         MDY  5.50   (#   2041:20      Single   Ambig  )
 &rst
  ixpk= 2041, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1= 866, 867, 868, 870, 871, 872,2072,2073,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
# 131 LEU         MDX   22 LEU         MDY  5.50   (#   2042:20  Preassigned   2.26, 7.21 A)
 &rst
  ixpk= 2042, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=2077,2078,2079,2081,2082,2083,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
# 132 GLU          HN   22 LEU         MDY  5.50   (#   2043:20  Preassigned   3.10, 5.49 A)
 &rst
  ixpk= 2043, nxpk= 20, iat=2087,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#  73 CYS          HA    6 LEU         MDX  5.50   (#   2045:20  Preassigned   3.30, 5.73 A)
 &rst
  ixpk= 2045, nxpk= 20, iat=1106,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#   6 LEU          HA    6 LEU         MDX  5.50   (#   2046:20  Preassigned   2.17, 3.88 A)
 &rst
  ixpk= 2046, nxpk= 20, iat=  90,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#  72 LEU         HB+    6 LEU         MDX  5.50   (#   2047:20  Preassigned   2.74, 5.40 A)
 &rst
  ixpk= 2047, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1089,1090,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#  79 ILE        HG1+    6 LEU         MDX  5.50   (#   2048:20  Preassigned   2.19, 5.92 A)
 &rst
  ixpk= 2048, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1215,1216,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#   0 AMB   20-2:2051    0 AMB   20-1:2051  5.50   (#   2051:20      Double   Ambig  )
 &rst
  ixpk= 2051, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 840, 857,
 igr2= 844, 845, 844, 845,
 &end
#
#  57 GLN          HA   57 GLN         HB+  5.50   (#   2052:20  Preassigned   2.38, 2.75 A)
 &rst
  ixpk= 2052, nxpk= 20, iat= 842,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 844, 845,
 &end
#
#  35 ALA          MB   66 ARG         HG-  5.50   (#   2054:20  Preassigned   2.32, 4.09 A)
 &rst
  ixpk= 2054, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 562, 563, 564,
 igr2= 973, 974,
 &end
#
#  66 ARG          HN   66 ARG         HG-  5.50   (#   2055:20  Preassigned   2.29, 3.55 A)
 &rst
  ixpk= 2055, nxpk= 20, iat= 966,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 973, 974,
 &end
#
#  66 ARG         HB+   66 ARG         HG-  5.50   (#   2056:20  Preassigned   2.28, 2.69 A)
 &rst
  ixpk= 2056, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 970, 971,
 igr2= 973, 974,
 &end
#
#  66 ARG          HE   66 ARG         HG-  5.50   (#   2058:20  Preassigned   2.25, 2.95 A)
 &rst
  ixpk= 2058, nxpk= 20, iat= 979,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 973, 974,
 &end
#
#  43 LYS          HN   43 LYS         HG+  5.50   (#   2059:20  Preassigned   2.50, 4.26 A)
 &rst
  ixpk= 2059, nxpk= 20, iat= 653,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 660, 661,
 &end
#
#  43 LYS          HA   43 LYS         HG+  5.50   (#   2060:20  Preassigned   2.33, 2.89 A)
 &rst
  ixpk= 2060, nxpk= 20, iat= 655,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 660, 661,
 &end
#
#  44 GLY          HN   43 LYS         HG+  6.00   (#   2061:20  Preassigned   2.10, 3.36 A)
 &rst
  ixpk= 2061, nxpk= 20, iat= 675,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 660, 661,
 &end
#
#  43 LYS         HB+   43 LYS         HG+  4.00   (#   2062:20  Preassigned   2.23, 2.72 A)
 &rst
  ixpk= 2062, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 657, 658,
 igr2= 660, 661,
 &end
#
#  43 LYS         HB-   43 LYS         HG+  4.00   (#   2063:20  Preassigned   2.23, 2.72 A)
 &rst
  ixpk= 2063, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 657, 658,
 igr2= 660, 661,
 &end
#
#  43 LYS         HB+   43 LYS         HG-  4.00   (#   2064:20  Preassigned   2.23, 2.72 A)
 &rst
  ixpk= 2064, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 657, 658,
 igr2= 660, 661,
 &end
#
#  44 GLY          HN   43 LYS         HG-  5.50   (#   2065:20  Preassigned   2.10, 3.36 A)
 &rst
  ixpk= 2065, nxpk= 20, iat= 675,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 660, 661,
 &end
#
#  43 LYS         HB-   43 LYS         HG-  4.00   (#   2066:20  Preassigned   2.23, 2.72 A)
 &rst
  ixpk= 2066, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 657, 658,
 igr2= 660, 661,
 &end
#
#  43 LYS         HE-   43 LYS         HG-  5.50   (#   2067:20  Preassigned   2.25, 3.20 A)
 &rst
  ixpk= 2067, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 666, 667,
 igr2= 660, 661,
 &end
#
#   0 AMB   20-2:2069    0 AMB   20-1:2069  4.00   (#   2069:20      Double   Ambig  )
 &rst
  ixpk= 2069, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
 igr1=1085, 611,
 igr2=1094,1095,1096,1098,1099,1100, 620, 621, 622, 624,
       625, 626,
 &end
#
# 117 TYR          HD   40 LEU         MDX  7.00   (#   2070:20  Preassigned   4.06, 7.37 A)
 &rst
  ixpk= 2070, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1835,1844,
 igr2= 620, 621, 622, 624, 625, 626,
 &end
#
#   0 AMB   20-2:2071    0 AMB   20-1:2071  5.50   (#   2071:20      Double   Ambig  )
 &rst
  ixpk= 2071, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 979, 630,
 igr2=1094,1095,1096,1098,1099,1100, 620, 621, 622, 624,
       625, 626,
 &end
#
# 117 TYR          HE   40 LEU         MDX  5.50   (#   2072:20  Preassigned   2.36, 5.81 A)
 &rst
  ixpk= 2072, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1837,1842,
 igr2= 620, 621, 622, 624, 625, 626,
 &end
#
#  76 TYR          HE   72 LEU         MDX  5.50   (#   2073:20  Preassigned   2.24, 6.11 A)
 &rst
  ixpk= 2073, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1163,1168,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#  71 ARG          HN   72 LEU         MDX  5.50   (#   2074:20  Preassigned   4.59, 6.71 A)
 &rst
  ixpk= 2074, nxpk= 20, iat=1061,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#  31 LYS          HN   30 LEU         MDX  5.50   (#   2075:20  Preassigned   2.19, 4.84 A)
 &rst
  ixpk= 2075, nxpk= 20, iat= 494,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 484, 485, 486, 488, 489, 490,
 &end
#
#   3 ASN          HA   30 LEU         MDX  6.00   (#   2076:20  Preassigned   2.21, 5.10 A)
 &rst
  ixpk= 2076, nxpk= 20, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 484, 485, 486, 488, 489, 490,
 &end
#
#  27 HIS         HB-   30 LEU         MDX  5.50   (#   2077:20  Preassigned   2.34, 4.98 A)
 &rst
  ixpk= 2077, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 433, 434,
 igr2= 484, 485, 486, 488, 489, 490,
 &end
#
#  30 LEU          HN   30 LEU         MDX  5.50   (#   2079:20  Preassigned   3.09, 4.98 A)
 &rst
  ixpk= 2079, nxpk= 20, iat= 475,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 484, 485, 486, 488, 489, 490,
 &end
#
#   3 ASN        HD2-   30 LEU         MDX  5.50   (#   2080:20  Preassigned   2.63, 7.28 A)
 &rst
  ixpk= 2080, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  50,  51,
 igr2= 484, 485, 486, 488, 489, 490,
 &end
#
#  30 LEU          HA   30 LEU         MDX  5.50   (#   2081:20  Preassigned   2.19, 3.75 A)
 &rst
  ixpk= 2081, nxpk= 20, iat= 477,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 484, 485, 486, 488, 489, 490,
 &end
#
#  27 HIS         HB+   30 LEU         MDX  5.50   (#   2082:20  Preassigned   2.34, 4.98 A)
 &rst
  ixpk= 2082, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 433, 434,
 igr2= 484, 485, 486, 488, 489, 490,
 &end
#
#  29 GLU         HG-   30 LEU         MDX  5.50   (#   2083:20  Preassigned   2.20, 6.78 A)
 &rst
  ixpk= 2083, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 467, 468,
 igr2= 484, 485, 486, 488, 489, 490,
 &end
#
#  30 LEU         HB-   30 LEU         MDX  4.00   (#   2084:20  Preassigned   2.35, 3.37 A)
 &rst
  ixpk= 2084, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 479, 480,
 igr2= 484, 485, 486, 488, 489, 490,
 &end
#
#   5 ILE          HB   30 LEU         MDX  5.50   (#   2085:20  Preassigned   3.97, 6.34 A)
 &rst
  ixpk= 2085, nxpk= 20, iat=  73,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 484, 485, 486, 488, 489, 490,
 &end
#
# 102 MET          HA  103 LEU         MDX  6.00   (#   2086:20  Preassigned   4.88, 6.80 A)
 &rst
  ixpk= 2086, nxpk= 20, iat=1599,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
# 110 GLU          HA  103 LEU         MDX  5.50   (#   2087:20  Preassigned   2.33, 5.33 A)
 &rst
  ixpk= 2087, nxpk= 20, iat=1729,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#  58 LEU         HB+   60 LEU         MDX  5.50   (#   2090:20  Preassigned   2.41, 6.93 A)
 &rst
  ixpk= 2090, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 861, 862,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#   7 VAL          HN    6 LEU         MDX  5.50   (#   2091:20  Preassigned   2.08, 4.18 A)
 &rst
  ixpk= 2091, nxpk= 20, iat= 107,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#   6 LEU         HB-    6 LEU         MDX  5.50   (#   2092:20  Preassigned   2.44, 3.32 A)
 &rst
  ixpk= 2092, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  92,  93,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#   0 AMB   20-2:2093    6 LEU         MDX  4.00   (#   2093:20      Single   Ambig  )
 &rst
  ixpk= 2093, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 562, 563, 564,1094,1095,1096,1098,1099,1100,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#  79 ILE        HG1-    6 LEU         MDX  5.50   (#   2094:20  Preassigned   2.19, 5.92 A)
 &rst
  ixpk= 2094, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1215,1216,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#  68 ILE         QD1    6 LEU         MDX  4.00   (#   2095:20  Preassigned   2.25, 4.68 A)
 &rst
  ixpk= 2095, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1=1020,1021,1022,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#   8 VAL         MGY    6 LEU         MDX  4.00   (#   2096:20  Preassigned   2.35, 5.31 A)
 &rst
  ixpk= 2096, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
 igr1= 129, 130, 131, 133, 134, 135,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#   6 LEU         HB+    6 LEU         MDX  5.50   (#   2097:20  Preassigned   2.44, 3.32 A)
 &rst
  ixpk= 2097, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  92,  93,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#   0 AMB   20-2:2098   57 GLN         HB-  5.50   (#   2098:20      Single   Ambig  )
 &rst
  ixpk= 2098, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 840, 857,
 igr2= 844, 845,
 &end
#
#  57 GLN          HA   57 GLN         HB-  5.50   (#   2099:20  Preassigned   2.38, 2.75 A)
 &rst
  ixpk= 2099, nxpk= 20, iat= 842,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 844, 845,
 &end
#
#  76 TYR         HB-   31 LYS         HG+  5.50   (#   2100:20      Unique   5.45, 7.64 A)
 &rst
  ixpk= 2100, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1157,1158,
 igr2= 501, 502,
 &end
#
# 100 LYS          HA  100 LYS         HD-  5.50   (#   2102:20  Preassigned   2.26, 3.93 A)
 &rst
  ixpk= 2102, nxpk= 20, iat=1561,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1569,1570,
 &end
#
# 119 LYS         HE+  119 LYS         HG+  5.50   (#   2103:20  Preassigned   2.45, 3.39 A)
 &rst
  ixpk= 2103, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1885,1886,
 igr2=1879,1880,
 &end
#
# 120 SER          HN  119 LYS         HG+  5.50   (#   2105:20  Preassigned   2.55, 4.29 A)
 &rst
  ixpk= 2105, nxpk= 20, iat=1894,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1879,1880,
 &end
#
# 116 PRO          HA  119 LYS         HG+  5.50   (#   2106:20  Preassigned   2.23, 4.28 A)
 &rst
  ixpk= 2106, nxpk= 20, iat=1823,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1879,1880,
 &end
#
#   0 AMB   20-2:2107    0 AMB   20-1:2107  4.00   (#   2107:20      Double   Ambig  )
 &rst
  ixpk= 2107, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
 igr1=1876,1877,1876,1877,
 igr2=1879,1880,1879,1880,
 &end
#
# 119 LYS          HN  119 LYS         HG-  5.50   (#   2110:20  Preassigned   2.41, 3.47 A)
 &rst
  ixpk= 2110, nxpk= 20, iat=1872,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1879,1880,
 &end
#
# 119 LYS         HD+  119 LYS         HG-  4.00   (#   2112:20  Preassigned   2.29, 2.66 A)
 &rst
  ixpk= 2112, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1882,1883,
 igr2=1879,1880,
 &end
#
#  40 LEU          HA   40 LEU         MDX  5.50   (#   2114:20  Preassigned   2.17, 3.93 A)
 &rst
  ixpk= 2114, nxpk= 20, iat= 613,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 620, 621, 622, 624, 625, 626,
 &end
#
#  40 LEU          HG   40 LEU         MDX  2.80   (#   2115:20  Preassigned   2.43, 2.66 A)
 &rst
  ixpk= 2115, nxpk= 20, iat= 618,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 620, 621, 622, 624, 625, 626,
 &end
#
#   0 AMB   20-2:2116   40 LEU         MDX  4.00   (#   2116:20      Single   Ambig  )
 &rst
  ixpk= 2116, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
 igr1= 615, 616, 660, 661,
 igr2= 620, 621, 622, 624, 625, 626,
 &end
#
#  40 LEU         HB-   40 LEU         MDX  5.50   (#   2117:20  Preassigned   2.36, 3.33 A)
 &rst
  ixpk= 2117, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 615, 616,
 igr2= 620, 621, 622, 624, 625, 626,
 &end
#
#  22 LEU         MDY  131 LEU         MDY  5.50   (#   2118:20  Preassigned   2.26, 7.21 A)
 &rst
  ixpk= 2118, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2=2077,2078,2079,2081,2082,2083,
 &end
#
# 106 HIS          HA  103 LEU         MDX  6.00   (#   2120:20  Preassigned   3.17, 6.07 A)
 &rst
  ixpk= 2120, nxpk= 20, iat=1662,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#   0 AMB   20-2:2121   60 LEU         MDX  4.00   (#   2121:20      Single   Ambig  )
 &rst
  ixpk= 2121, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.05, r4= 7.80,
 igr1= 686, 687, 688, 256, 257,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#  50 ILE          HN   60 LEU         MDX  5.50   (#   2122:20  Preassigned   3.04, 5.39 A)
 &rst
  ixpk= 2122, nxpk= 20, iat= 742,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#  60 LEU          HN   60 LEU         MDX  5.50   (#   2123:20  Preassigned   2.08, 4.68 A)
 &rst
  ixpk= 2123, nxpk= 20, iat= 887,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#  61 GLU          HN   60 LEU         MDX  5.50   (#   2124:20      Unique   2.33, 5.75 A)
 &rst
  ixpk= 2124, nxpk= 20, iat= 906,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#  60 LEU          HA   60 LEU         MDX  5.50   (#   2125:20  Preassigned   2.22, 3.81 A)
 &rst
  ixpk= 2125, nxpk= 20, iat= 889,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#  18 THR          HA   60 LEU         MDX  5.50   (#   2126:20  Preassigned   2.34, 4.49 A)
 &rst
  ixpk= 2126, nxpk= 20, iat= 268,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#  50 ILE          HA   60 LEU         MDX  5.50   (#   2127:20  Preassigned   2.11, 4.40 A)
 &rst
  ixpk= 2127, nxpk= 20, iat= 744,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#  53 ALA          MB   60 LEU         MDX  4.00   (#   2128:20  Preassigned   2.28, 4.14 A)
 &rst
  ixpk= 2128, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1= 792, 793, 794,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#  60 LEU          HG   60 LEU         MDX  4.00   (#   2129:20  Preassigned   2.34, 2.65 A)
 &rst
  ixpk= 2129, nxpk= 20, iat= 894,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#  58 LEU         MDY   60 LEU         MDX  4.00   (#   2130:20  Preassigned   2.16, 6.91 A)
 &rst
  ixpk= 2130, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
 igr1= 866, 867, 868, 870, 871, 872,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#  53 ALA          HA   60 LEU         MDX  6.00   (#   2131:20  Preassigned   4.65, 6.28 A)
 &rst
  ixpk= 2131, nxpk= 20, iat= 790,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#  49 ALA          MB   60 LEU         MDX  2.80   (#   2132:20  Preassigned   2.22, 4.68 A)
 &rst
  ixpk= 2132, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 736, 737, 738,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#   2 PHE          HE   78 LEU         MDX  5.50   (#   2133:20  Preassigned   2.78, 5.66 A)
 &rst
  ixpk= 2133, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  31,  35,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#   0 AMB   20-2:2134   78 LEU         MDX  5.50   (#   2134:20      Single   Ambig  )
 &rst
  ixpk= 2134, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
 igr1=1231,2258,2259,2260,2262,2263,2264,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
# 138 TRP         HZ2   78 LEU         MDX  5.50   (#   2136:20  Preassigned   5.23, 7.39 A)
 &rst
  ixpk= 2136, nxpk= 20, iat=2201,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#   2 PHE          HD   78 LEU         MDX  5.50   (#   2137:20  Preassigned   2.78, 5.35 A)
 &rst
  ixpk= 2137, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  29,  37,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#   2 PHE         HB-   78 LEU         MDX  6.00   (#   2138:20  Preassigned   2.60, 5.18 A)
 &rst
  ixpk= 2138, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=  25,  26,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#   0 AMB   20-2:2139   78 LEU         MDX  5.50   (#   2139:20      Single   Ambig  )
 &rst
  ixpk= 2139, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=  79,  80,1569,1570,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#  78 LEU         HB+   78 LEU         MDX  4.00   (#   2140:20  Preassigned   2.39, 3.37 A)
 &rst
  ixpk= 2140, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1190,1191,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#  78 LEU         HB-   78 LEU         MDX  4.00   (#   2141:20  Preassigned   2.39, 3.37 A)
 &rst
  ixpk= 2141, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1190,1191,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#  80 LEU         MDX   78 LEU         MDX  5.50   (#   2143:20  Preassigned   2.24, 5.18 A)
 &rst
  ixpk= 2143, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1233,1234,1235,1237,1238,1239,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#   0 AMB   20-2:2144   78 LEU         MDX  5.50   (#   2144:20      Single   Ambig  )
 &rst
  ixpk= 2144, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
 igr1=1231,2258,2259,2260,2262,2263,2264,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
# 142 LEU         MDX   78 LEU         MDX  5.50   (#   2145:20  Preassigned   2.43, 6.03 A)
 &rst
  ixpk= 2145, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=2258,2259,2260,2262,2263,2264,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#  31 LYS         HB-   31 LYS         HG+  4.00   (#   2147:20  Preassigned   2.30, 2.72 A)
 &rst
  ixpk= 2147, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 498, 499,
 igr2= 501, 502,
 &end
#
#   0 AMB   20-2:2149    0 AMB   20-1:2149  2.80   (#   2149:20      Double   Ambig  )
 &rst
  ixpk= 2149, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 504, 505, 504, 505,
 igr2= 501, 502, 501, 502,
 &end
#
# 100 LYS          HA  100 LYS         HD-  5.50   (#   2150:20  Preassigned   2.26, 3.93 A)
 &rst
  ixpk= 2150, nxpk= 20, iat=1561,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1569,1570,
 &end
#
# 119 LYS          HN  119 LYS         HG+  5.50   (#   2151:20  Preassigned   2.41, 3.47 A)
 &rst
  ixpk= 2151, nxpk= 20, iat=1872,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1879,1880,
 &end
#
# 123 THR         MG2  119 LYS         HG+  5.50   (#   2152:20  Preassigned   2.42, 5.02 A)
 &rst
  ixpk= 2152, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1950,1951,1952,
 igr2=1879,1880,
 &end
#
#  31 LYS         HB+   31 LYS         HG-  5.50   (#   2154:20      Unique   2.30, 2.72 A)
 &rst
  ixpk= 2154, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 498, 499,
 igr2= 501, 502,
 &end
#
# 100 LYS          HA    0 AMB   20-1:2157  5.50   (#   2157:20      Single   Ambig  )
 &rst
  ixpk= 2157, nxpk= 20, iat=1561,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1566,1567,1566,1567,
 &end
#
# 135 ALA          HA   23 LEU         MDY  5.50   (#   2159:20  Preassigned   2.55, 4.07 A)
 &rst
  ixpk= 2159, nxpk= 20, iat=2139,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
#   0 AMB   20-2:2162  131 LEU         MDY  5.50   (#   2162:20      Single   Ambig  )
 &rst
  ixpk= 2162, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2016, 282,
 igr2=2077,2078,2079,2081,2082,2083,
 &end
#
# 104 PHE          HE  131 LEU         MDY  5.50   (#   2165:20  Preassigned   2.89, 6.80 A)
 &rst
  ixpk= 2165, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1643,1647,
 igr2=2077,2078,2079,2081,2082,2083,
 &end
#
# 104 PHE          HD  131 LEU         MDY  5.50   (#   2166:20  Preassigned   3.15, 6.85 A)
 &rst
  ixpk= 2166, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1641,1649,
 igr2=2077,2078,2079,2081,2082,2083,
 &end
#
# 131 LEU          HA  131 LEU         MDY  4.00   (#   2167:20  Preassigned   2.10, 4.49 A)
 &rst
  ixpk= 2167, nxpk= 20, iat=2070,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2=2077,2078,2079,2081,2082,2083,
 &end
#
# 131 LEU          HG  131 LEU         MDY  5.50   (#   2168:20  Preassigned   2.34, 2.65 A)
 &rst
  ixpk= 2168, nxpk= 20, iat=2075,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2077,2078,2079,2081,2082,2083,
 &end
#
#  82 MET          ME  131 LEU         MDY  5.50   (#   2169:20  Preassigned   2.16, 4.59 A)
 &rst
  ixpk= 2169, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1268,1269,1270,
 igr2=2077,2078,2079,2081,2082,2083,
 &end
#
#  18 THR         MG2  131 LEU         MDY  5.50   (#   2170:20  Preassigned   2.38, 5.00 A)
 &rst
  ixpk= 2170, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 272, 273, 274,
 igr2=2077,2078,2079,2081,2082,2083,
 &end
#
# 131 LEU          HN  131 LEU         MDY  5.50   (#   2171:20  Preassigned   1.96, 4.11 A)
 &rst
  ixpk= 2171, nxpk= 20, iat=2068,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2077,2078,2079,2081,2082,2083,
 &end
#
#   0 AMB   20-2:2172  131 LEU         MDY  7.00   (#   2172:20      Single   Ambig  )
 &rst
  ixpk= 2172, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 282,2000,
 igr2=2077,2078,2079,2081,2082,2083,
 &end
#
#  37 LEU          HN   37 LEU         MDX  5.50   (#   2173:20  Preassigned   2.41, 4.91 A)
 &rst
  ixpk= 2173, nxpk= 20, iat= 575,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#  86 HIS         HD1   37 LEU         MDX  5.50   (#   2174:20  Preassigned   2.32, 4.57 A)
 &rst
  ixpk= 2174, nxpk= 20, iat=1343,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#  86 HIS          HA   37 LEU         MDX  5.50   (#   2175:20  Preassigned   2.25, 4.08 A)
 &rst
  ixpk= 2175, nxpk= 20, iat=1337,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#  86 HIS         HB-   37 LEU         MDX  5.50   (#   2177:20  Preassigned   2.27, 5.25 A)
 &rst
  ixpk= 2177, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1339,1340,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#   0 AMB   20-2:2179   37 LEU         MDX  5.50   (#   2179:20      Single   Ambig  )
 &rst
  ixpk= 2179, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
 igr1=1390,1391,1466,1467,1468,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#   0 AMB   20-2:2180   37 LEU         MDX  4.00   (#   2180:20      Single   Ambig  )
 &rst
  ixpk= 2180, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1= 579, 580, 127,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#  90 LEU          HN   37 LEU         MDX  5.50   (#   2182:20  Preassigned   2.34, 4.82 A)
 &rst
  ixpk= 2182, nxpk= 20, iat=1410,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#  89 ARG          HN   37 LEU         MDX  6.00   (#   2183:20  Preassigned   3.94, 5.78 A)
 &rst
  ixpk= 2183, nxpk= 20, iat=1386,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#  89 ARG          HA   37 LEU         MDX  6.00   (#   2185:20  Preassigned   4.48, 6.25 A)
 &rst
  ixpk= 2185, nxpk= 20, iat=1388,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#  37 LEU          HA   37 LEU         MDX  5.50   (#   2186:20  Preassigned   2.20, 3.86 A)
 &rst
  ixpk= 2186, nxpk= 20, iat= 577,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#  90 LEU          HG   37 LEU         MDX  5.50   (#   2187:20  Preassigned   2.29, 5.26 A)
 &rst
  ixpk= 2187, nxpk= 20, iat=1417,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#   0 AMB   20-2:2189   37 LEU         MDX  4.00   (#   2189:20      Single   Ambig  )
 &rst
  ixpk= 2189, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.16, r4= 8.91,
 igr1=1419,1420,1421,1423,1424,1425, 129, 130, 131, 133,
       134, 135,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#  79 ILE          HN   78 LEU         MDX  5.50   (#   2190:20  Preassigned   2.06, 4.37 A)
 &rst
  ixpk= 2190, nxpk= 20, iat=1205,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#  78 LEU          HA   78 LEU         MDX  5.50   (#   2191:20  Preassigned   2.13, 3.79 A)
 &rst
  ixpk= 2191, nxpk= 20, iat=1188,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#   2 PHE         HB+   78 LEU         MDX  6.00   (#   2192:20  Preassigned   2.60, 5.18 A)
 &rst
  ixpk= 2192, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=  25,  26,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#  78 LEU          HG   78 LEU         MDX  4.00   (#   2193:20  Preassigned   2.34, 2.65 A)
 &rst
  ixpk= 2193, nxpk= 20, iat=1193,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#   5 ILE         QD1   78 LEU         MDX  4.00   (#   2194:20  Preassigned   2.32, 5.85 A)
 &rst
  ixpk= 2194, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1=  82,  83,  84,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#  31 LYS          HN   31 LYS         HG+  7.00   (#   2195:20  Preassigned   2.21, 3.87 A)
 &rst
  ixpk= 2195, nxpk= 20, iat= 494,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 501, 502,
 &end
#
#  32 VAL          HN   31 LYS         HG+  5.50   (#   2196:20  Preassigned   2.40, 3.83 A)
 &rst
  ixpk= 2196, nxpk= 20, iat= 516,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 501, 502,
 &end
#
#  23 LEU          HN   23 LEU         MDY  5.50   (#   2198:20  Preassigned   2.38, 4.45 A)
 &rst
  ixpk= 2198, nxpk= 20, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
# 104 PHE          HE   23 LEU         MDY  5.50   (#   2199:20  Preassigned   2.54, 5.43 A)
 &rst
  ixpk= 2199, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1643,1647,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
#  27 HIS         HD2   23 LEU         MDY  5.50   (#   2200:20  Preassigned   2.91, 6.63 A)
 &rst
  ixpk= 2200, nxpk= 20, iat= 442,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
#  23 LEU          HA   23 LEU         MDY  4.00   (#   2201:20  Preassigned   2.15, 3.80 A)
 &rst
  ixpk= 2201, nxpk= 20, iat= 350,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
# 139 ALA          HA   23 LEU         MDY  5.50   (#   2202:20  Preassigned   3.08, 5.69 A)
 &rst
  ixpk= 2202, nxpk= 20, iat=2214,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
#   0 AMB   20-2:2203   23 LEU         MDY  5.50   (#   2203:20      Single   Ambig  )
 &rst
  ixpk= 2203, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
 igr1=2141,2142,2143, 352, 353,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
#  32 VAL         MGY   23 LEU         MDY  4.00   (#   2204:20  Preassigned   2.33, 5.55 A)
 &rst
  ixpk= 2204, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
 igr1= 522, 523, 524, 526, 527, 528,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
#  19 ALA          MB   23 LEU         MDY  2.80   (#   2205:20  Preassigned   3.00, 6.09 A)
 &rst
  ixpk= 2205, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 284, 285, 286,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
# 138 TRP         HB+   23 LEU         MDY  4.00   (#   2206:20  Preassigned   2.23, 4.21 A)
 &rst
  ixpk= 2206, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=2192,2193,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
#  23 LEU         HB+   23 LEU         MDY  4.00   (#   2207:20  Preassigned   2.41, 3.34 A)
 &rst
  ixpk= 2207, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 352, 353,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
#   0 AMB   20-2:2208   23 LEU         MDY  5.50   (#   2208:20      Single   Ambig  )
 &rst
  ixpk= 2208, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.69, r4=11.44,
 igr1=  75,  76,  77, 113, 114, 115, 117, 118, 119,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
#  80 LEU         MDX   23 LEU         MDY  5.50   (#   2209:20  Preassigned   2.35, 5.95 A)
 &rst
  ixpk= 2209, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1233,1234,1235,1237,1238,1239,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
#   0 AMB   20-2:2210  127 VAL         MGY  5.50   (#   2210:20      Single   Ambig  )
 &rst
  ixpk= 2210, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1988,2035,
 igr2=2004,2005,2006,2008,2009,2010,
 &end
#
# 116 PRO          HA  127 VAL         MGY  5.50   (#   2211:20  Preassigned   3.35, 5.26 A)
 &rst
  ixpk= 2211, nxpk= 20, iat=1823,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2004,2005,2006,2008,2009,2010,
 &end
#
# 116 PRO         HD+  127 VAL         MGY  5.50   (#   2216:20      Unique   2.12, 4.31 A)
 &rst
  ixpk= 2216, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1814,1815,
 igr2=2004,2005,2006,2008,2009,2010,
 &end
#
#  23 LEU          HN   23 LEU         MDX  5.50   (#   2217:20  Preassigned   2.38, 4.45 A)
 &rst
  ixpk= 2217, nxpk= 20, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
# 138 TRP         HB-   23 LEU         MDX  5.50   (#   2218:20  Preassigned   2.23, 4.21 A)
 &rst
  ixpk= 2218, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2192,2193,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
#   0 AMB   20-2:2219   23 LEU         MDX  5.50   (#   2219:20      Single   Ambig  )
 &rst
  ixpk= 2219, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.69, r4=11.44,
 igr1=  75,  76,  77, 113, 114, 115, 117, 118, 119,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
#   0 AMB   20-2:2222   90 LEU         MDY  7.00   (#   2222:20      Single   Ambig  )
 &rst
  ixpk= 2222, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1455,1352,
 igr2=1419,1420,1421,1423,1424,1425,
 &end
#
#  90 LEU          HG   90 LEU         MDY  4.00   (#   2223:20  Preassigned   2.39, 2.66 A)
 &rst
  ixpk= 2223, nxpk= 20, iat=1417,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2=1419,1420,1421,1423,1424,1425,
 &end
#
#   8 VAL          HB   90 LEU         MDY  5.50   (#   2224:20  Preassigned   2.40, 4.24 A)
 &rst
  ixpk= 2224, nxpk= 20, iat= 127,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1419,1420,1421,1423,1424,1425,
 &end
#
#  90 LEU         HB-   90 LEU         MDY  4.00   (#   2225:20  Preassigned   2.31, 3.33 A)
 &rst
  ixpk= 2225, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1414,1415,
 igr2=1419,1420,1421,1423,1424,1425,
 &end
#
#  90 LEU          HN   90 LEU         MDY  5.50   (#   2226:20  Preassigned   2.63, 4.87 A)
 &rst
  ixpk= 2226, nxpk= 20, iat=1410,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1419,1420,1421,1423,1424,1425,
 &end
#
#  81 THR          HB   90 LEU         MDY  6.00   (#   2227:20  Preassigned   2.95, 5.42 A)
 &rst
  ixpk= 2227, nxpk= 20, iat=1247,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1419,1420,1421,1423,1424,1425,
 &end
#
#  90 LEU          HA   90 LEU         MDY  5.50   (#   2228:20      Unique   2.20, 3.91 A)
 &rst
  ixpk= 2228, nxpk= 20, iat=1412,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1419,1420,1421,1423,1424,1425,
 &end
#
#   0 AMB   20-2:2229   90 LEU         MDY  4.00   (#   2229:20      Single   Ambig  )
 &rst
  ixpk= 2229, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
 igr1=1414,1415,1515,1516,
 igr2=1419,1420,1421,1423,1424,1425,
 &end
#
#  91 CYS          HN   90 LEU         MDY  6.00   (#   2230:20  Preassigned   4.34, 5.61 A)
 &rst
  ixpk= 2230, nxpk= 20, iat=1429,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1419,1420,1421,1423,1424,1425,
 &end
#
#  89 ARG         HG-   37 LEU         MDX  5.50   (#   2231:20  Preassigned   2.36, 5.53 A)
 &rst
  ixpk= 2231, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1393,1394,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#  69 SER         HB+   72 LEU         MDY  5.50   (#   2234:20  Preassigned   2.49, 5.77 A)
 &rst
  ixpk= 2234, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1030,1031,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#  66 ARG         HD+   72 LEU         MDY  7.00   (#   2235:20  Preassigned   2.56, 6.64 A)
 &rst
  ixpk= 2235, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 976, 977,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#  66 ARG         HD-   72 LEU         MDY  7.00   (#   2236:20  Preassigned   2.56, 6.64 A)
 &rst
  ixpk= 2236, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 976, 977,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#  67 GLN         HB+   72 LEU         MDY  7.00   (#   2237:20      Unique   5.38, 7.90 A)
 &rst
  ixpk= 2237, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 994, 995,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#   6 LEU         MDX   72 LEU         MDY  6.00   (#   2238:20  Preassigned   2.77, 6.67 A)
 &rst
  ixpk= 2238, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#  66 ARG          HA   72 LEU         MDY  6.00   (#   2239:20      Unique   5.97, 7.74 A)
 &rst
  ixpk= 2239, nxpk= 20, iat= 968,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
# 139 ALA          HN   23 LEU         MDY  5.50   (#   2241:20  Preassigned   2.81, 5.03 A)
 &rst
  ixpk= 2241, nxpk= 20, iat=2212,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
# 116 PRO          HA  127 VAL         MGY  5.50   (#   2242:20  Preassigned   3.35, 5.26 A)
 &rst
  ixpk= 2242, nxpk= 20, iat=1823,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2004,2005,2006,2008,2009,2010,
 &end
#
# 128 TYR          HN  127 VAL         MGY  5.50   (#   2243:20  Preassigned   2.59, 4.49 A)
 &rst
  ixpk= 2243, nxpk= 20, iat=2014,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2004,2005,2006,2008,2009,2010,
 &end
#
# 127 VAL          HN  127 VAL         MGY  5.50   (#   2244:20  Preassigned   2.25, 3.64 A)
 &rst
  ixpk= 2244, nxpk= 20, iat=1998,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2004,2005,2006,2008,2009,2010,
 &end
#
# 116 PRO         HD+  127 VAL         MGY  5.50   (#   2245:20  Preassigned   2.12, 4.31 A)
 &rst
  ixpk= 2245, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1814,1815,
 igr2=2004,2005,2006,2008,2009,2010,
 &end
#
# 127 VAL          HA  127 VAL         MGY  4.00   (#   2246:20  Preassigned   2.39, 3.25 A)
 &rst
  ixpk= 2246, nxpk= 20, iat=2000,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2=2004,2005,2006,2008,2009,2010,
 &end
#
# 127 VAL          HB  127 VAL         MGY  4.00   (#   2247:20  Preassigned   2.36, 2.66 A)
 &rst
  ixpk= 2247, nxpk= 20, iat=2002,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2=2004,2005,2006,2008,2009,2010,
 &end
#
# 114 PRO         HD+  127 VAL         MGY  5.50   (#   2249:20  Preassigned   2.32, 5.25 A)
 &rst
  ixpk= 2249, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1788,1789,
 igr2=2004,2005,2006,2008,2009,2010,
 &end
#
# 104 PHE          HE   23 LEU         MDX  5.50   (#   2250:20  Preassigned   2.54, 5.43 A)
 &rst
  ixpk= 2250, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1643,1647,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
# 139 ALA          HN   23 LEU         MDX  6.00   (#   2251:20  Preassigned   2.81, 5.03 A)
 &rst
  ixpk= 2251, nxpk= 20, iat=2212,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
#  24 GLN          HN   23 LEU         MDX  5.50   (#   2252:20  Preassigned   4.78, 5.76 A)
 &rst
  ixpk= 2252, nxpk= 20, iat= 367,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
# 104 PHE          HZ   23 LEU         MDX  5.50   (#   2253:20  Preassigned   2.19, 4.02 A)
 &rst
  ixpk= 2253, nxpk= 20, iat=1645,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
#  27 HIS         HD2   23 LEU         MDX  7.00   (#   2254:20  Preassigned   2.91, 6.63 A)
 &rst
  ixpk= 2254, nxpk= 20, iat= 442,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
# 138 TRP          HA   23 LEU         MDX  5.50   (#   2255:20  Preassigned   4.54, 6.58 A)
 &rst
  ixpk= 2255, nxpk= 20, iat=2190,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
# 135 ALA          HA   23 LEU         MDX  5.50   (#   2256:20  Preassigned   2.55, 4.07 A)
 &rst
  ixpk= 2256, nxpk= 20, iat=2139,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
#  20 GLU          HA   23 LEU         MDX  6.00   (#   2257:20  Preassigned   2.41, 5.20 A)
 &rst
  ixpk= 2257, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
# 138 TRP         HB+   23 LEU         MDX  5.50   (#   2258:20  Preassigned   2.23, 4.21 A)
 &rst
  ixpk= 2258, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2192,2193,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
#  23 LEU         HB+   23 LEU         MDX  5.50   (#   2259:20  Preassigned   2.41, 3.34 A)
 &rst
  ixpk= 2259, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 352, 353,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
#  87 ILE          HB  101 VAL         MGX  5.50   (#   2260:20  Preassigned   2.14, 7.07 A)
 &rst
  ixpk= 2260, nxpk= 20, iat=1356,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#  93 MET          ME   90 LEU         MDY  5.50   (#   2261:20  Preassigned   2.36, 6.89 A)
 &rst
  ixpk= 2261, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1466,1467,1468,
 igr2=1419,1420,1421,1423,1424,1425,
 &end
#
#  75 ASN        HD2-   72 LEU         MDY  5.50   (#   2262:20  Preassigned   3.85, 7.31 A)
 &rst
  ixpk= 2262, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1148,1149,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#  69 SER          HN   72 LEU         MDY  5.50   (#   2263:20  Preassigned   2.46, 4.47 A)
 &rst
  ixpk= 2263, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#  72 LEU          HN   72 LEU         MDY  5.50   (#   2265:20  Preassigned   2.54, 4.34 A)
 &rst
  ixpk= 2265, nxpk= 20, iat=1085,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#  75 ASN        HD2+   72 LEU         MDY  5.50   (#   2266:20  Preassigned   3.85, 7.31 A)
 &rst
  ixpk= 2266, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1148,1149,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#  76 TYR          HE   72 LEU         MDY  4.00   (#   2267:20  Preassigned   2.24, 6.11 A)
 &rst
  ixpk= 2267, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1163,1168,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#  72 LEU          HA   72 LEU         MDY  4.00   (#   2269:20  Preassigned   2.16, 3.92 A)
 &rst
  ixpk= 2269, nxpk= 20, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#   0 AMB   20-2:2270   72 LEU         MDY  5.50   (#   2270:20      Single   Ambig  )
 &rst
  ixpk= 2270, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1143,1144,1143,1144,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#   0 AMB   20-2:2271   72 LEU         MDY  5.50   (#   2271:20      Single   Ambig  )
 &rst
  ixpk= 2271, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1089,1090,1065,1066,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#  72 LEU         HB-   72 LEU         MDY  5.50   (#   2272:20  Preassigned   2.37, 3.34 A)
 &rst
  ixpk= 2272, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1089,1090,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#   6 LEU         MDY   72 LEU         MDY  6.00   (#   2275:20  Preassigned   2.77, 6.67 A)
 &rst
  ixpk= 2275, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#   0 AMB   20-2:2277    0 AMB   20-1:2277  5.50   (#   2277:20      Double   Ambig  )
 &rst
  ixpk= 2277, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1837,1842,1581,
 igr2= 620, 621, 622, 624, 625, 626,1587,1588,1589,1591,
      1592,1593,
 &end
#
# 102 MET          HN  101 VAL         MGX  5.50   (#   2279:20  Preassigned   2.30, 4.40 A)
 &rst
  ixpk= 2279, nxpk= 20, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
# 101 VAL          HA  101 VAL         MGX  5.50   (#   2280:20  Preassigned   2.35, 3.18 A)
 &rst
  ixpk= 2280, nxpk= 20, iat=1583,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
# 138 TRP         HE1   80 LEU         MDY  5.50   (#   2282:20  Preassigned   2.73, 4.90 A)
 &rst
  ixpk= 2282, nxpk= 20, iat=2198,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
#  81 THR          HN   80 LEU         MDY  5.50   (#   2283:20  Preassigned   3.80, 5.32 A)
 &rst
  ixpk= 2283, nxpk= 20, iat=1243,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
# 138 TRP         HZ2   80 LEU         MDY  5.50   (#   2284:20  Preassigned   2.97, 5.39 A)
 &rst
  ixpk= 2284, nxpk= 20, iat=2201,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
# 101 VAL          HA   80 LEU         MDY  6.00   (#   2285:20  Preassigned   4.55, 6.73 A)
 &rst
  ixpk= 2285, nxpk= 20, iat=1583,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
# 102 MET          HA   80 LEU         MDY  5.50   (#   2286:20  Preassigned   4.59, 6.88 A)
 &rst
  ixpk= 2286, nxpk= 20, iat=1599,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
#   0 AMB   20-2:2287   80 LEU         MDY  5.50   (#   2287:20      Single   Ambig  )
 &rst
  ixpk= 2287, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1601,1602,1604,1605,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
# 102 MET         HB-   80 LEU         MDY  5.50   (#   2288:20  Preassigned   2.23, 5.02 A)
 &rst
  ixpk= 2288, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1601,1602,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
# 102 MET          ME   80 LEU         MDY  6.00   (#   2289:20  Preassigned   2.34, 5.48 A)
 &rst
  ixpk= 2289, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
 igr1=1608,1609,1610,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
#   7 VAL         MGY   80 LEU         MDY  5.50   (#   2291:20  Preassigned   2.68, 6.60 A)
 &rst
  ixpk= 2291, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 113, 114, 115, 117, 118, 119,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
#  22 LEU          HN   22 LEU         MDX  5.50   (#   2295:20  Preassigned   2.77, 4.54 A)
 &rst
  ixpk= 2295, nxpk= 20, iat= 329,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#  26 TYR          HE   22 LEU         MDX  5.50   (#   2296:20  Preassigned   2.19, 5.87 A)
 &rst
  ixpk= 2296, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 418, 423,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
# 128 TYR          HE   22 LEU         MDX  5.50   (#   2297:20  Preassigned   2.20, 5.07 A)
 &rst
  ixpk= 2297, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2024,2029,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#  22 LEU          HA   22 LEU         MDX  2.80   (#   2298:20  Preassigned   2.12, 3.83 A)
 &rst
  ixpk= 2298, nxpk= 20, iat= 331,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#  25 ARG         HD+   22 LEU         MDX  7.00   (#   2299:20  Preassigned   2.36, 6.11 A)
 &rst
  ixpk= 2299, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 394, 395,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
# 132 GLU         HG+   22 LEU         MDX  5.50   (#   2300:20  Preassigned   2.19, 4.11 A)
 &rst
  ixpk= 2300, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2094,2095,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
# 132 GLU         HG-   22 LEU         MDX  5.50   (#   2301:20  Preassigned   2.19, 4.11 A)
 &rst
  ixpk= 2301, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2094,2095,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
# 135 ALA          MB   22 LEU         MDX  4.00   (#   2302:20  Preassigned   2.42, 5.01 A)
 &rst
  ixpk= 2302, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1=2141,2142,2143,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#  22 LEU          HG   22 LEU         MDX  2.80   (#   2303:20  Preassigned   2.39, 2.66 A)
 &rst
  ixpk= 2303, nxpk= 20, iat= 336,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   0 AMB   20-2:2305   40 LEU         MDY  4.00   (#   2305:20      Single   Ambig  )
 &rst
  ixpk= 2305, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
 igr1= 615, 616, 660, 661,
 igr2= 620, 621, 622, 624, 625, 626,
 &end
#
#  40 LEU          HN   40 LEU         MDY  5.50   (#   2306:20  Preassigned   2.67, 4.44 A)
 &rst
  ixpk= 2306, nxpk= 20, iat= 611,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 620, 621, 622, 624, 625, 626,
 &end
#
#  41 VAL          HN   40 LEU         MDY  5.50   (#   2307:20  Preassigned   4.41, 6.19 A)
 &rst
  ixpk= 2307, nxpk= 20, iat= 630,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 620, 621, 622, 624, 625, 626,
 &end
#
# 117 TYR          HE   40 LEU         MDY  6.00   (#   2308:20  Preassigned   2.36, 5.81 A)
 &rst
  ixpk= 2308, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1837,1842,
 igr2= 620, 621, 622, 624, 625, 626,
 &end
#
#  40 LEU          HA   40 LEU         MDY  4.00   (#   2309:20  Preassigned   2.17, 3.93 A)
 &rst
  ixpk= 2309, nxpk= 20, iat= 613,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 620, 621, 622, 624, 625, 626,
 &end
#
#  87 ILE          HN  101 VAL         MGX  5.50   (#   2311:20  Preassigned   4.69, 6.90 A)
 &rst
  ixpk= 2311, nxpk= 20, iat=1352,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
# 101 VAL          HB  101 VAL         MGX  4.00   (#   2312:20  Preassigned   2.39, 2.66 A)
 &rst
  ixpk= 2312, nxpk= 20, iat=1585,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#  87 ILE          HA  101 VAL         MGX  5.50   (#   2313:20  Preassigned   2.23, 4.45 A)
 &rst
  ixpk= 2313, nxpk= 20, iat=1354,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#  48 THR          HA   48 THR         MG2  4.00   (#   2314:20  Preassigned   2.38, 2.97 A)
 &rst
  ixpk= 2314, nxpk= 20, iat= 720,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 724, 725, 726,
 &end
#
#  52 VAL          HN   48 THR         MG2  6.00   (#   2315:20  Preassigned   4.10, 5.48 A)
 &rst
  ixpk= 2315, nxpk= 20, iat= 772,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 724, 725, 726,
 &end
#
# 124 PHE          HN   48 THR         MG2  6.00   (#   2316:20  Preassigned   4.32, 5.25 A)
 &rst
  ixpk= 2316, nxpk= 20, iat=1958,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 724, 725, 726,
 &end
#
# 124 PHE         HB+   48 THR         MG2  5.50   (#   2318:20  Preassigned   2.51, 4.28 A)
 &rst
  ixpk= 2318, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1962,1963,
 igr2= 724, 725, 726,
 &end
#
# 121 ARG         HD+   48 THR         MG2  5.50   (#   2319:20  Preassigned   3.61, 5.46 A)
 &rst
  ixpk= 2319, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1915,1916,
 igr2= 724, 725, 726,
 &end
#
# 121 ARG         HB-   48 THR         MG2  5.50   (#   2320:20  Preassigned   2.63, 4.57 A)
 &rst
  ixpk= 2320, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1909,1910,
 igr2= 724, 725, 726,
 &end
#
# 121 ARG         HB+   48 THR         MG2  5.50   (#   2321:20  Preassigned   2.63, 4.57 A)
 &rst
  ixpk= 2321, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1909,1910,
 igr2= 724, 725, 726,
 &end
#
#  73 CYS          HA    8 VAL         MGY  6.00   (#   2323:20  Preassigned   4.89, 7.13 A)
 &rst
  ixpk= 2323, nxpk= 20, iat=1106,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 129, 130, 131, 133, 134, 135,
 &end
#
#  50 ILE          HA   60 LEU         MDY  6.00   (#   2324:20  Preassigned   2.11, 4.40 A)
 &rst
  ixpk= 2324, nxpk= 20, iat= 744,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#  60 LEU          HN   60 LEU         MDY  7.00   (#   2325:20  Preassigned   2.08, 4.68 A)
 &rst
  ixpk= 2325, nxpk= 20, iat= 887,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#  21 ARG          HN   60 LEU         MDY  6.00   (#   2326:20  Preassigned   4.18, 6.69 A)
 &rst
  ixpk= 2326, nxpk= 20, iat= 305,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#  18 THR          HN   60 LEU         MDY  5.50   (#   2327:20  Preassigned   2.92, 4.78 A)
 &rst
  ixpk= 2327, nxpk= 20, iat= 266,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#  60 LEU          HA   60 LEU         MDY  4.00   (#   2330:20  Preassigned   2.22, 3.81 A)
 &rst
  ixpk= 2330, nxpk= 20, iat= 889,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#  45 ALA          HA   60 LEU         MDY  6.00   (#   2331:20  Preassigned   3.63, 6.09 A)
 &rst
  ixpk= 2331, nxpk= 20, iat= 684,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#  18 THR          HA   60 LEU         MDY  4.00   (#   2332:20  Preassigned   2.34, 4.49 A)
 &rst
  ixpk= 2332, nxpk= 20, iat= 268,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#  21 ARG         HD-   60 LEU         MDY  6.00   (#   2333:20  Preassigned   2.20, 5.67 A)
 &rst
  ixpk= 2333, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 315, 316,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#   0 AMB   20-2:2334   60 LEU         MDY  4.00   (#   2334:20      Single   Ambig  )
 &rst
  ixpk= 2334, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
 igr1= 312, 313, 861, 862,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#  21 ARG         HG-   60 LEU         MDY  4.00   (#   2335:20  Preassigned   2.22, 5.96 A)
 &rst
  ixpk= 2335, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 312, 313,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#  53 ALA          MB   60 LEU         MDY  5.50   (#   2336:20  Preassigned   2.28, 4.14 A)
 &rst
  ixpk= 2336, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 792, 793, 794,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#   0 AMB   20-2:2337    0 AMB   20-1:2337  4.00   (#   2337:20      Double   Ambig  )
 &rst
  ixpk= 2337, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
 igr1= 894,1215,1216,
 igr2= 896, 897, 898, 900, 901, 902, 129, 130, 131, 133,
       134, 135,
 &end
#
#   0 AMB   20-2:2338    0 AMB   20-1:2338  5.50   (#   2338:20      Double   Ambig  )
 &rst
  ixpk= 2338, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1=1017,1018, 256, 257,
 igr2= 129, 130, 131, 133, 134, 135, 896, 897, 898, 900,
       901, 902,
 &end
#
#  58 LEU         MDX   60 LEU         MDY  4.00   (#   2339:20  Preassigned   2.16, 6.91 A)
 &rst
  ixpk= 2339, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
 igr1= 866, 867, 868, 870, 871, 872,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#  61 GLU          HN   60 LEU         MDY  5.50   (#   2340:20      Unique   2.33, 5.75 A)
 &rst
  ixpk= 2340, nxpk= 20, iat= 906,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#  18 THR          HB   60 LEU         MDY  6.00   (#   2341:20  Preassigned   4.29, 6.33 A)
 &rst
  ixpk= 2341, nxpk= 20, iat= 270,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#   0 AMB   20-2:2342   60 LEU         MDY  7.00   (#   2342:20      Single   Ambig  )
 &rst
  ixpk= 2342, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 908, 800,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#  21 ARG         HD+   60 LEU         MDY  7.00   (#   2345:20  Preassigned   2.20, 5.67 A)
 &rst
  ixpk= 2345, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 315, 316,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#   0 AMB   20-2:2346   80 LEU         MDY  4.00   (#   2346:20      Single   Ambig  )
 &rst
  ixpk= 2346, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1224,1597,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
# 104 PHE          HZ   80 LEU         MDY  5.50   (#   2347:20  Preassigned   2.55, 5.26 A)
 &rst
  ixpk= 2347, nxpk= 20, iat=1645,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
# 104 PHE          HA   80 LEU         MDY  5.50   (#   2351:20  Preassigned   3.00, 5.57 A)
 &rst
  ixpk= 2351, nxpk= 20, iat=1635,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
# 102 MET         HG-   80 LEU         MDY  5.50   (#   2352:20  Preassigned   2.46, 6.05 A)
 &rst
  ixpk= 2352, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1604,1605,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
#  80 LEU         HB+   80 LEU         MDX  5.50   (#   2354:20  Preassigned   2.36, 3.42 A)
 &rst
  ixpk= 2354, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1228,1229,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
# 104 PHE          HA   80 LEU         MDX  5.50   (#   2355:20  Preassigned   3.00, 5.57 A)
 &rst
  ixpk= 2355, nxpk= 20, iat=1635,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
#  78 LEU         MDX   80 LEU         MDX  5.50   (#   2357:20  Preassigned   2.24, 5.18 A)
 &rst
  ixpk= 2357, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1195,1196,1197,1199,1200,1201,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
#  26 TYR          HD   22 LEU         MDX  5.50   (#   2358:20  Preassigned   3.99, 7.21 A)
 &rst
  ixpk= 2358, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 416, 425,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   0 AMB   20-2:2363   48 THR         MG2  5.50   (#   2363:20      Single   Ambig  )
 &rst
  ixpk= 2363, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 765, 766, 734,
 igr2= 724, 725, 726,
 &end
#
# 124 PHE         HB-   48 THR         MG2  5.50   (#   2364:20  Preassigned   2.51, 4.28 A)
 &rst
  ixpk= 2364, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1962,1963,
 igr2= 724, 725, 726,
 &end
#
#  48 THR          HB   48 THR         MG2  5.50   (#   2365:20  Preassigned   2.46, 2.67 A)
 &rst
  ixpk= 2365, nxpk= 20, iat= 722,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 724, 725, 726,
 &end
#
#  48 THR          HN   48 THR         MG2  5.50   (#   2366:20  Preassigned   4.25, 4.52 A)
 &rst
  ixpk= 2366, nxpk= 20, iat= 718,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 724, 725, 726,
 &end
#
#   0 AMB   20-2:2367   48 THR         MG2  4.00   (#   2367:20      Single   Ambig  )
 &rst
  ixpk= 2367, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1966,1974,1968,1972,
 igr2= 724, 725, 726,
 &end
#
# 121 ARG          HA   48 THR         MG2  4.00   (#   2368:20  Preassigned   2.35, 3.16 A)
 &rst
  ixpk= 2368, nxpk= 20, iat=1907,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 724, 725, 726,
 &end
#
# 121 ARG         HG+   48 THR         MG2  4.00   (#   2369:20  Preassigned   2.34, 3.83 A)
 &rst
  ixpk= 2369, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1912,1913,
 igr2= 724, 725, 726,
 &end
#
#  52 VAL         MGY   48 THR         MG2  4.00   (#   2370:20  Preassigned   2.80, 6.10 A)
 &rst
  ixpk= 2370, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1= 778, 779, 780, 782, 783, 784,
 igr2= 724, 725, 726,
 &end
#
#  17 PRO         HB+   60 LEU         MDY  4.00   (#   2371:20      Unique   2.14, 3.68 A)
 &rst
  ixpk= 2371, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 259, 260,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
# 138 TRP         HE1   80 LEU         MDX  5.50   (#   2372:20  Preassigned   2.73, 4.90 A)
 &rst
  ixpk= 2372, nxpk= 20, iat=2198,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
#  80 LEU          HN   80 LEU         MDX  5.50   (#   2373:20  Preassigned   2.25, 4.18 A)
 &rst
  ixpk= 2373, nxpk= 20, iat=1224,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
# 104 PHE          HE   80 LEU         MDX  5.50   (#   2374:20  Preassigned   2.48, 5.75 A)
 &rst
  ixpk= 2374, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1643,1647,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
# 104 PHE          HD   80 LEU         MDX  4.00   (#   2375:20  Preassigned   3.23, 6.34 A)
 &rst
  ixpk= 2375, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1641,1649,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
#  80 LEU          HA   80 LEU         MDX  5.50   (#   2376:20  Preassigned   2.20, 3.76 A)
 &rst
  ixpk= 2376, nxpk= 20, iat=1226,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
#   0 AMB   20-2:2377   80 LEU         MDX  5.50   (#   2377:20      Single   Ambig  )
 &rst
  ixpk= 2377, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2203,2207,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
#   7 VAL         MGY   80 LEU         MDX  5.50   (#   2378:20  Preassigned   2.68, 6.60 A)
 &rst
  ixpk= 2378, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 113, 114, 115, 117, 118, 119,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
# 125 ALA          HA   52 VAL         MGY  5.50   (#   2380:20  Preassigned   2.22, 3.99 A)
 &rst
  ixpk= 2380, nxpk= 20, iat=1980,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#  20 GLU          HA   32 VAL         MGX  4.00   (#   2381:20  Preassigned   2.12, 3.72 A)
 &rst
  ixpk= 2381, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#   0 AMB   20-2:2382   32 VAL         MGX  5.50   (#   2382:20      Single   Ambig  )
 &rst
  ixpk= 2382, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.69, r4=11.44,
 igr1=  75,  76,  77, 113, 114, 115, 117, 118, 119,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
# 128 TYR          HE   58 LEU         MDY  6.00   (#   2383:20  Preassigned   2.34, 6.44 A)
 &rst
  ixpk= 2383, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=2024,2029,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#  21 ARG         HG-   58 LEU         MDY  4.00   (#   2384:20  Preassigned   2.48, 5.49 A)
 &rst
  ixpk= 2384, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 312, 313,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#  58 LEU          HN   58 LEU         MDY  7.00   (#   2385:20  Preassigned   3.74, 5.32 A)
 &rst
  ixpk= 2385, nxpk= 20, iat= 857,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#  25 ARG          HA   58 LEU         MDY  5.50   (#   2386:20      Unique   4.91, 7.25 A)
 &rst
  ixpk= 2386, nxpk= 20, iat= 386,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#  38 GLY          HN   37 LEU         MDY  5.50   (#   2387:20  Preassigned   3.80, 5.45 A)
 &rst
  ixpk= 2387, nxpk= 20, iat= 594,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#  93 MET          ME   37 LEU         MDY  5.50   (#   2390:20  Preassigned   2.44, 6.45 A)
 &rst
  ixpk= 2390, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1466,1467,1468,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#  89 ARG         HG-   37 LEU         MDY  5.50   (#   2391:20  Preassigned   2.36, 5.53 A)
 &rst
  ixpk= 2391, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1393,1394,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#  90 LEU          HG   37 LEU         MDY  5.50   (#   2392:20  Preassigned   2.29, 5.26 A)
 &rst
  ixpk= 2392, nxpk= 20, iat=1417,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#   0 AMB   20-2:2393   37 LEU         MDY  5.50   (#   2393:20      Single   Ambig  )
 &rst
  ixpk= 2393, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 579, 580, 127,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#  86 HIS         HD1   37 LEU         MDY  5.50   (#   2394:20  Preassigned   2.32, 4.57 A)
 &rst
  ixpk= 2394, nxpk= 20, iat=1343,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#  51 SER          HN   52 VAL         MGY  6.00   (#   2395:20  Preassigned   4.61, 6.21 A)
 &rst
  ixpk= 2395, nxpk= 20, iat= 761,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
# 124 PHE          HD   52 VAL         MGY  5.50   (#   2396:20  Preassigned   2.25, 5.51 A)
 &rst
  ixpk= 2396, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1966,1974,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
# 125 ALA          HN   52 VAL         MGY  5.50   (#   2398:20  Preassigned   2.63, 4.46 A)
 &rst
  ixpk= 2398, nxpk= 20, iat=1978,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#   0 AMB   20-2:2399   52 VAL         MGY  7.00   (#   2399:20      Single   Ambig  )
 &rst
  ixpk= 2399, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=2014, 798,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#  52 VAL          HN   52 VAL         MGY  4.00   (#   2400:20  Preassigned   2.15, 3.48 A)
 &rst
  ixpk= 2400, nxpk= 20, iat= 772,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#  53 ALA          HN   52 VAL         MGY  5.50   (#   2401:20  Preassigned   2.33, 4.36 A)
 &rst
  ixpk= 2401, nxpk= 20, iat= 788,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#  55 GLU          HN   52 VAL         MGY  6.00   (#   2402:20  Preassigned   5.24, 6.21 A)
 &rst
  ixpk= 2402, nxpk= 20, iat= 808,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
# 125 ALA          HA   52 VAL         MGY  5.50   (#   2404:20  Preassigned   2.22, 3.99 A)
 &rst
  ixpk= 2404, nxpk= 20, iat=1980,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#  49 ALA          HA   52 VAL         MGY  5.50   (#   2405:20  Preassigned   2.14, 4.60 A)
 &rst
  ixpk= 2405, nxpk= 20, iat= 734,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#   0 AMB   20-2:2406   52 VAL         MGY  5.50   (#   2406:20      Single   Ambig  )
 &rst
  ixpk= 2406, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1960, 720,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#  52 VAL          HA   52 VAL         MGY  4.00   (#   2407:20  Preassigned   2.36, 3.33 A)
 &rst
  ixpk= 2407, nxpk= 20, iat= 774,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
# 124 PHE         HB+   52 VAL         MGY  5.50   (#   2408:20  Preassigned   2.21, 3.92 A)
 &rst
  ixpk= 2408, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1962,1963,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
# 124 PHE         HB-   52 VAL         MGY  5.50   (#   2409:20  Preassigned   2.21, 3.92 A)
 &rst
  ixpk= 2409, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1962,1963,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
# 121 ARG         HB+   52 VAL         MGY  4.00   (#   2410:20      Unique   2.51, 5.77 A)
 &rst
  ixpk= 2410, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1909,1910,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#   0 AMB   20-2:2411   52 VAL         MGY  4.00   (#   2411:20      Single   Ambig  )
 &rst
  ixpk= 2411, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
 igr1=1982,1983,1984, 792, 793, 794,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#  48 THR         MG2   52 VAL         MGY  4.00   (#   2412:20  Preassigned   2.80, 6.10 A)
 &rst
  ixpk= 2412, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1= 724, 725, 726,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#  20 GLU          HN   32 VAL         MGX  6.00   (#   2415:20  Preassigned   4.47, 6.35 A)
 &rst
  ixpk= 2415, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#  23 LEU          HN   32 VAL         MGX  5.50   (#   2416:20  Preassigned   3.85, 5.48 A)
 &rst
  ixpk= 2416, nxpk= 20, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#   0 AMB   20-2:2417    0 AMB   20-1:2417  5.50   (#   2417:20      Double   Ambig  )
 &rst
  ixpk= 2417, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 367,2249,
 igr2= 522, 523, 524, 526, 527, 528,2258,2259,2260,2262,
      2263,2264,
 &end
#
#  32 VAL          HA   32 VAL         MGX  5.50   (#   2418:20  Preassigned   2.26, 3.26 A)
 &rst
  ixpk= 2418, nxpk= 20, iat= 518,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#   7 VAL         MGY   32 VAL         MGX  4.00   (#   2420:20  Preassigned   2.54, 6.86 A)
 &rst
  ixpk= 2420, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
 igr1= 113, 114, 115, 117, 118, 119,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#  33 GLU          HN   32 VAL         MGX  5.50   (#   2421:20  Preassigned   2.14, 4.15 A)
 &rst
  ixpk= 2421, nxpk= 20, iat= 532,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#   0 AMB   20-2:2422   32 VAL         MGX  5.50   (#   2422:20      Single   Ambig  )
 &rst
  ixpk= 2422, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 379, 380, 379, 380,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#   0 AMB   20-2:2423   58 LEU         MDY  5.50   (#   2423:20      Single   Ambig  )
 &rst
  ixpk= 2423, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 305, 384,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#  59 SER          HN   58 LEU         MDY  5.50   (#   2424:20  Preassigned   2.57, 5.29 A)
 &rst
  ixpk= 2424, nxpk= 20, iat= 876,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#  22 LEU          HA   58 LEU         MDY  5.50   (#   2426:20      Unique   2.21, 4.69 A)
 &rst
  ixpk= 2426, nxpk= 20, iat= 331,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#  25 ARG         HD-   58 LEU         MDY  5.50   (#   2427:20  Preassigned   2.36, 5.51 A)
 &rst
  ixpk= 2427, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 394, 395,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#   0 AMB   20-2:2428   58 LEU         MDY  4.00   (#   2428:20      Single   Ambig  )
 &rst
  ixpk= 2428, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
 igr1= 336, 792, 793, 794,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#  58 LEU         HB-   58 LEU         MDY  4.00   (#   2429:20      Unique   2.35, 3.38 A)
 &rst
  ixpk= 2429, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 861, 862,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#  25 ARG         HD+   58 LEU         MDY  5.50   (#   2431:20  Preassigned   2.36, 5.51 A)
 &rst
  ixpk= 2431, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 394, 395,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#  21 ARG         HB-   58 LEU         MDY  5.50   (#   2432:20  Preassigned   2.12, 3.64 A)
 &rst
  ixpk= 2432, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 309, 310,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#  90 LEU          HN   37 LEU         MDY  5.50   (#   2433:20  Preassigned   2.34, 4.82 A)
 &rst
  ixpk= 2433, nxpk= 20, iat=1410,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#  37 LEU          HN   37 LEU         MDY  5.50   (#   2434:20  Preassigned   2.41, 4.91 A)
 &rst
  ixpk= 2434, nxpk= 20, iat= 575,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#  89 ARG          HN   37 LEU         MDY  6.00   (#   2435:20  Preassigned   3.94, 5.78 A)
 &rst
  ixpk= 2435, nxpk= 20, iat=1386,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#  37 LEU          HA   37 LEU         MDY  4.00   (#   2436:20  Preassigned   2.20, 3.86 A)
 &rst
  ixpk= 2436, nxpk= 20, iat= 577,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#  90 LEU         HB+   37 LEU         MDY  5.50   (#   2438:20  Preassigned   2.37, 5.78 A)
 &rst
  ixpk= 2438, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1414,1415,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#   2 PHE          HN  142 LEU         MDY  5.50   (#   2441:20  Preassigned   4.11, 6.25 A)
 &rst
  ixpk= 2441, nxpk= 20, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2258,2259,2260,2262,2263,2264,
 &end
#
# 142 LEU          HN  142 LEU         MDY  5.50   (#   2442:20  Preassigned   3.61, 4.48 A)
 &rst
  ixpk= 2442, nxpk= 20, iat=2249,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2258,2259,2260,2262,2263,2264,
 &end
#
#   2 PHE         HB-  142 LEU         MDY  5.50   (#   2443:20  Preassigned   2.74, 5.74 A)
 &rst
  ixpk= 2443, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  25,  26,
 igr2=2258,2259,2260,2262,2263,2264,
 &end
#
#   2 PHE         HB+  142 LEU         MDY  5.50   (#   2444:20  Preassigned   2.74, 5.74 A)
 &rst
  ixpk= 2444, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  25,  26,
 igr2=2258,2259,2260,2262,2263,2264,
 &end
#
# 141 ALA          HN  142 LEU         MDY  5.50   (#   2445:20  Preassigned   5.55, 6.81 A)
 &rst
  ixpk= 2445, nxpk= 20, iat=2239,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2258,2259,2260,2262,2263,2264,
 &end
#
# 140 GLN          HN  142 LEU         MDY  5.50   (#   2446:20  Preassigned   5.55, 7.60 A)
 &rst
  ixpk= 2446, nxpk= 20, iat=2222,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2258,2259,2260,2262,2263,2264,
 &end
#
#   2 PHE          HD  142 LEU         MDY  5.50   (#   2447:20  Preassigned   2.34, 5.78 A)
 &rst
  ixpk= 2447, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  29,  37,
 igr2=2258,2259,2260,2262,2263,2264,
 &end
#
# 142 LEU          HA  142 LEU         MDY  2.80   (#   2448:20  Preassigned   2.16, 3.85 A)
 &rst
  ixpk= 2448, nxpk= 20, iat=2251,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=2258,2259,2260,2262,2263,2264,
 &end
#
# 142 LEU          HG  142 LEU         MDY  5.50   (#   2449:20  Preassigned   2.41, 2.66 A)
 &rst
  ixpk= 2449, nxpk= 20, iat=2256,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2258,2259,2260,2262,2263,2264,
 &end
#
# 142 LEU         HB+  142 LEU         MDY  4.00   (#   2450:20  Preassigned   2.39, 3.32 A)
 &rst
  ixpk= 2450, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=2253,2254,
 igr2=2258,2259,2260,2262,2263,2264,
 &end
#
#  78 LEU         MDX  142 LEU         MDY  5.50   (#   2451:20  Preassigned   2.43, 6.03 A)
 &rst
  ixpk= 2451, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1195,1196,1197,1199,1200,1201,
 igr2=2258,2259,2260,2262,2263,2264,
 &end
#
# 130 LEU          HN  130 LEU         MDY  5.50   (#   2452:20  Preassigned   4.13, 5.09 A)
 &rst
  ixpk= 2452, nxpk= 20, iat=2049,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2058,2059,2060,2062,2063,2064,
 &end
#
# 130 LEU          HA  130 LEU         MDY  2.80   (#   2453:20  Preassigned   2.22, 3.80 A)
 &rst
  ixpk= 2453, nxpk= 20, iat=2051,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=2058,2059,2060,2062,2063,2064,
 &end
#
#   2 PHE          HN   30 LEU         MDY  5.50   (#   2454:20  Preassigned   3.40, 6.01 A)
 &rst
  ixpk= 2454, nxpk= 20, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 484, 485, 486, 488, 489, 490,
 &end
#
#  30 LEU          HA   30 LEU         MDY  4.00   (#   2455:20  Preassigned   2.19, 3.75 A)
 &rst
  ixpk= 2455, nxpk= 20, iat= 477,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 484, 485, 486, 488, 489, 490,
 &end
#
#  29 GLU         HG-   30 LEU         MDY  5.50   (#   2456:20  Preassigned   2.20, 6.78 A)
 &rst
  ixpk= 2456, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 467, 468,
 igr2= 484, 485, 486, 488, 489, 490,
 &end
#
#  30 LEU         HB-   30 LEU         MDY  4.00   (#   2458:20  Preassigned   2.35, 3.37 A)
 &rst
  ixpk= 2458, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 479, 480,
 igr2= 484, 485, 486, 488, 489, 490,
 &end
#
# 104 PHE          HE    7 VAL         MGX  5.50   (#   2460:20  Preassigned   2.15, 4.90 A)
 &rst
  ixpk= 2460, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1643,1647,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
# 104 PHE          HD    7 VAL         MGX  5.50   (#   2461:20  Preassigned   2.90, 6.44 A)
 &rst
  ixpk= 2461, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1641,1649,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
# 104 PHE         HB-    7 VAL         MGX  5.50   (#   2463:20      Unique   4.76, 7.82 A)
 &rst
  ixpk= 2463, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1637,1638,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
#   7 VAL          HB    7 VAL         MGX  4.00   (#   2464:20  Preassigned   2.36, 2.67 A)
 &rst
  ixpk= 2464, nxpk= 20, iat= 111,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
#  82 MET          ME    7 VAL         MGX  4.00   (#   2465:20  Preassigned   2.28, 4.97 A)
 &rst
  ixpk= 2465, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1=1268,1269,1270,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
#  80 LEU         MDX    7 VAL         MGX  6.00   (#   2466:20  Preassigned   2.68, 6.60 A)
 &rst
  ixpk= 2466, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
 igr1=1233,1234,1235,1237,1238,1239,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
#   7 VAL          HN    7 VAL         MGX  4.00   (#   2467:20  Preassigned   2.46, 4.21 A)
 &rst
  ixpk= 2467, nxpk= 20, iat= 107,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
#  20 GLU          HN    7 VAL         MGX  6.00   (#   2468:20  Preassigned   2.45, 4.69 A)
 &rst
  ixpk= 2468, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
#  19 ALA          HN    7 VAL         MGX  5.50   (#   2469:20  Preassigned   3.95, 5.72 A)
 &rst
  ixpk= 2469, nxpk= 20, iat= 280,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
#   0 AMB   20-2:2470    7 VAL         MGX  5.50   (#   2470:20      Single   Ambig  )
 &rst
  ixpk= 2470, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1245,1226,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
#   7 VAL          HA    7 VAL         MGX  4.00   (#   2471:20  Preassigned   2.33, 3.16 A)
 &rst
  ixpk= 2471, nxpk= 20, iat= 109,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
#  16 SER          HA    7 VAL         MGX  5.50   (#   2472:20  Preassigned   2.28, 3.91 A)
 &rst
  ixpk= 2472, nxpk= 20, iat= 243,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
#  16 SER         HB-    7 VAL         MGX  4.00   (#   2473:20  Preassigned   2.14, 5.06 A)
 &rst
  ixpk= 2473, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 245, 246,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
#  20 GLU         HB-    7 VAL         MGX  5.50   (#   2474:20      Unique   2.48, 5.33 A)
 &rst
  ixpk= 2474, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 294, 295,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
#  41 VAL          HN   41 VAL         MGY  4.00   (#   2476:20  Preassigned   1.86, 3.68 A)
 &rst
  ixpk= 2476, nxpk= 20, iat= 630,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 636, 637, 638, 640, 641, 642,
 &end
#
#  67 GLN          HN   41 VAL         MGY  4.00   (#   2477:20  Preassigned   2.40, 4.20 A)
 &rst
  ixpk= 2477, nxpk= 20, iat= 990,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 636, 637, 638, 640, 641, 642,
 &end
#
#  42 GLY          HN   41 VAL         MGY  5.50   (#   2478:20  Preassigned   2.83, 4.42 A)
 &rst
  ixpk= 2478, nxpk= 20, iat= 646,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 636, 637, 638, 640, 641, 642,
 &end
#
#  40 LEU          HN   41 VAL         MGY  5.50   (#   2479:20  Preassigned   3.86, 6.59 A)
 &rst
  ixpk= 2479, nxpk= 20, iat= 611,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 636, 637, 638, 640, 641, 642,
 &end
#
#  66 ARG          HA   41 VAL         MGY  5.50   (#   2480:20  Preassigned   2.21, 3.88 A)
 &rst
  ixpk= 2480, nxpk= 20, iat= 968,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 636, 637, 638, 640, 641, 642,
 &end
#
#  40 LEU          HA   41 VAL         MGY  5.50   (#   2481:20  Preassigned   3.86, 5.96 A)
 &rst
  ixpk= 2481, nxpk= 20, iat= 613,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 636, 637, 638, 640, 641, 642,
 &end
#
#  41 VAL          HA   41 VAL         MGY  4.00   (#   2483:20  Preassigned   2.48, 3.29 A)
 &rst
  ixpk= 2483, nxpk= 20, iat= 632,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 636, 637, 638, 640, 641, 642,
 &end
#
#  67 GLN         HG-   41 VAL         MGY  5.50   (#   2484:20  Preassigned   2.63, 6.73 A)
 &rst
  ixpk= 2484, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 997, 998,
 igr2= 636, 637, 638, 640, 641, 642,
 &end
#
#  67 GLN         HG+   41 VAL         MGY  6.00   (#   2485:20  Preassigned   2.63, 6.73 A)
 &rst
  ixpk= 2485, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 997, 998,
 igr2= 636, 637, 638, 640, 641, 642,
 &end
#
#  41 VAL          HB   41 VAL         MGY  2.80   (#   2486:20  Preassigned   2.40, 2.66 A)
 &rst
  ixpk= 2486, nxpk= 20, iat= 634,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 636, 637, 638, 640, 641, 642,
 &end
#
#  66 ARG         HB+   41 VAL         MGY  5.50   (#   2487:20  Preassigned   3.45, 5.79 A)
 &rst
  ixpk= 2487, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 970, 971,
 igr2= 636, 637, 638, 640, 641, 642,
 &end
#
#  65 ALA          MB   41 VAL         MGY  5.50   (#   2488:20  Preassigned   3.65, 6.09 A)
 &rst
  ixpk= 2488, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 960, 961, 962,
 igr2= 636, 637, 638, 640, 641, 642,
 &end
#
#  31 LYS          HN   30 LEU         MDY  5.50   (#   2501:20  Preassigned   2.19, 4.84 A)
 &rst
  ixpk= 2501, nxpk= 20, iat= 494,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 484, 485, 486, 488, 489, 490,
 &end
#
#   3 ASN        HD2-   30 LEU         MDY  5.50   (#   2502:20  Preassigned   2.63, 7.28 A)
 &rst
  ixpk= 2502, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  50,  51,
 igr2= 484, 485, 486, 488, 489, 490,
 &end
#
#  29 GLU         HG+   30 LEU         MDY  5.50   (#   2503:20  Preassigned   2.20, 6.78 A)
 &rst
  ixpk= 2503, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 467, 468,
 igr2= 484, 485, 486, 488, 489, 490,
 &end
#
#   0 AMB   20-2:2504   30 LEU         MDY  2.80   (#   2504:20      Single   Ambig  )
 &rst
  ixpk= 2504, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=  79,  80, 479, 480,
 igr2= 484, 485, 486, 488, 489, 490,
 &end
#
#  30 LEU          HN   30 LEU         MDY  5.50   (#   2505:20  Preassigned   3.09, 4.98 A)
 &rst
  ixpk= 2505, nxpk= 20, iat= 475,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 484, 485, 486, 488, 489, 490,
 &end
#
#   3 ASN          HA   30 LEU         MDY  4.00   (#   2506:20  Preassigned   2.21, 5.10 A)
 &rst
  ixpk= 2506, nxpk= 20, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 484, 485, 486, 488, 489, 490,
 &end
#
#  27 HIS         HB+   30 LEU         MDY  5.50   (#   2507:20  Preassigned   2.34, 4.98 A)
 &rst
  ixpk= 2507, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 433, 434,
 igr2= 484, 485, 486, 488, 489, 490,
 &end
#
#  27 HIS         HB-   30 LEU         MDY  5.50   (#   2508:20  Preassigned   2.34, 4.98 A)
 &rst
  ixpk= 2508, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 433, 434,
 igr2= 484, 485, 486, 488, 489, 490,
 &end
#
#  81 THR          HN  103 LEU         MDY  5.50   (#   2509:20  Preassigned   3.93, 6.49 A)
 &rst
  ixpk= 2509, nxpk= 20, iat=1243,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#  36 GLY          HN   35 ALA          MB  4.00   (#   2512:20  Preassigned   2.15, 3.17 A)
 &rst
  ixpk= 2512, nxpk= 20, iat= 568,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 562, 563, 564,
 &end
#
#  35 ALA          HN   35 ALA          MB  5.50   (#   2513:20  Preassigned   2.97, 3.65 A)
 &rst
  ixpk= 2513, nxpk= 20, iat= 558,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 562, 563, 564,
 &end
#
#  66 ARG          HE   35 ALA          MB  5.50   (#   2514:20  Preassigned   2.34, 4.61 A)
 &rst
  ixpk= 2514, nxpk= 20, iat= 979,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 562, 563, 564,
 &end
#
# 128 TYR          HD   18 THR         MG2  5.50   (#   2515:20  Preassigned   2.22, 4.39 A)
 &rst
  ixpk= 2515, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2022,2031,
 igr2= 272, 273, 274,
 &end
#
#   0 AMB   20-2:2516    0 AMB   20-1:2516  5.50   (#   2516:20      Double   Ambig  )
 &rst
  ixpk= 2516, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1009, 790,
 igr2= 562, 563, 564, 272, 273, 274,
 &end
#
#   0 AMB   20-2:2517    0 AMB   20-1:2517  2.80   (#   2517:20      Double   Ambig  )
 &rst
  ixpk= 2517, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
 igr1=2077,2078,2079,2081,2082,2083,1020,1021,1022,
 igr2= 272, 273, 274, 562, 563, 564,
 &end
#
#   8 VAL         MGY   35 ALA          MB  5.50   (#   2518:20  Preassigned   2.23, 4.83 A)
 &rst
  ixpk= 2518, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 129, 130, 131, 133, 134, 135,
 igr2= 562, 563, 564,
 &end
#
#   6 LEU         MDX   35 ALA          MB  5.50   (#   2519:20  Preassigned   2.36, 4.66 A)
 &rst
  ixpk= 2519, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2= 562, 563, 564,
 &end
#
#   6 LEU         MDY   35 ALA          MB  4.00   (#   2520:20  Preassigned   2.36, 4.66 A)
 &rst
  ixpk= 2520, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2= 562, 563, 564,
 &end
#
#  35 ALA          HA   35 ALA          MB  4.00   (#   2521:20  Preassigned   2.44, 2.72 A)
 &rst
  ixpk= 2521, nxpk= 20, iat= 560,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 562, 563, 564,
 &end
#
# 104 PHE          HN  103 LEU         MDY  5.50   (#   2522:20  Preassigned   2.25, 4.61 A)
 &rst
  ixpk= 2522, nxpk= 20, iat=1633,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#  84 LYS          HN  103 LEU         MDY  5.50   (#   2523:20  Preassigned   2.94, 4.60 A)
 &rst
  ixpk= 2523, nxpk= 20, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
# 112 GLU         HG+  103 LEU         MDY  6.00   (#   2525:20  Preassigned   2.86, 6.32 A)
 &rst
  ixpk= 2525, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1760,1761,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#  84 LYS         HB+  103 LEU         MDY  5.50   (#   2526:20  Preassigned   2.68, 5.46 A)
 &rst
  ixpk= 2526, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1293,1294,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
# 103 LEU         HB-  103 LEU         MDY  4.00   (#   2527:20  Preassigned   2.38, 3.33 A)
 &rst
  ixpk= 2527, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1618,1619,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#  87 ILE         QD1  103 LEU         MDY  4.00   (#   2528:20  Preassigned   2.85, 5.47 A)
 &rst
  ixpk= 2528, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1=1365,1366,1367,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
# 103 LEU          HN  103 LEU         MDY  5.50   (#   2530:20  Preassigned   2.47, 5.15 A)
 &rst
  ixpk= 2530, nxpk= 20, iat=1614,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#  84 LYS          HA  103 LEU         MDY  4.00   (#   2531:20  Preassigned   2.55, 4.50 A)
 &rst
  ixpk= 2531, nxpk= 20, iat=1291,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#   2 PHE         HB-   78 LEU         MDY  5.50   (#   2532:20  Preassigned   2.60, 5.18 A)
 &rst
  ixpk= 2532, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  25,  26,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
# 128 TYR          HD  129 THR         MG2  5.50   (#   2533:20  Preassigned   4.33, 7.39 A)
 &rst
  ixpk= 2533, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2022,2031,
 igr2=2041,2042,2043,
 &end
#
# 128 TYR          HD   18 THR         MG2  5.50   (#   2534:20  Preassigned   2.22, 4.39 A)
 &rst
  ixpk= 2534, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2022,2031,
 igr2= 272, 273, 274,
 &end
#
#  18 THR          HN   18 THR         MG2  4.00   (#   2535:20  Preassigned   4.09, 4.38 A)
 &rst
  ixpk= 2535, nxpk= 20, iat= 266,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 272, 273, 274,
 &end
#
#  18 THR          HB   18 THR         MG2  4.00   (#   2537:20  Preassigned   2.37, 2.66 A)
 &rst
  ixpk= 2537, nxpk= 20, iat= 270,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 272, 273, 274,
 &end
#
#   0 AMB   20-2:2538   18 THR         MG2  5.50   (#   2538:20      Single   Ambig  )
 &rst
  ixpk= 2538, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 734,2070,
 igr2= 272, 273, 274,
 &end
#
#   0 AMB   20-2:2539   18 THR         MG2  4.00   (#   2539:20      Single   Ambig  )
 &rst
  ixpk= 2539, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=2016, 268,
 igr2= 272, 273, 274,
 &end
#
#   0 AMB   20-2:2541   18 THR         MG2  4.00   (#   2541:20      Single   Ambig  )
 &rst
  ixpk= 2541, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 792, 793, 794, 336,
 igr2= 272, 273, 274,
 &end
#
# 131 LEU         MDX   18 THR         MG2  2.80   (#   2542:20  Preassigned   2.38, 5.00 A)
 &rst
  ixpk= 2542, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=2077,2078,2079,2081,2082,2083,
 igr2= 272, 273, 274,
 &end
#
#  60 LEU         MDY   18 THR         MG2  4.00   (#   2543:20  Preassigned   2.56, 6.30 A)
 &rst
  ixpk= 2543, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1= 896, 897, 898, 900, 901, 902,
 igr2= 272, 273, 274,
 &end
#
#  17 PRO         HB-   18 THR         MG2  6.00   (#   2544:20  Preassigned   5.21, 6.98 A)
 &rst
  ixpk= 2544, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 259, 260,
 igr2= 272, 273, 274,
 &end
#
#  22 LEU         MDY   18 THR         MG2  4.00   (#   2545:20  Preassigned   2.28, 4.84 A)
 &rst
  ixpk= 2545, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2= 272, 273, 274,
 &end
#
#  19 ALA          HN   18 THR         MG2  5.50   (#   2546:20  Preassigned   3.55, 4.56 A)
 &rst
  ixpk= 2546, nxpk= 20, iat= 280,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 272, 273, 274,
 &end
#
#   0 AMB   20-2:2548   35 ALA          MB  4.00   (#   2548:20      Single   Ambig  )
 &rst
  ixpk= 2548, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
 igr1= 129, 130, 131, 133, 134, 135,1094,1095,1096,1098,
      1099,1100,
 igr2= 562, 563, 564,
 &end
#
#  87 ILE          HN  103 LEU         MDY  5.50   (#   2549:20  Preassigned   4.05, 6.14 A)
 &rst
  ixpk= 2549, nxpk= 20, iat=1352,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#  78 LEU          HA   78 LEU         MDY  2.80   (#   2550:20  Preassigned   2.13, 3.79 A)
 &rst
  ixpk= 2550, nxpk= 20, iat=1188,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
# 103 LEU          HA  103 LEU         MDY  4.00   (#   2551:20  Preassigned   2.16, 3.96 A)
 &rst
  ixpk= 2551, nxpk= 20, iat=1616,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#   0 AMB   20-2:2552   78 LEU         MDY  5.50   (#   2552:20      Single   Ambig  )
 &rst
  ixpk= 2552, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1604,1605,1601,1602,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#  80 LEU         HB+   78 LEU         MDY  5.50   (#   2553:20  Preassigned   4.68, 7.20 A)
 &rst
  ixpk= 2553, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1228,1229,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
# 101 VAL          HA   78 LEU         MDY  5.50   (#   2554:20  Preassigned   4.37, 6.70 A)
 &rst
  ixpk= 2554, nxpk= 20, iat=1583,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
# 133 ARG          HN  129 THR         MG2  5.50   (#   2556:20  Preassigned   4.32, 5.27 A)
 &rst
  ixpk= 2556, nxpk= 20, iat=2102,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=2041,2042,2043,
 &end
#
# 129 THR          HN  129 THR         MG2  5.50   (#   2557:20  Preassigned   4.39, 4.50 A)
 &rst
  ixpk= 2557, nxpk= 20, iat=2035,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=2041,2042,2043,
 &end
#
# 130 LEU          HN  129 THR         MG2  5.50   (#   2558:20  Preassigned   3.85, 4.60 A)
 &rst
  ixpk= 2558, nxpk= 20, iat=2049,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=2041,2042,2043,
 &end
#
# 129 THR          HB  129 THR         MG2  2.80   (#   2560:20  Preassigned   2.46, 2.67 A)
 &rst
  ixpk= 2560, nxpk= 20, iat=2039,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=2041,2042,2043,
 &end
#
# 129 THR          HA  129 THR         MG2  4.00   (#   2561:20  Preassigned   2.49, 3.11 A)
 &rst
  ixpk= 2561, nxpk= 20, iat=2037,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=2041,2042,2043,
 &end
#
# 133 ARG         HD-  129 THR         MG2  5.50   (#   2562:20  Preassigned   3.45, 6.40 A)
 &rst
  ixpk= 2562, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2112,2113,
 igr2=2041,2042,2043,
 &end
#
# 132 GLU         HB-  129 THR         MG2  5.50   (#   2566:20  Preassigned   3.99, 5.67 A)
 &rst
  ixpk= 2566, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2091,2092,
 igr2=2041,2042,2043,
 &end
#
# 147 VAL          HN  147 VAL         MGY  7.00   (#   2570:20  Preassigned   1.84, 3.60 A)
 &rst
  ixpk= 2570, nxpk= 20, iat=2324,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2=2330,2331,2332,2334,2335,2336,
 &end
#
#   8 VAL          HN    8 VAL         MGX  5.50   (#   2571:20  Preassigned   2.50, 4.16 A)
 &rst
  ixpk= 2571, nxpk= 20, iat= 123,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 129, 130, 131, 133, 134, 135,
 &end
#
#  16 SER         HB-    8 VAL         MGX  5.50   (#   2573:20      Unique   5.40, 7.37 A)
 &rst
  ixpk= 2573, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 245, 246,
 igr2= 129, 130, 131, 133, 134, 135,
 &end
#
# 102 MET          HN   78 LEU         MDY  6.00   (#   2574:20  Preassigned   4.35, 6.51 A)
 &rst
  ixpk= 2574, nxpk= 20, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#  78 LEU         HB+   78 LEU         MDY  5.50   (#   2575:20  Preassigned   2.39, 3.37 A)
 &rst
  ixpk= 2575, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1190,1191,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#  78 LEU          HG   78 LEU         MDY  4.00   (#   2576:20  Preassigned   2.34, 2.65 A)
 &rst
  ixpk= 2576, nxpk= 20, iat=1193,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#  80 LEU         MDY   78 LEU         MDY  4.00   (#   2577:20  Preassigned   2.24, 5.18 A)
 &rst
  ixpk= 2577, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
 igr1=1233,1234,1235,1237,1238,1239,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#  80 LEU         MDX   78 LEU         MDY  6.00   (#   2578:20  Preassigned   2.24, 5.18 A)
 &rst
  ixpk= 2578, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
 igr1=1233,1234,1235,1237,1238,1239,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#  79 ILE          HN   78 LEU         MDY  5.50   (#   2579:20  Preassigned   2.06, 4.37 A)
 &rst
  ixpk= 2579, nxpk= 20, iat=1205,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#  78 LEU          HN   78 LEU         MDY  5.50   (#   2580:20  Preassigned   4.82, 5.58 A)
 &rst
  ixpk= 2580, nxpk= 20, iat=1186,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#   2 PHE          HD   78 LEU         MDY  5.50   (#   2581:20  Preassigned   2.78, 5.35 A)
 &rst
  ixpk= 2581, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  29,  37,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
# 100 LYS         HB+   78 LEU         MDY  5.50   (#   2582:20  Preassigned   2.48, 6.24 A)
 &rst
  ixpk= 2582, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1563,1564,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#  78 LEU         HB-   78 LEU         MDY  4.00   (#   2583:20  Preassigned   2.39, 3.37 A)
 &rst
  ixpk= 2583, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1190,1191,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#  79 ILE        HG1-    6 LEU         MDY  5.50   (#   2585:20  Preassigned   2.19, 5.92 A)
 &rst
  ixpk= 2585, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1215,1216,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
# 116 PRO         HG-  123 THR         MG2  5.50   (#   2587:20  Preassigned   2.36, 6.50 A)
 &rst
  ixpk= 2587, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1817,1818,
 igr2=1950,1951,1952,
 &end
#
#  66 ARG          HA   41 VAL         MGX  6.00   (#   2588:20  Preassigned   2.21, 3.88 A)
 &rst
  ixpk= 2588, nxpk= 20, iat= 968,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 636, 637, 638, 640, 641, 642,
 &end
#
#  43 LYS          HN   41 VAL         MGX  5.50   (#   2589:20  Preassigned   5.29, 6.16 A)
 &rst
  ixpk= 2589, nxpk= 20, iat= 653,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 636, 637, 638, 640, 641, 642,
 &end
#
#  41 VAL          HN   41 VAL         MGX  5.50   (#   2590:20  Preassigned   1.86, 3.68 A)
 &rst
  ixpk= 2590, nxpk= 20, iat= 630,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 636, 637, 638, 640, 641, 642,
 &end
#
#  42 GLY         HA-   41 VAL         MGX  5.50   (#   2591:20  Preassigned   3.53, 5.74 A)
 &rst
  ixpk= 2591, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 648, 649,
 igr2= 636, 637, 638, 640, 641, 642,
 &end
#
#  41 VAL          HA   41 VAL         MGX  4.00   (#   2592:20  Preassigned   2.48, 3.29 A)
 &rst
  ixpk= 2592, nxpk= 20, iat= 632,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 636, 637, 638, 640, 641, 642,
 &end
#
#  41 VAL          HB   41 VAL         MGX  5.50   (#   2593:20  Preassigned   2.40, 2.66 A)
 &rst
  ixpk= 2593, nxpk= 20, iat= 634,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 636, 637, 638, 640, 641, 642,
 &end
#
#  67 GLN          HN   41 VAL         MGX  5.50   (#   2594:20  Preassigned   2.40, 4.20 A)
 &rst
  ixpk= 2594, nxpk= 20, iat= 990,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 636, 637, 638, 640, 641, 642,
 &end
#
#  66 ARG          HA   41 VAL         MGX  5.50   (#   2595:20  Preassigned   2.21, 3.88 A)
 &rst
  ixpk= 2595, nxpk= 20, iat= 968,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 636, 637, 638, 640, 641, 642,
 &end
#
#  50 ILE          HN   52 VAL         MGX  5.50   (#   2596:20  Preassigned   5.06, 7.21 A)
 &rst
  ixpk= 2596, nxpk= 20, iat= 742,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
# 147 VAL          HA  147 VAL         MGY  5.50   (#   2597:20  Preassigned   2.37, 3.48 A)
 &rst
  ixpk= 2597, nxpk= 20, iat=2326,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2330,2331,2332,2334,2335,2336,
 &end
#
#  37 LEU          HN    8 VAL         MGX  5.50   (#   2598:20  Preassigned   2.95, 5.38 A)
 &rst
  ixpk= 2598, nxpk= 20, iat= 575,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 129, 130, 131, 133, 134, 135,
 &end
#
#  37 LEU         MDX    8 VAL         MGX  4.00   (#   2600:20  Preassigned   2.52, 6.84 A)
 &rst
  ixpk= 2600, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
 igr1= 584, 585, 586, 588, 589, 590,
 igr2= 129, 130, 131, 133, 134, 135,
 &end
#
#  35 ALA          HN    6 LEU         MDY  5.50   (#   2601:20  Preassigned   3.58, 5.49 A)
 &rst
  ixpk= 2601, nxpk= 20, iat= 558,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#  76 TYR          HD    6 LEU         MDY  5.50   (#   2602:20  Preassigned   2.31, 4.68 A)
 &rst
  ixpk= 2602, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1161,1170,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#  33 GLU         HB-    6 LEU         MDY  5.50   (#   2603:20  Preassigned   2.38, 5.12 A)
 &rst
  ixpk= 2603, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 536, 537,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#   6 LEU         HB-    6 LEU         MDY  5.50   (#   2604:20  Preassigned   2.44, 3.32 A)
 &rst
  ixpk= 2604, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  92,  93,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#  68 ILE         QD1    6 LEU         MDY  5.50   (#   2605:20  Preassigned   2.25, 4.68 A)
 &rst
  ixpk= 2605, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1020,1021,1022,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#  79 ILE         QG2    6 LEU         MDY  5.50   (#   2606:20  Preassigned   2.37, 5.73 A)
 &rst
  ixpk= 2606, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1211,1212,1213,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#   6 LEU         HB+    6 LEU         MDY  5.50   (#   2607:20  Preassigned   2.44, 3.32 A)
 &rst
  ixpk= 2607, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  92,  93,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#   7 VAL          HN    6 LEU         MDY  4.00   (#   2608:20  Preassigned   2.08, 4.18 A)
 &rst
  ixpk= 2608, nxpk= 20, iat= 107,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#  33 GLU          HN    6 LEU         MDY  5.50   (#   2609:20  Preassigned   3.49, 5.86 A)
 &rst
  ixpk= 2609, nxpk= 20, iat= 532,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#  76 TYR          HE    6 LEU         MDY  5.50   (#   2610:20  Preassigned   2.83, 4.86 A)
 &rst
  ixpk= 2610, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1163,1168,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#  34 SER          HA    6 LEU         MDY  5.50   (#   2611:20  Preassigned   2.26, 4.65 A)
 &rst
  ixpk= 2611, nxpk= 20, iat= 549,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#   6 LEU          HA    6 LEU         MDY  4.00   (#   2613:20  Preassigned   2.17, 3.88 A)
 &rst
  ixpk= 2613, nxpk= 20, iat=  90,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#  33 GLU         HB+    6 LEU         MDY  5.50   (#   2614:20  Preassigned   2.38, 5.12 A)
 &rst
  ixpk= 2614, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 536, 537,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#  72 LEU         HB+    6 LEU         MDY  6.00   (#   2615:20  Preassigned   2.74, 5.40 A)
 &rst
  ixpk= 2615, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1089,1090,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#   0 AMB   20-2:2616    6 LEU         MDY  4.00   (#   2616:20      Single   Ambig  )
 &rst
  ixpk= 2616, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 562, 563, 564,1094,1095,1096,1098,1099,1100,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#  35 ALA          HN    6 LEU         MDY  6.00   (#   2618:20  Preassigned   3.58, 5.49 A)
 &rst
  ixpk= 2618, nxpk= 20, iat= 558,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#   6 LEU          HN    6 LEU         MDY  5.50   (#   2619:20  Preassigned   4.82, 5.50 A)
 &rst
  ixpk= 2619, nxpk= 20, iat=  88,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
# 123 THR          HB  123 THR         MG2  4.00   (#   2620:20  Preassigned   2.39, 2.66 A)
 &rst
  ixpk= 2620, nxpk= 20, iat=1948,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=1950,1951,1952,
 &end
#
#   0 AMB   20-2:2622  123 THR         MG2  4.00   (#   2622:20      Single   Ambig  )
 &rst
  ixpk= 2622, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1876,1877,1876,1877,
 igr2=1950,1951,1952,
 &end
#
# 119 LYS          HN  123 THR         MG2  6.00   (#   2623:20  Preassigned   4.53, 6.06 A)
 &rst
  ixpk= 2623, nxpk= 20, iat=1872,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1950,1951,1952,
 &end
#
#   0 AMB   20-2:2624  123 THR         MG2  5.50   (#   2624:20      Single   Ambig  )
 &rst
  ixpk= 2624, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1944,1988,
 igr2=1950,1951,1952,
 &end
#
#   0 AMB   20-2:2626  123 THR         MG2  2.80   (#   2626:20      Single   Ambig  )
 &rst
  ixpk= 2626, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1823,1946,
 igr2=1950,1951,1952,
 &end
#
# 119 LYS         HE+  123 THR         MG2  5.50   (#   2627:20  Preassigned   2.43, 4.80 A)
 &rst
  ixpk= 2627, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1885,1886,
 igr2=1950,1951,1952,
 &end
#
# 119 LYS         HD-  123 THR         MG2  4.00   (#   2628:20  Preassigned   2.34, 4.71 A)
 &rst
  ixpk= 2628, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1882,1883,
 igr2=1950,1951,1952,
 &end
#
# 116 PRO         HG-  123 THR         MG2  6.00   (#   2629:20  Preassigned   2.36, 6.50 A)
 &rst
  ixpk= 2629, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1817,1818,
 igr2=1950,1951,1952,
 &end
#
#  42 GLY          HN   41 VAL         MGX  5.50   (#   2630:20  Preassigned   2.83, 4.42 A)
 &rst
  ixpk= 2630, nxpk= 20, iat= 646,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 636, 637, 638, 640, 641, 642,
 &end
#
# 116 PRO          HA  127 VAL         MGX  6.00   (#   2634:20  Preassigned   3.35, 5.26 A)
 &rst
  ixpk= 2634, nxpk= 20, iat=1823,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=2004,2005,2006,2008,2009,2010,
 &end
#
# 127 VAL          HA  127 VAL         MGX  4.00   (#   2635:20  Preassigned   2.39, 3.25 A)
 &rst
  ixpk= 2635, nxpk= 20, iat=2000,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2=2004,2005,2006,2008,2009,2010,
 &end
#
#   0 AMB   20-2:2638  127 VAL         MGX  5.50   (#   2638:20      Single   Ambig  )
 &rst
  ixpk= 2638, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1960,1788,1789,
 igr2=2004,2005,2006,2008,2009,2010,
 &end
#
# 124 PHE          HD   52 VAL         MGX  5.50   (#   2639:20  Preassigned   2.25, 5.51 A)
 &rst
  ixpk= 2639, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1966,1974,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#  37 LEU          HN    8 VAL         MGX  5.50   (#   2646:20  Preassigned   2.95, 5.38 A)
 &rst
  ixpk= 2646, nxpk= 20, iat= 575,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 129, 130, 131, 133, 134, 135,
 &end
#
#  98 ARG          HA  101 VAL         MGY  5.50   (#   2649:20  Preassigned   2.39, 4.38 A)
 &rst
  ixpk= 2649, nxpk= 20, iat=1530,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
# 124 PHE          HD  123 THR         MG2  5.50   (#   2650:20  Preassigned   4.97, 7.21 A)
 &rst
  ixpk= 2650, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1966,1974,
 igr2=1950,1951,1952,
 &end
#
#  52 VAL          HA   52 VAL         MGX  5.50   (#   2653:20  Preassigned   2.36, 3.33 A)
 &rst
  ixpk= 2653, nxpk= 20, iat= 774,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
# 125 ALA          HN   52 VAL         MGX  5.50   (#   2656:20  Preassigned   2.63, 4.46 A)
 &rst
  ixpk= 2656, nxpk= 20, iat=1978,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#  56 HIS         HD2   52 VAL         MGX  5.50   (#   2658:20  Preassigned   2.45, 5.84 A)
 &rst
  ixpk= 2658, nxpk= 20, iat= 836,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#  51 SER          HA   52 VAL         MGX  5.50   (#   2660:20  Preassigned   5.21, 6.57 A)
 &rst
  ixpk= 2660, nxpk= 20, iat= 763,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#  51 SER         HB-   52 VAL         MGX  6.00   (#   2661:20  Preassigned   2.84, 5.35 A)
 &rst
  ixpk= 2661, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 765, 766,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
# 128 TYR         HB+   52 VAL         MGX  5.50   (#   2662:20  Preassigned   2.38, 4.86 A)
 &rst
  ixpk= 2662, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2018,2019,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#  52 VAL          HN   52 VAL         MGX  5.50   (#   2664:20  Preassigned   2.15, 3.48 A)
 &rst
  ixpk= 2664, nxpk= 20, iat= 772,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#  53 ALA          HN   52 VAL         MGX  5.50   (#   2665:20  Preassigned   2.33, 4.36 A)
 &rst
  ixpk= 2665, nxpk= 20, iat= 788,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
# 125 ALA          HA   52 VAL         MGX  4.00   (#   2666:20  Preassigned   2.22, 3.99 A)
 &rst
  ixpk= 2666, nxpk= 20, iat=1980,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#  52 VAL          HA   52 VAL         MGX  4.00   (#   2667:20  Preassigned   2.36, 3.33 A)
 &rst
  ixpk= 2667, nxpk= 20, iat= 774,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
# 128 TYR         HB-   52 VAL         MGX  5.50   (#   2668:20  Preassigned   2.38, 4.86 A)
 &rst
  ixpk= 2668, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2018,2019,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
# 128 TYR          HD   52 VAL         MGX  5.50   (#   2669:20  Preassigned   2.32, 5.94 A)
 &rst
  ixpk= 2669, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2022,2031,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
# 101 VAL          HA  101 VAL         MGY  4.00   (#   2677:20  Preassigned   2.35, 3.18 A)
 &rst
  ixpk= 2677, nxpk= 20, iat=1583,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#  79 ILE         QG2  101 VAL         MGY  4.00   (#   2679:20  Preassigned   2.41, 4.86 A)
 &rst
  ixpk= 2679, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1=1211,1212,1213,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
# 100 LYS          HN  101 VAL         MGY  5.50   (#   2680:20  Preassigned   3.30, 5.78 A)
 &rst
  ixpk= 2680, nxpk= 20, iat=1559,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#  20 GLU          HA   32 VAL         MGY  5.50   (#   2682:20  Preassigned   2.12, 3.72 A)
 &rst
  ixpk= 2682, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#   5 ILE          HN   32 VAL         MGY  6.00   (#   2683:20  Preassigned   3.69, 5.40 A)
 &rst
  ixpk= 2683, nxpk= 20, iat=  69,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#  31 LYS          HN   32 VAL         MGY  5.50   (#   2684:20  Preassigned   4.29, 6.69 A)
 &rst
  ixpk= 2684, nxpk= 20, iat= 494,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#  24 GLN          HN   32 VAL         MGY  6.00   (#   2685:20  Preassigned   2.62, 4.38 A)
 &rst
  ixpk= 2685, nxpk= 20, iat= 367,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#  30 LEU          HN   32 VAL         MGY  5.50   (#   2686:20  Preassigned   4.18, 7.34 A)
 &rst
  ixpk= 2686, nxpk= 20, iat= 475,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#   0 AMB   20-2:2687   32 VAL         MGY  5.50   (#   2687:20      Single   Ambig  )
 &rst
  ixpk= 2687, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 379, 380, 379, 380,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#  32 VAL          HA   32 VAL         MGY  4.00   (#   2688:20  Preassigned   2.26, 3.26 A)
 &rst
  ixpk= 2688, nxpk= 20, iat= 518,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#  30 LEU          HA   32 VAL         MGY  5.50   (#   2689:20  Preassigned   5.04, 7.72 A)
 &rst
  ixpk= 2689, nxpk= 20, iat= 477,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#  24 GLN          HA   32 VAL         MGY  5.50   (#   2690:20  Preassigned   2.47, 4.72 A)
 &rst
  ixpk= 2690, nxpk= 20, iat= 369,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#   0 AMB   20-2:2691   32 VAL         MGY  4.00   (#   2691:20      Single   Ambig  )
 &rst
  ixpk= 2691, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
 igr1= 374, 375, 374, 375,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#  32 VAL          HB   32 VAL         MGY  5.50   (#   2692:20  Preassigned   2.38, 2.66 A)
 &rst
  ixpk= 2692, nxpk= 20, iat= 520,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#   0 AMB   20-2:2693   32 VAL         MGY  4.00   (#   2693:20      Single   Ambig  )
 &rst
  ixpk= 2693, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1=  73, 352, 353,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#  23 LEU         HB-   32 VAL         MGY  5.50   (#   2694:20  Preassigned   2.15, 3.62 A)
 &rst
  ixpk= 2694, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 352, 353,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#   0 AMB   20-2:2695   32 VAL         MGY  4.00   (#   2695:20      Single   Ambig  )
 &rst
  ixpk= 2695, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
 igr1=  79,  80, 479, 480,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#   0 AMB   20-2:2696   32 VAL         MGY  5.50   (#   2696:20      Single   Ambig  )
 &rst
  ixpk= 2696, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.69, r4=11.44,
 igr1=  75,  76,  77, 113, 114, 115, 117, 118, 119,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#  33 GLU          HN   32 VAL         MGY  5.50   (#   2697:20  Preassigned   2.14, 4.15 A)
 &rst
  ixpk= 2697, nxpk= 20, iat= 532,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#  32 VAL          HN   32 VAL         MGY  5.50   (#   2698:20  Preassigned   2.58, 4.20 A)
 &rst
  ixpk= 2698, nxpk= 20, iat= 516,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#   0 AMB   20-2:2701    7 VAL         MGY  5.50   (#   2701:20      Single   Ambig  )
 &rst
  ixpk= 2701, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 125, 518,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
#  87 ILE          HN   81 THR         MG2  5.50   (#   2702:20  Preassigned   2.85, 4.27 A)
 &rst
  ixpk= 2702, nxpk= 20, iat=1352,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1249,1250,1251,
 &end
#
# 102 MET          HN  101 VAL         MGY  5.50   (#   2706:20  Preassigned   2.30, 4.40 A)
 &rst
  ixpk= 2706, nxpk= 20, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
# 101 VAL          HN  101 VAL         MGY  5.50   (#   2707:20  Preassigned   2.42, 3.99 A)
 &rst
  ixpk= 2707, nxpk= 20, iat=1581,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
# 101 VAL          HB  101 VAL         MGY  4.00   (#   2708:20  Preassigned   2.39, 2.66 A)
 &rst
  ixpk= 2708, nxpk= 20, iat=1585,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#   0 AMB   20-2:2709  101 VAL         MGY  4.00   (#   2709:20      Single   Ambig  )
 &rst
  ixpk= 2709, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1209,1417,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#   5 ILE        HG1-   32 VAL         MGY  5.50   (#   2710:20  Preassigned   3.05, 5.75 A)
 &rst
  ixpk= 2710, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  79,  80,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#  24 GLN         HB+   32 VAL         MGY  5.50   (#   2711:20  Preassigned   2.33, 5.27 A)
 &rst
  ixpk= 2711, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 371, 372,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#   7 VAL          HB   32 VAL         MGY  5.50   (#   2712:20  Preassigned   4.20, 6.71 A)
 &rst
  ixpk= 2712, nxpk= 20, iat= 111,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#   7 VAL          HN    7 VAL         MGY  4.00   (#   2713:20  Preassigned   2.46, 4.21 A)
 &rst
  ixpk= 2713, nxpk= 20, iat= 107,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
#   7 VAL          HA    7 VAL         MGY  4.00   (#   2714:20  Preassigned   2.33, 3.16 A)
 &rst
  ixpk= 2714, nxpk= 20, iat= 109,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
#   6 LEU          HA    7 VAL         MGY  5.50   (#   2715:20  Preassigned   3.64, 5.81 A)
 &rst
  ixpk= 2715, nxpk= 20, iat=  90,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
#  20 GLU         HB-    7 VAL         MGY  5.50   (#   2716:20      Unique   2.48, 5.33 A)
 &rst
  ixpk= 2716, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 294, 295,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
# 131 LEU         HB-   19 ALA          MB  5.50   (#   2717:20  Preassigned   3.05, 5.14 A)
 &rst
  ixpk= 2717, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2072,2073,
 igr2= 284, 285, 286,
 &end
#
# 135 ALA          MB   19 ALA          MB  5.50   (#   2718:20  Preassigned   3.39, 5.65 A)
 &rst
  ixpk= 2718, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=2141,2142,2143,
 igr2= 284, 285, 286,
 &end
#
#   7 VAL          HB    0 AMB   20-1:2719  4.00   (#   2719:20      Single   Ambig  )
 &rst
  ixpk= 2719, nxpk= 20, iat= 111,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr2= 113, 114, 115, 117, 118, 119, 284, 285, 286,
 &end
#
#  80 LEU         MDY    7 VAL         MGY  5.50   (#   2721:20  Preassigned   2.68, 6.60 A)
 &rst
  ixpk= 2721, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1233,1234,1235,1237,1238,1239,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
#  80 LEU         MDX    7 VAL         MGY  5.50   (#   2722:20  Preassigned   2.68, 6.60 A)
 &rst
  ixpk= 2722, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1233,1234,1235,1237,1238,1239,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
#  41 VAL          HN   39 ALA          MB  5.50   (#   2723:20  Preassigned   3.21, 4.00 A)
 &rst
  ixpk= 2723, nxpk= 20, iat= 630,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 605, 606, 607,
 &end
#
#  81 THR          HN   81 THR         MG2  4.00   (#   2724:20  Preassigned   2.52, 3.56 A)
 &rst
  ixpk= 2724, nxpk= 20, iat=1243,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=1249,1250,1251,
 &end
#
#   0 AMB   20-2:2725   81 THR         MG2  4.00   (#   2725:20      Single   Ambig  )
 &rst
  ixpk= 2725, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1245,1226,
 igr2=1249,1250,1251,
 &end
#
#  81 THR          HB   81 THR         MG2  4.00   (#   2726:20  Preassigned   2.40, 2.65 A)
 &rst
  ixpk= 2726, nxpk= 20, iat=1247,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=1249,1250,1251,
 &end
#
#   0 AMB   20-2:2727    0 AMB   20-1:2727  4.00   (#   2727:20      Double   Ambig  )
 &rst
  ixpk= 2727, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
 igr1= 570, 571,1339,1340,
 igr2= 605, 606, 607,1249,1250,1251,
 &end
#
#  87 ILE          HB   81 THR         MG2  5.50   (#   2728:20  Preassigned   2.89, 5.74 A)
 &rst
  ixpk= 2728, nxpk= 20, iat=1356,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1249,1250,1251,
 &end
#
# 103 LEU         MDY   81 THR         MG2  5.50   (#   2729:20  Preassigned   3.09, 6.65 A)
 &rst
  ixpk= 2729, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1623,1624,1625,1627,1628,1629,
 igr2=1249,1250,1251,
 &end
#
#  82 MET          HN   81 THR         MG2  5.50   (#   2730:20  Preassigned   2.84, 4.44 A)
 &rst
  ixpk= 2730, nxpk= 20, iat=1257,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1249,1250,1251,
 &end
#
#  87 ILE          HA   81 THR         MG2  5.50   (#   2731:20  Preassigned   2.62, 3.99 A)
 &rst
  ixpk= 2731, nxpk= 20, iat=1354,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1249,1250,1251,
 &end
#
# 102 MET         HG-   81 THR         MG2  5.50   (#   2732:20  Preassigned   5.69, 7.61 A)
 &rst
  ixpk= 2732, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1604,1605,
 igr2=1249,1250,1251,
 &end
#
# 104 PHE          HZ   19 ALA          MB  4.00   (#   2734:20  Preassigned   2.12, 3.23 A)
 &rst
  ixpk= 2734, nxpk= 20, iat=1645,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 284, 285, 286,
 &end
#
# 104 PHE          HE    0 AMB   20-1:2736  4.00   (#   2736:20      Single   Ambig  )
 &rst
  ixpk= 2736, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1=1643,1647,
 igr2= 113, 114, 115, 117, 118, 119, 284, 285, 286,
 &end
#
#  16 SER          HA    7 VAL         MGY  4.00   (#   2738:20  Preassigned   2.28, 3.91 A)
 &rst
  ixpk= 2738, nxpk= 20, iat= 243,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
#  82 MET          ME    0 AMB   20-1:2739  4.00   (#   2739:20      Single   Ambig  )
 &rst
  ixpk= 2739, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1268,1269,1270,
 igr2= 284, 285, 286, 113, 114, 115, 117, 118, 119,
 &end
#
#   6 LEU         MDX    7 VAL         MGY  5.50   (#   2740:20  Preassigned   4.67, 7.86 A)
 &rst
  ixpk= 2740, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
# 147 VAL          HN  147 VAL         MGX  5.50   (#   2741:20  Preassigned   1.84, 3.60 A)
 &rst
  ixpk= 2741, nxpk= 20, iat=2324,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2330,2331,2332,2334,2335,2336,
 &end
#
# 147 VAL          HA  147 VAL         MGX  5.50   (#   2743:20  Preassigned   2.37, 3.48 A)
 &rst
  ixpk= 2743, nxpk= 20, iat=2326,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2330,2331,2332,2334,2335,2336,
 &end
#
#  36 GLY         HA-   39 ALA          MB  5.50   (#   2744:20  Preassigned   2.22, 4.32 A)
 &rst
  ixpk= 2744, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 570, 571,
 igr2= 605, 606, 607,
 &end
#
#  39 ALA          HA   39 ALA          MB  4.00   (#   2748:20  Preassigned   2.42, 2.66 A)
 &rst
  ixpk= 2748, nxpk= 20, iat= 603,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 605, 606, 607,
 &end
#
#  67 GLN         HG+   39 ALA          MB  5.50   (#   2750:20  Preassigned   2.46, 5.30 A)
 &rst
  ixpk= 2750, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 997, 998,
 igr2= 605, 606, 607,
 &end
#
#  67 GLN         HB+   39 ALA          MB  5.50   (#   2751:20  Preassigned   2.47, 4.64 A)
 &rst
  ixpk= 2751, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 994, 995,
 igr2= 605, 606, 607,
 &end
#
#  67 GLN         HB-   39 ALA          MB  5.50   (#   2752:20  Preassigned   2.47, 4.64 A)
 &rst
  ixpk= 2752, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 994, 995,
 igr2= 605, 606, 607,
 &end
#
#  66 ARG          HN   39 ALA          MB  5.50   (#   2756:20  Preassigned   2.30, 3.21 A)
 &rst
  ixpk= 2756, nxpk= 20, iat= 966,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 605, 606, 607,
 &end
#
#  67 GLN          HN   39 ALA          MB  5.50   (#   2757:20  Preassigned   3.21, 4.15 A)
 &rst
  ixpk= 2757, nxpk= 20, iat= 990,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 605, 606, 607,
 &end
#
#  68 ILE          HN   39 ALA          MB  5.50   (#   2758:20  Preassigned   3.61, 4.81 A)
 &rst
  ixpk= 2758, nxpk= 20, iat=1007,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 605, 606, 607,
 &end
#
#  39 ALA          HN   39 ALA          MB  4.00   (#   2759:20  Preassigned   2.28, 2.86 A)
 &rst
  ixpk= 2759, nxpk= 20, iat= 601,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 605, 606, 607,
 &end
#
#  40 LEU          HN   39 ALA          MB  5.50   (#   2760:20  Preassigned   2.68, 3.63 A)
 &rst
  ixpk= 2760, nxpk= 20, iat= 611,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 605, 606, 607,
 &end
#
#  41 VAL          HN   39 ALA          MB  5.50   (#   2761:20  Preassigned   3.21, 4.00 A)
 &rst
  ixpk= 2761, nxpk= 20, iat= 630,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 605, 606, 607,
 &end
#
#   0 AMB   20-2:2762   39 ALA          MB  4.00   (#   2762:20      Single   Ambig  )
 &rst
  ixpk= 2762, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 992, 958,
 igr2= 605, 606, 607,
 &end
#
#  36 GLY         HA+   39 ALA          MB  4.00   (#   2764:20  Preassigned   2.22, 4.32 A)
 &rst
  ixpk= 2764, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 570, 571,
 igr2= 605, 606, 607,
 &end
#
#  65 ALA          MB   39 ALA          MB  4.00   (#   2765:20  Preassigned   2.27, 4.50 A)
 &rst
  ixpk= 2765, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1= 960, 961, 962,
 igr2= 605, 606, 607,
 &end
#
#  36 GLY          HN   39 ALA          MB  4.00   (#   2766:20  Preassigned   2.22, 3.39 A)
 &rst
  ixpk= 2766, nxpk= 20, iat= 568,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 605, 606, 607,
 &end
#
# 132 GLU          HA  135 ALA          MB  5.50   (#   2767:20  Preassigned   2.20, 3.35 A)
 &rst
  ixpk= 2767, nxpk= 20, iat=2089,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=2141,2142,2143,
 &end
#
#  19 ALA          HA  135 ALA          MB  5.50   (#   2768:20  Preassigned   2.58, 3.89 A)
 &rst
  ixpk= 2768, nxpk= 20, iat= 282,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=2141,2142,2143,
 &end
#
#  23 LEU         MDY  135 ALA          MB  5.50   (#   2769:20  Preassigned   2.23, 4.96 A)
 &rst
  ixpk= 2769, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 357, 358, 359, 361, 362, 363,
 igr2=2141,2142,2143,
 &end
#
# 135 ALA          HN  135 ALA          MB  5.50   (#   2770:20  Preassigned   2.44, 2.95 A)
 &rst
  ixpk= 2770, nxpk= 20, iat=2137,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=2141,2142,2143,
 &end
#
#  23 LEU          HN  135 ALA          MB  6.00   (#   2771:20  Preassigned   3.25, 4.22 A)
 &rst
  ixpk= 2771, nxpk= 20, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=2141,2142,2143,
 &end
#
# 136 ARG          HN  135 ALA          MB  4.00   (#   2772:20  Preassigned   2.41, 3.34 A)
 &rst
  ixpk= 2772, nxpk= 20, iat=2147,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=2141,2142,2143,
 &end
#
# 104 PHE          HE  135 ALA          MB  5.50   (#   2773:20  Preassigned   2.20, 5.25 A)
 &rst
  ixpk= 2773, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1643,1647,
 igr2=2141,2142,2143,
 &end
#
#   0 AMB   20-2:2774  135 ALA          MB  4.00   (#   2774:20      Single   Ambig  )
 &rst
  ixpk= 2774, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1=1645, 416, 425,
 igr2=2141,2142,2143,
 &end
#
#  26 TYR          HE  135 ALA          MB  5.50   (#   2775:20  Preassigned   2.48, 6.05 A)
 &rst
  ixpk= 2775, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 418, 423,
 igr2=2141,2142,2143,
 &end
#
#  23 LEU          HA  135 ALA          MB  5.50   (#   2776:20  Preassigned   2.83, 4.58 A)
 &rst
  ixpk= 2776, nxpk= 20, iat= 350,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=2141,2142,2143,
 &end
#
# 135 ALA          HA  135 ALA          MB  4.00   (#   2777:20  Preassigned   2.42, 2.66 A)
 &rst
  ixpk= 2777, nxpk= 20, iat=2139,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=2141,2142,2143,
 &end
#
#  22 LEU         HB-  135 ALA          MB  5.50   (#   2778:20  Preassigned   2.30, 3.18 A)
 &rst
  ixpk= 2778, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 333, 334,
 igr2=2141,2142,2143,
 &end
#
#  22 LEU         MDY  135 ALA          MB  5.50   (#   2779:20  Preassigned   2.42, 5.01 A)
 &rst
  ixpk= 2779, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2=2141,2142,2143,
 &end
#
#  23 LEU         MDX  135 ALA          MB  5.50   (#   2780:20  Preassigned   2.23, 4.96 A)
 &rst
  ixpk= 2780, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 357, 358, 359, 361, 362, 363,
 igr2=2141,2142,2143,
 &end
#
#  22 LEU          HN  135 ALA          MB  6.00   (#   2785:20  Preassigned   4.62, 5.34 A)
 &rst
  ixpk= 2785, nxpk= 20, iat= 329,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=2141,2142,2143,
 &end
#
#  19 ALA          MB  135 ALA          MB  5.50   (#   2786:20  Preassigned   3.39, 5.65 A)
 &rst
  ixpk= 2786, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 284, 285, 286,
 igr2=2141,2142,2143,
 &end
#
# 144 ALA          HN  144 ALA          MB  2.80   (#   2787:20  Preassigned   2.44, 3.10 A)
 &rst
  ixpk= 2787, nxpk= 20, iat=2282,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=2286,2287,2288,
 &end
#
# 144 ALA          HA  144 ALA          MB  4.00   (#   2788:20  Preassigned   2.38, 2.67 A)
 &rst
  ixpk= 2788, nxpk= 20, iat=2284,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=2286,2287,2288,
 &end
#
# 141 ALA          HA  144 ALA          MB  6.00   (#   2790:20  Preassigned   2.43, 4.28 A)
 &rst
  ixpk= 2790, nxpk= 20, iat=2241,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=2286,2287,2288,
 &end
#
# 140 GLN         HG+  144 ALA          MB  5.50   (#   2793:20  Preassigned   4.09, 6.39 A)
 &rst
  ixpk= 2793, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2229,2230,
 igr2=2286,2287,2288,
 &end
#
#  43 LYS         HB-   65 ALA          MB  5.50   (#   2794:20  Preassigned   2.27, 3.79 A)
 &rst
  ixpk= 2794, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 657, 658,
 igr2= 960, 961, 962,
 &end
#
# 145 GLU          HN  144 ALA          MB  4.00   (#   2796:20  Preassigned   1.87, 4.02 A)
 &rst
  ixpk= 2796, nxpk= 20, iat=2292,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=2286,2287,2288,
 &end
#
#  40 LEU          HN   65 ALA          MB  5.50   (#   2797:20  Preassigned   2.20, 3.52 A)
 &rst
  ixpk= 2797, nxpk= 20, iat= 611,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 960, 961, 962,
 &end
#
#  42 GLY         HA-   65 ALA          MB  5.50   (#   2798:20  Preassigned   3.91, 5.60 A)
 &rst
  ixpk= 2798, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 648, 649,
 igr2= 960, 961, 962,
 &end
#
#   0 AMB   20-2:2799   65 ALA          MB  4.00   (#   2799:20      Single   Ambig  )
 &rst
  ixpk= 2799, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 663, 664, 663, 664,
 igr2= 960, 961, 962,
 &end
#
# 141 ALA          HA  144 ALA          MB  5.50   (#   2803:20  Preassigned   2.43, 4.28 A)
 &rst
  ixpk= 2803, nxpk= 20, iat=2241,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=2286,2287,2288,
 &end
#
#  65 ALA          HN   65 ALA          MB  4.00   (#   2804:20  Preassigned   2.27, 2.87 A)
 &rst
  ixpk= 2804, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 960, 961, 962,
 &end
#
#  43 LYS          HN   65 ALA          MB  5.50   (#   2805:20  Preassigned   2.20, 3.28 A)
 &rst
  ixpk= 2805, nxpk= 20, iat= 653,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 960, 961, 962,
 &end
#
#  63 HIS         HD2   65 ALA          MB  7.00   (#   2806:20  Preassigned   3.73, 5.90 A)
 &rst
  ixpk= 2806, nxpk= 20, iat= 941,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 960, 961, 962,
 &end
#
#  44 GLY         HA+   65 ALA          MB  6.00   (#   2807:20  Preassigned   4.23, 6.30 A)
 &rst
  ixpk= 2807, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 677, 678,
 igr2= 960, 961, 962,
 &end
#
#  65 ALA          HA   65 ALA          MB  5.50   (#   2808:20  Preassigned   2.42, 2.66 A)
 &rst
  ixpk= 2808, nxpk= 20, iat= 958,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 960, 961, 962,
 &end
#
#  97 MET          HN   94 ALA          MB  5.50   (#   2810:20  Preassigned   3.10, 4.20 A)
 &rst
  ixpk= 2810, nxpk= 20, iat=1511,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1476,1477,1478,
 &end
#
#  94 ALA          HN   94 ALA          MB  4.00   (#   2811:20  Preassigned   2.64, 3.30 A)
 &rst
  ixpk= 2811, nxpk= 20, iat=1472,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=1476,1477,1478,
 &end
#
#  94 ALA          HA   94 ALA          MB  4.00   (#   2812:20  Preassigned   2.41, 2.65 A)
 &rst
  ixpk= 2812, nxpk= 20, iat=1474,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=1476,1477,1478,
 &end
#
#   0 AMB   20-2:2813   94 ALA          MB  7.00   (#   2813:20      Single   Ambig  )
 &rst
  ixpk= 2813, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1431,1412,
 igr2=1476,1477,1478,
 &end
#
#  73 CYS          HA   94 ALA          MB  5.50   (#   2814:20  Preassigned   4.93, 5.74 A)
 &rst
  ixpk= 2814, nxpk= 20, iat=1106,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1476,1477,1478,
 &end
#
#  95 PRO         HD+   94 ALA          MB  6.00   (#   2815:20  Preassigned   4.05, 4.89 A)
 &rst
  ixpk= 2815, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1483,1484,
 igr2=1476,1477,1478,
 &end
#
#   0 AMB   20-2:2818   94 ALA          MB  5.50   (#   2818:20      Single   Ambig  )
 &rst
  ixpk= 2818, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1518,1519,1462,1463,
 igr2=1476,1477,1478,
 &end
#
#  93 MET         HB+   94 ALA          MB  5.50   (#   2819:20  Preassigned   3.51, 4.70 A)
 &rst
  ixpk= 2819, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1459,1460,
 igr2=1476,1477,1478,
 &end
#
#  96 GLU          HN   94 ALA          MB  5.50   (#   2820:20  Preassigned   3.42, 4.69 A)
 &rst
  ixpk= 2820, nxpk= 20, iat=1496,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1476,1477,1478,
 &end
#
#  95 PRO         HD-   94 ALA          MB  5.50   (#   2821:20  Preassigned   4.05, 4.89 A)
 &rst
  ixpk= 2821, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1483,1484,
 igr2=1476,1477,1478,
 &end
#
#  93 MET         HG-   94 ALA          MB  5.50   (#   2822:20  Preassigned   2.62, 6.58 A)
 &rst
  ixpk= 2822, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1462,1463,
 igr2=1476,1477,1478,
 &end
#
#  97 MET         HB-   94 ALA          MB  5.50   (#   2823:20  Preassigned   2.24, 4.44 A)
 &rst
  ixpk= 2823, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1515,1516,
 igr2=1476,1477,1478,
 &end
#
#  66 ARG          HN   65 ALA          MB  4.00   (#   2834:20  Preassigned   2.84, 3.90 A)
 &rst
  ixpk= 2834, nxpk= 20, iat= 966,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 960, 961, 962,
 &end
#
#  40 LEU          HN   65 ALA          MB  5.50   (#   2835:20  Preassigned   2.20, 3.52 A)
 &rst
  ixpk= 2835, nxpk= 20, iat= 611,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 960, 961, 962,
 &end
#
#  41 VAL          HA   65 ALA          MB  5.50   (#   2836:20  Preassigned   2.21, 3.21 A)
 &rst
  ixpk= 2836, nxpk= 20, iat= 632,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 960, 961, 962,
 &end
#
#  43 LYS         HB+   65 ALA          MB  5.50   (#   2837:20  Preassigned   2.27, 3.79 A)
 &rst
  ixpk= 2837, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 657, 658,
 igr2= 960, 961, 962,
 &end
#
#  42 GLY          HN   65 ALA          MB  5.50   (#   2838:20  Preassigned   2.16, 3.49 A)
 &rst
  ixpk= 2838, nxpk= 20, iat= 646,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 960, 961, 962,
 &end
#
#  41 VAL          HN   65 ALA          MB  5.50   (#   2839:20  Preassigned   3.27, 4.32 A)
 &rst
  ixpk= 2839, nxpk= 20, iat= 630,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 960, 961, 962,
 &end
#
#  70 ARG          HA   94 ALA          MB  5.50   (#   2840:20  Preassigned   2.41, 3.98 A)
 &rst
  ixpk= 2840, nxpk= 20, iat=1039,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1476,1477,1478,
 &end
#
#  70 ARG         HG-   94 ALA          MB  5.50   (#   2841:20  Preassigned   2.33, 4.26 A)
 &rst
  ixpk= 2841, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1044,1045,
 igr2=1476,1477,1478,
 &end
#
#  90 LEU         MDY   94 ALA          MB  5.50   (#   2842:20  Preassigned   2.75, 6.46 A)
 &rst
  ixpk= 2842, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1419,1420,1421,1423,1424,1425,
 igr2=1476,1477,1478,
 &end
#
# 131 LEU         HB-   82 MET          ME  5.50   (#   2844:20  Preassigned   2.50, 4.36 A)
 &rst
  ixpk= 2844, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2072,2073,
 igr2=1268,1269,1270,
 &end
#
#  80 LEU         HB+   82 MET          ME  5.50   (#   2845:20  Preassigned   3.04, 5.72 A)
 &rst
  ixpk= 2845, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1228,1229,
 igr2=1268,1269,1270,
 &end
#
#  45 ALA          HN   45 ALA          MB  4.00   (#   2847:20  Preassigned   2.42, 2.93 A)
 &rst
  ixpk= 2847, nxpk= 20, iat= 682,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 686, 687, 688,
 &end
#
#  44 GLY         HA+   45 ALA          MB  6.00   (#   2848:20  Preassigned   4.11, 5.29 A)
 &rst
  ixpk= 2848, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 677, 678,
 igr2= 686, 687, 688,
 &end
#
#  45 ALA          HA   45 ALA          MB  4.00   (#   2849:20  Preassigned   2.43, 2.66 A)
 &rst
  ixpk= 2849, nxpk= 20, iat= 684,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 686, 687, 688,
 &end
#
#  50 ILE          HA   45 ALA          MB  6.00   (#   2850:20  Preassigned   4.37, 5.44 A)
 &rst
  ixpk= 2850, nxpk= 20, iat= 744,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 686, 687, 688,
 &end
#
#  50 ILE        HG1+   45 ALA          MB  4.00   (#   2852:20  Preassigned   2.46, 3.57 A)
 &rst
  ixpk= 2852, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 752, 753,
 igr2= 686, 687, 688,
 &end
#
#   0 AMB   20-2:2853    0 AMB   20-1:2853  4.00   (#   2853:20      Double   Ambig  )
 &rst
  ixpk= 2853, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.05, r4= 7.80,
 igr1= 755, 756, 757,2072,2073,
 igr2= 686, 687, 688,1268,1269,1270,
 &end
#
#  62 GLY         HA+   45 ALA          MB  5.50   (#   2854:20  Preassigned   5.04, 7.58 A)
 &rst
  ixpk= 2854, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 923, 924,
 igr2= 686, 687, 688,
 &end
#
#  26 TYR          HN  139 ALA          MB  5.50   (#   2855:20  Preassigned   4.43, 5.38 A)
 &rst
  ixpk= 2855, nxpk= 20, iat= 408,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=2216,2217,2218,
 &end
#
#  27 HIS         HB+  139 ALA          MB  5.50   (#   2857:20  Preassigned   2.71, 5.78 A)
 &rst
  ixpk= 2857, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 433, 434,
 igr2=2216,2217,2218,
 &end
#
#  26 TYR         HB-  139 ALA          MB  5.50   (#   2858:20  Preassigned   2.39, 3.06 A)
 &rst
  ixpk= 2858, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 412, 413,
 igr2=2216,2217,2218,
 &end
#
# 139 ALA          HN  139 ALA          MB  4.00   (#   2859:20  Preassigned   2.51, 2.92 A)
 &rst
  ixpk= 2859, nxpk= 20, iat=2212,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=2216,2217,2218,
 &end
#
# 140 GLN          HN  139 ALA          MB  4.00   (#   2860:20  Preassigned   2.75, 3.61 A)
 &rst
  ixpk= 2860, nxpk= 20, iat=2222,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=2216,2217,2218,
 &end
#
#  26 TYR          HD  139 ALA          MB  5.50   (#   2861:20  Preassigned   2.29, 4.64 A)
 &rst
  ixpk= 2861, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 416, 425,
 igr2=2216,2217,2218,
 &end
#
#  27 HIS         HD2  139 ALA          MB  4.00   (#   2862:20  Preassigned   2.59, 4.19 A)
 &rst
  ixpk= 2862, nxpk= 20, iat= 442,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=2216,2217,2218,
 &end
#
#   0 AMB   20-2:2863  139 ALA          MB  5.50   (#   2863:20      Single   Ambig  )
 &rst
  ixpk= 2863, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2224,2139,
 igr2=2216,2217,2218,
 &end
#
# 139 ALA          HA  139 ALA          MB  4.00   (#   2864:20  Preassigned   2.41, 2.65 A)
 &rst
  ixpk= 2864, nxpk= 20, iat=2214,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=2216,2217,2218,
 &end
#
# 136 ARG          HA  139 ALA          MB  4.00   (#   2865:20  Preassigned   2.34, 3.33 A)
 &rst
  ixpk= 2865, nxpk= 20, iat=2149,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=2216,2217,2218,
 &end
#
#  26 TYR         HB+  139 ALA          MB  4.00   (#   2866:20  Preassigned   2.39, 3.06 A)
 &rst
  ixpk= 2866, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 412, 413,
 igr2=2216,2217,2218,
 &end
#
# 140 GLN         HB-  139 ALA          MB  7.00   (#   2867:20  Preassigned   4.33, 5.75 A)
 &rst
  ixpk= 2867, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=2226,2227,
 igr2=2216,2217,2218,
 &end
#
# 136 ARG         HB+  139 ALA          MB  5.50   (#   2868:20  Preassigned   3.81, 5.80 A)
 &rst
  ixpk= 2868, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2151,2152,
 igr2=2216,2217,2218,
 &end
#
# 136 ARG         HG+  139 ALA          MB  7.00   (#   2869:20  Preassigned   3.51, 5.71 A)
 &rst
  ixpk= 2869, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=2154,2155,
 igr2=2216,2217,2218,
 &end
#
#  23 LEU         MDX  139 ALA          MB  5.50   (#   2870:20  Preassigned   2.36, 6.04 A)
 &rst
  ixpk= 2870, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 357, 358, 359, 361, 362, 363,
 igr2=2216,2217,2218,
 &end
#
#  26 TYR          HA  139 ALA          MB  5.50   (#   2871:20  Preassigned   4.58, 5.23 A)
 &rst
  ixpk= 2871, nxpk= 20, iat= 410,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=2216,2217,2218,
 &end
#
#  23 LEU         MDY  139 ALA          MB  5.50   (#   2872:20  Preassigned   2.36, 6.04 A)
 &rst
  ixpk= 2872, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 357, 358, 359, 361, 362, 363,
 igr2=2216,2217,2218,
 &end
#
# 142 LEU         MDX  139 ALA          MB  5.50   (#   2873:20  Preassigned   3.84, 7.02 A)
 &rst
  ixpk= 2873, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=2258,2259,2260,2262,2263,2264,
 igr2=2216,2217,2218,
 &end
#
# 104 PHE          HD   82 MET          ME  5.50   (#   2874:20  Preassigned   2.50, 4.22 A)
 &rst
  ixpk= 2874, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1641,1649,
 igr2=1268,1269,1270,
 &end
#
#  81 THR          HA   82 MET          ME  6.00   (#   2875:20  Preassigned   3.75, 5.26 A)
 &rst
  ixpk= 2875, nxpk= 20, iat=1245,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1268,1269,1270,
 &end
#
#  82 MET          HA   82 MET          ME  5.50   (#   2876:20  Preassigned   3.98, 4.89 A)
 &rst
  ixpk= 2876, nxpk= 20, iat=1259,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1268,1269,1270,
 &end
#
# 113 ILE         QD1   82 MET          ME  4.00   (#   2877:20  Preassigned   2.51, 4.97 A)
 &rst
  ixpk= 2877, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1=1781,1782,1783,
 igr2=1268,1269,1270,
 &end
#
# 131 LEU         MDY   82 MET          ME  4.00   (#   2878:20  Preassigned   2.16, 4.59 A)
 &rst
  ixpk= 2878, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1=2077,2078,2079,2081,2082,2083,
 igr2=1268,1269,1270,
 &end
#
#  63 HIS         HD2   45 ALA          MB  5.50   (#   2881:20  Preassigned   2.55, 4.45 A)
 &rst
  ixpk= 2881, nxpk= 20, iat= 941,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 686, 687, 688,
 &end
#
#  60 LEU          HA   45 ALA          MB  6.00   (#   2883:20  Preassigned   4.47, 5.46 A)
 &rst
  ixpk= 2883, nxpk= 20, iat= 889,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 686, 687, 688,
 &end
#
#  19 ALA          HN   82 MET          ME  5.50   (#   2884:20  Preassigned   3.81, 4.84 A)
 &rst
  ixpk= 2884, nxpk= 20, iat= 280,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1268,1269,1270,
 &end
#
#   0 AMB   20-2:2886   82 MET          ME  5.50   (#   2886:20      Single   Ambig  )
 &rst
  ixpk= 2886, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1243, 123,
 igr2=1268,1269,1270,
 &end
#
#  82 MET          HN   82 MET          ME  5.50   (#   2887:20  Preassigned   4.40, 5.49 A)
 &rst
  ixpk= 2887, nxpk= 20, iat=1257,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1268,1269,1270,
 &end
#
#  16 SER          HA   82 MET          ME  5.50   (#   2888:20  Preassigned   2.69, 4.24 A)
 &rst
  ixpk= 2888, nxpk= 20, iat= 243,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1268,1269,1270,
 &end
#
# 104 PHE         HB-   82 MET          ME  5.50   (#   2891:20      Unique   2.78, 4.61 A)
 &rst
  ixpk= 2891, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1637,1638,
 igr2=1268,1269,1270,
 &end
#
#   7 VAL         MGX   82 MET          ME  4.00   (#   2894:20  Preassigned   2.28, 4.97 A)
 &rst
  ixpk= 2894, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1= 113, 114, 115, 117, 118, 119,
 igr2=1268,1269,1270,
 &end
#
# 104 PHE          HE   82 MET          ME  7.00   (#   2895:20  Preassigned   2.64, 4.26 A)
 &rst
  ixpk= 2895, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1643,1647,
 igr2=1268,1269,1270,
 &end
#
# 107 TRP         HH2  141 ALA          MB  7.00   (#   2896:20      Unique   2.45, 4.04 A)
 &rst
  ixpk= 2896, nxpk= 20, iat=1692,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2=2243,2244,2245,
 &end
#
# 140 GLN          HA  141 ALA          MB  6.00   (#   2897:20  Preassigned   5.80, 6.11 A)
 &rst
  ixpk= 2897, nxpk= 20, iat=2224,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=2243,2244,2245,
 &end
#
# 139 ALA          HA  141 ALA          MB  5.50   (#   2898:20  Preassigned   5.00, 6.11 A)
 &rst
  ixpk= 2898, nxpk= 20, iat=2214,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=2243,2244,2245,
 &end
#
# 142 LEU          HN  141 ALA          MB  4.00   (#   2899:20  Preassigned   2.50, 3.47 A)
 &rst
  ixpk= 2899, nxpk= 20, iat=2249,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=2243,2244,2245,
 &end
#
# 141 ALA          HN  141 ALA          MB  4.00   (#   2900:20  Preassigned   2.41, 2.90 A)
 &rst
  ixpk= 2900, nxpk= 20, iat=2239,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=2243,2244,2245,
 &end
#
# 140 GLN          HN  141 ALA          MB  5.50   (#   2901:20  Preassigned   4.68, 5.45 A)
 &rst
  ixpk= 2901, nxpk= 20, iat=2222,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=2243,2244,2245,
 &end
#
# 138 TRP          HA  141 ALA          MB  4.00   (#   2902:20  Preassigned   2.47, 3.34 A)
 &rst
  ixpk= 2902, nxpk= 20, iat=2190,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=2243,2244,2245,
 &end
#
# 141 ALA          HA  141 ALA          MB  2.80   (#   2903:20  Preassigned   2.41, 2.66 A)
 &rst
  ixpk= 2903, nxpk= 20, iat=2241,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=2243,2244,2245,
 &end
#
# 142 LEU         HB-  141 ALA          MB  5.50   (#   2904:20  Preassigned   4.53, 6.18 A)
 &rst
  ixpk= 2904, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2253,2254,
 igr2=2243,2244,2245,
 &end
#
# 107 TRP         HZ2  141 ALA          MB  7.00   (#   2905:20      Unique   2.35, 3.13 A)
 &rst
  ixpk= 2905, nxpk= 20, iat=1690,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2=2243,2244,2245,
 &end
#
# 107 TRP         HE1  141 ALA          MB  5.50   (#   2906:20  Preassigned   3.22, 4.54 A)
 &rst
  ixpk= 2906, nxpk= 20, iat=1687,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=2243,2244,2245,
 &end
#
# 142 LEU          HA  141 ALA          MB  6.00   (#   2907:20  Preassigned   4.35, 4.98 A)
 &rst
  ixpk= 2907, nxpk= 20, iat=2251,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=2243,2244,2245,
 &end
#
#   0 AMB   20-2:2908  141 ALA          MB  5.50   (#   2908:20      Single   Ambig  )
 &rst
  ixpk= 2908, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=2256,2229,2230,
 igr2=2243,2244,2245,
 &end
#
#  79 ILE          HN   79 ILE         QG2  5.50   (#   2909:20  Preassigned   4.18, 4.67 A)
 &rst
  ixpk= 2909, nxpk= 20, iat=1205,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1211,1212,1213,
 &end
#
#  97 MET          ME   79 ILE         QG2  7.00   (#   2910:20  Preassigned   3.17, 6.68 A)
 &rst
  ixpk= 2910, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
 igr1=1522,1523,1524,
 igr2=1211,1212,1213,
 &end
#
#   6 LEU         MDY   79 ILE         QG2  5.50   (#   2911:20  Preassigned   2.37, 5.73 A)
 &rst
  ixpk= 2911, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2=1211,1212,1213,
 &end
#
#   6 LEU         HB+   79 ILE         QG2  5.50   (#   2912:20  Preassigned   2.29, 4.70 A)
 &rst
  ixpk= 2912, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  92,  93,
 igr2=1211,1212,1213,
 &end
#
#  80 LEU          HN   79 ILE         QG2  4.00   (#   2913:20  Preassigned   2.88, 4.04 A)
 &rst
  ixpk= 2913, nxpk= 20, iat=1224,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=1211,1212,1213,
 &end
#
#  79 ILE          HA   79 ILE         QG2  4.00   (#   2914:20  Preassigned   2.37, 3.13 A)
 &rst
  ixpk= 2914, nxpk= 20, iat=1207,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=1211,1212,1213,
 &end
#
#   0 AMB   20-2:2915   79 ILE         QG2  4.00   (#   2915:20      Single   Ambig  )
 &rst
  ixpk= 2915, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1209,1417,
 igr2=1211,1212,1213,
 &end
#
#   6 LEU         MDX   79 ILE         QG2  4.00   (#   2917:20  Preassigned   2.37, 5.73 A)
 &rst
  ixpk= 2917, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2=1211,1212,1213,
 &end
#
# 128 TYR          HD   53 ALA          MB  6.00   (#   2918:20  Preassigned   2.91, 6.17 A)
 &rst
  ixpk= 2918, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=2022,2031,
 igr2= 792, 793, 794,
 &end
#
#  56 HIS         HB+   53 ALA          MB  5.50   (#   2919:20  Preassigned   3.92, 5.88 A)
 &rst
  ixpk= 2919, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 827, 828,
 igr2= 792, 793, 794,
 &end
#
#   0 AMB   20-2:2920   53 ALA          MB  7.00   (#   2920:20      Single   Ambig  )
 &rst
  ixpk= 2920, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
 igr1= 268, 827, 828,
 igr2= 792, 793, 794,
 &end
#
# 125 ALA          HN  125 ALA          MB  4.00   (#   2923:20  Preassigned   2.49, 2.89 A)
 &rst
  ixpk= 2923, nxpk= 20, iat=1978,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=1982,1983,1984,
 &end
#
#  59 SER          HN   53 ALA          MB  6.00   (#   2924:20  Preassigned   4.44, 6.22 A)
 &rst
  ixpk= 2924, nxpk= 20, iat= 876,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 792, 793, 794,
 &end
#
# 129 THR          HB    0 AMB   20-1:2925  5.50   (#   2925:20      Single   Ambig  )
 &rst
  ixpk= 2925, nxpk= 20, iat=2039,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1992,1993,1994,1982,1983,1984,
 &end
#
#   0 AMB   20-2:2926    0 AMB   20-1:2926  4.00   (#   2926:20      Double   Ambig  )
 &rst
  ixpk= 2926, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1931,1946,
 igr2=1982,1983,1984,1992,1993,1994,
 &end
#
#  58 LEU         MDY   53 ALA          MB  5.50   (#   2929:20  Preassigned   2.22, 5.76 A)
 &rst
  ixpk= 2929, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 866, 867, 868, 870, 871, 872,
 igr2= 792, 793, 794,
 &end
#
#  54 ALA          HN   53 ALA          MB  4.00   (#   2930:20  Preassigned   2.42, 3.43 A)
 &rst
  ixpk= 2930, nxpk= 20, iat= 798,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 792, 793, 794,
 &end
#
#  53 ALA          HN   53 ALA          MB  4.00   (#   2931:20  Preassigned   2.36, 2.87 A)
 &rst
  ixpk= 2931, nxpk= 20, iat= 788,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 792, 793, 794,
 &end
#
# 128 TYR          HE   53 ALA          MB  5.50   (#   2932:20  Preassigned   2.41, 5.49 A)
 &rst
  ixpk= 2932, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2024,2029,
 igr2= 792, 793, 794,
 &end
#
#  53 ALA          HA   53 ALA          MB  4.00   (#   2934:20  Preassigned   2.41, 2.66 A)
 &rst
  ixpk= 2934, nxpk= 20, iat= 790,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 792, 793, 794,
 &end
#
#  50 ILE          HA   53 ALA          MB  5.50   (#   2935:20  Preassigned   2.83, 4.06 A)
 &rst
  ixpk= 2935, nxpk= 20, iat= 744,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 792, 793, 794,
 &end
#
#  58 LEU         HB-   53 ALA          MB  5.50   (#   2936:20  Preassigned   2.24, 4.51 A)
 &rst
  ixpk= 2936, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 861, 862,
 igr2= 792, 793, 794,
 &end
#
#   0 AMB   20-2:2937   53 ALA          MB  4.00   (#   2937:20      Single   Ambig  )
 &rst
  ixpk= 2937, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
 igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
       901, 902,
 igr2= 792, 793, 794,
 &end
#
#  58 LEU         HB+   53 ALA          MB  4.00   (#   2938:20  Preassigned   2.24, 4.51 A)
 &rst
  ixpk= 2938, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 861, 862,
 igr2= 792, 793, 794,
 &end
#
#  58 LEU         MDX   53 ALA          MB  4.00   (#   2939:20  Preassigned   2.22, 5.76 A)
 &rst
  ixpk= 2939, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1= 866, 867, 868, 870, 871, 872,
 igr2= 792, 793, 794,
 &end
#
#   0 AMB   20-2:2940    0 AMB   20-1:2940  5.50   (#   2940:20      Double   Ambig  )
 &rst
  ixpk= 2940, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 823,2049,
 igr2= 792, 793, 794,1992,1993,1994,
 &end
#
# 127 VAL          HN  126 ALA          MB  4.00   (#   2941:20  Preassigned   2.45, 3.31 A)
 &rst
  ixpk= 2941, nxpk= 20, iat=1998,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=1992,1993,1994,
 &end
#
# 126 ALA          HN    0 AMB   20-1:2942  4.00   (#   2942:20      Single   Ambig  )
 &rst
  ixpk= 2942, nxpk= 20, iat=1988,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2=1992,1993,1994,1982,1983,1984,
 &end
#
#   0 AMB   20-2:2943    0 AMB   20-1:2943  2.80   (#   2943:20      Double   Ambig  )
 &rst
  ixpk= 2943, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1980,1990,
 igr2=1982,1983,1984,1992,1993,1994,
 &end
#
# 122 GLU         HG+  126 ALA          MB  5.50   (#   2944:20  Preassigned   3.76, 6.57 A)
 &rst
  ixpk= 2944, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1936,1937,
 igr2=1992,1993,1994,
 &end
#
#   0 AMB   20-2:2949  113 ILE         QG2  5.50   (#   2949:20      Single   Ambig  )
 &rst
  ixpk= 2949, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1261,1262,1261,1262,
 igr2=1774,1775,1776,
 &end
#
# 131 LEU          HA  113 ILE         QG2  6.00   (#   2952:20  Preassigned   3.94, 5.45 A)
 &rst
  ixpk= 2952, nxpk= 20, iat=2070,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1774,1775,1776,
 &end
#
# 127 VAL          HA  113 ILE         QG2  5.50   (#   2953:20  Preassigned   3.14, 4.11 A)
 &rst
  ixpk= 2953, nxpk= 20, iat=2000,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1774,1775,1776,
 &end
#
# 114 PRO         HD+  113 ILE         QG2  5.50   (#   2954:20  Preassigned   2.34, 3.66 A)
 &rst
  ixpk= 2954, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1788,1789,
 igr2=1774,1775,1776,
 &end
#
#  82 MET         HG+  113 ILE         QG2  5.50   (#   2955:20  Preassigned   3.06, 5.03 A)
 &rst
  ixpk= 2955, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1264,1265,
 igr2=1774,1775,1776,
 &end
#
# 130 LEU         HB+  113 ILE         QG2  5.50   (#   2956:20  Preassigned   2.56, 4.75 A)
 &rst
  ixpk= 2956, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2053,2054,
 igr2=1774,1775,1776,
 &end
#
# 113 ILE          HB  113 ILE         QG2  4.00   (#   2957:20  Preassigned   2.36, 2.65 A)
 &rst
  ixpk= 2957, nxpk= 20, iat=1772,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=1774,1775,1776,
 &end
#
#  46 ASP          HN   49 ALA          MB  5.50   (#   2961:20  Preassigned   2.98, 3.95 A)
 &rst
  ixpk= 2961, nxpk= 20, iat= 692,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 736, 737, 738,
 &end
#
#  49 ALA          HA   49 ALA          MB  4.00   (#   2962:20  Preassigned   2.36, 2.65 A)
 &rst
  ixpk= 2962, nxpk= 20, iat= 734,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 736, 737, 738,
 &end
#
#  46 ASP         HB+   49 ALA          MB  5.50   (#   2963:20  Preassigned   2.20, 4.11 A)
 &rst
  ixpk= 2963, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 696, 697,
 igr2= 736, 737, 738,
 &end
#
#  46 ASP         HB-   49 ALA          MB  5.50   (#   2964:20  Preassigned   2.20, 4.11 A)
 &rst
  ixpk= 2964, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 696, 697,
 igr2= 736, 737, 738,
 &end
#
#  17 PRO         HG-   49 ALA          MB  5.50   (#   2965:20  Preassigned   3.27, 4.74 A)
 &rst
  ixpk= 2965, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 256, 257,
 igr2= 736, 737, 738,
 &end
#
#   0 AMB   20-2:2966   49 ALA          MB  5.50   (#   2966:20      Single   Ambig  )
 &rst
  ixpk= 2966, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
       901, 902,
 igr2= 736, 737, 738,
 &end
#
#  48 THR          HN   49 ALA          MB  5.50   (#   2967:20  Preassigned   4.52, 5.10 A)
 &rst
  ixpk= 2967, nxpk= 20, iat= 718,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 736, 737, 738,
 &end
#
#  53 ALA          HN   49 ALA          MB  5.50   (#   2968:20  Preassigned   4.38, 5.25 A)
 &rst
  ixpk= 2968, nxpk= 20, iat= 788,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 736, 737, 738,
 &end
#
#   0 AMB   20-2:2971   49 ALA          MB  5.50   (#   2971:20      Single   Ambig  )
 &rst
  ixpk= 2971, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
 igr1= 686, 687, 688, 256, 257,
 igr2= 736, 737, 738,
 &end
#
#  54 ALA          HN   54 ALA          MB  4.00   (#   2972:20  Preassigned   2.54, 2.97 A)
 &rst
  ixpk= 2972, nxpk= 20, iat= 798,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 802, 803, 804,
 &end
#
#  53 ALA          HN   54 ALA          MB  5.50   (#   2973:20  Preassigned   4.77, 5.49 A)
 &rst
  ixpk= 2973, nxpk= 20, iat= 788,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 802, 803, 804,
 &end
#
#   0 AMB   20-2:2975   54 ALA          MB  4.00   (#   2975:20      Single   Ambig  )
 &rst
  ixpk= 2975, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1= 808, 852, 853,
 igr2= 802, 803, 804,
 &end
#
#  51 SER          HA   54 ALA          MB  4.00   (#   2977:20  Preassigned   2.72, 4.25 A)
 &rst
  ixpk= 2977, nxpk= 20, iat= 763,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 802, 803, 804,
 &end
#
#  54 ALA          HA   54 ALA          MB  4.00   (#   2978:20  Preassigned   2.40, 2.65 A)
 &rst
  ixpk= 2978, nxpk= 20, iat= 800,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 802, 803, 804,
 &end
#
#   0 AMB   20-2:2979   54 ALA          MB  5.50   (#   2979:20      Single   Ambig  )
 &rst
  ixpk= 2979, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 812, 813, 861, 862,
 igr2= 802, 803, 804,
 &end
#
#  50 ILE         QG2   54 ALA          MB  5.50   (#   2980:20  Preassigned   2.72, 4.47 A)
 &rst
  ixpk= 2980, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 748, 749, 750,
 igr2= 802, 803, 804,
 &end
#
#  57 GLN         HG+   54 ALA          MB  5.50   (#   2981:20  Preassigned   4.73, 7.50 A)
 &rst
  ixpk= 2981, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 847, 848,
 igr2= 802, 803, 804,
 &end
#
# 113 ILE          HA  113 ILE         QG2  5.50   (#   2982:20  Preassigned   2.60, 3.24 A)
 &rst
  ixpk= 2982, nxpk= 20, iat=1770,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1774,1775,1776,
 &end
#
#  36 GLY          HN   68 ILE         QG2  6.00   (#   2983:20  Preassigned   4.42, 5.69 A)
 &rst
  ixpk= 2983, nxpk= 20, iat= 568,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1013,1014,1015,
 &end
#
#  68 ILE          HN   68 ILE         QG2  5.50   (#   2984:20  Preassigned   1.99, 3.03 A)
 &rst
  ixpk= 2984, nxpk= 20, iat=1007,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1013,1014,1015,
 &end
#
#  67 GLN        HE2+   68 ILE         QG2  5.50   (#   2985:20  Preassigned   2.46, 4.77 A)
 &rst
  ixpk= 2985, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1002,1003,
 igr2=1013,1014,1015,
 &end
#
#  67 GLN        HE2-   68 ILE         QG2  4.00   (#   2986:20      Unique   2.46, 4.77 A)
 &rst
  ixpk= 2986, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1002,1003,
 igr2=1013,1014,1015,
 &end
#
#  37 LEU          HA   68 ILE         QG2  4.00   (#   2987:20  Preassigned   2.16, 2.86 A)
 &rst
  ixpk= 2987, nxpk= 20, iat= 577,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=1013,1014,1015,
 &end
#
#  68 ILE          HB   68 ILE         QG2  4.00   (#   2988:20  Preassigned   2.39, 2.66 A)
 &rst
  ixpk= 2988, nxpk= 20, iat=1011,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=1013,1014,1015,
 &end
#
#  68 ILE        HG1+   68 ILE         QG2  4.00   (#   2989:20  Preassigned   2.39, 3.29 A)
 &rst
  ixpk= 2989, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1017,1018,
 igr2=1013,1014,1015,
 &end
#
#  35 ALA          MB   68 ILE         QG2  5.50   (#   2990:20  Preassigned   4.46, 6.02 A)
 &rst
  ixpk= 2990, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 562, 563, 564,
 igr2=1013,1014,1015,
 &end
#
#  93 MET          ME   68 ILE         QG2  4.00   (#   2991:20  Preassigned   2.29, 4.15 A)
 &rst
  ixpk= 2991, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1=1466,1467,1468,
 igr2=1013,1014,1015,
 &end
#
#  67 GLN          HA   68 ILE         QG2  5.50   (#   2993:20  Preassigned   3.83, 5.07 A)
 &rst
  ixpk= 2993, nxpk= 20, iat= 992,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1013,1014,1015,
 &end
#
#   2 PHE          HE    1 MET          ME  5.50   (#   2996:20  Preassigned   2.80, 7.26 A)
 &rst
  ixpk= 2996, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  31,  35,
 igr2=  15,  16,  17,
 &end
#
#   2 PHE          HD    1 MET          ME  6.00   (#   2997:20  Preassigned   2.82, 6.58 A)
 &rst
  ixpk= 2997, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=  29,  37,
 igr2=  15,  16,  17,
 &end
#
#  67 GLN        HE2+   93 MET          ME  6.00   (#   2998:20  Preassigned   2.22, 5.23 A)
 &rst
  ixpk= 2998, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1002,1003,
 igr2=1466,1467,1468,
 &end
#
#   0 AMB   20-2:3000   68 ILE         QD1  5.50   (#   3000:20      Single   Ambig  )
 &rst
  ixpk= 3000, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1104,1085,
 igr2=1020,1021,1022,
 &end
#
#  69 SER          HN   68 ILE         QD1  5.50   (#   3001:20  Preassigned   2.09, 3.87 A)
 &rst
  ixpk= 3001, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1020,1021,1022,
 &end
#
#  35 ALA          MB   68 ILE         QD1  4.00   (#   3004:20  Preassigned   2.70, 4.87 A)
 &rst
  ixpk= 3004, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1= 562, 563, 564,
 igr2=1020,1021,1022,
 &end
#
#  68 ILE          HN   68 ILE         QD1  5.50   (#   3005:20  Preassigned   4.46, 5.22 A)
 &rst
  ixpk= 3005, nxpk= 20, iat=1007,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1020,1021,1022,
 &end
#
#  93 MET          ME   68 ILE         QD1  5.50   (#   3008:20  Preassigned   3.93, 6.70 A)
 &rst
  ixpk= 3008, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1466,1467,1468,
 igr2=1020,1021,1022,
 &end
#
#   0 AMB   20-2:3009   68 ILE         QD1  4.00   (#   3009:20      Single   Ambig  )
 &rst
  ixpk= 3009, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1=1017,1018,1011,
 igr2=1020,1021,1022,
 &end
#
#  68 ILE        HG1+   68 ILE         QD1  2.80   (#   3010:20  Preassigned   2.37, 2.65 A)
 &rst
  ixpk= 3010, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1017,1018,
 igr2=1020,1021,1022,
 &end
#
#   6 LEU         MDY   68 ILE         QD1  5.50   (#   3011:20  Preassigned   2.25, 4.68 A)
 &rst
  ixpk= 3011, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2=1020,1021,1022,
 &end
#
#   0 AMB   20-2:3012    5 ILE         QG2  5.50   (#   3012:20      Single   Ambig  )
 &rst
  ixpk= 3012, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 532,1205,
 igr2=  75,  76,  77,
 &end
#
#  32 VAL          HA    5 ILE         QG2  5.50   (#   3013:20  Preassigned   3.26, 4.33 A)
 &rst
  ixpk= 3013, nxpk= 20, iat= 518,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  75,  76,  77,
 &end
#
#  79 ILE          HA    5 ILE         QG2  5.50   (#   3014:20  Preassigned   3.91, 5.09 A)
 &rst
  ixpk= 3014, nxpk= 20, iat=1207,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  75,  76,  77,
 &end
#
#  23 LEU         HB-    5 ILE         QG2  5.50   (#   3015:20  Preassigned   3.51, 5.32 A)
 &rst
  ixpk= 3015, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 352, 353,
 igr2=  75,  76,  77,
 &end
#
#  78 LEU         HB+    5 ILE         QG2  5.50   (#   3016:20  Preassigned   2.29, 4.66 A)
 &rst
  ixpk= 3016, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1190,1191,
 igr2=  75,  76,  77,
 &end
#
#   5 ILE        HG1-    5 ILE         QG2  4.00   (#   3017:20  Preassigned   2.27, 3.41 A)
 &rst
  ixpk= 3017, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=  79,  80,
 igr2=  75,  76,  77,
 &end
#
#   5 ILE          HN    5 ILE         QG2  5.50   (#   3018:20  Preassigned   4.26, 4.58 A)
 &rst
  ixpk= 3018, nxpk= 20, iat=  69,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  75,  76,  77,
 &end
#
#  80 LEU          HN    5 ILE         QG2  5.50   (#   3019:20  Preassigned   3.89, 4.81 A)
 &rst
  ixpk= 3019, nxpk= 20, iat=1224,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  75,  76,  77,
 &end
#
#   6 LEU          HN    5 ILE         QG2  5.50   (#   3020:20  Preassigned   2.47, 3.29 A)
 &rst
  ixpk= 3020, nxpk= 20, iat=  88,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  75,  76,  77,
 &end
#
#  78 LEU          HN    5 ILE         QG2  5.50   (#   3021:20  Preassigned   4.32, 5.56 A)
 &rst
  ixpk= 3021, nxpk= 20, iat=1186,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  75,  76,  77,
 &end
#
#   5 ILE          HA    5 ILE         QG2  4.00   (#   3022:20  Preassigned   2.48, 3.20 A)
 &rst
  ixpk= 3022, nxpk= 20, iat=  71,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=  75,  76,  77,
 &end
#
#   5 ILE          HB    5 ILE         QG2  4.00   (#   3023:20  Preassigned   2.43, 2.69 A)
 &rst
  ixpk= 3023, nxpk= 20, iat=  73,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=  75,  76,  77,
 &end
#
#  80 LEU         HB+    5 ILE         QG2  5.50   (#   3024:20  Preassigned   4.28, 5.94 A)
 &rst
  ixpk= 3024, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1228,1229,
 igr2=  75,  76,  77,
 &end
#
#   5 ILE        HG1+    5 ILE         QG2  4.00   (#   3025:20  Preassigned   2.27, 3.41 A)
 &rst
  ixpk= 3025, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=  79,  80,
 igr2=  75,  76,  77,
 &end
#
#   0 AMB   20-2:3026    5 ILE         QG2  4.00   (#   3026:20      Single   Ambig  )
 &rst
  ixpk= 3026, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
 igr1= 522, 523, 524, 526, 527, 528, 357, 358, 359, 361,
       362, 363,
 igr2=  75,  76,  77,
 &end
#
#  23 LEU         MDX    5 ILE         QG2  4.00   (#   3027:20  Preassigned   2.43, 5.31 A)
 &rst
  ixpk= 3027, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1= 357, 358, 359, 361, 362, 363,
 igr2=  75,  76,  77,
 &end
#
#  32 VAL         MGY    5 ILE         QG2  4.00   (#   3028:20  Preassigned   2.12, 4.62 A)
 &rst
  ixpk= 3028, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1= 522, 523, 524, 526, 527, 528,
 igr2=  75,  76,  77,
 &end
#
#   5 ILE         QD1    5 ILE         QG2  2.80   (#   3029:20  Preassigned   2.20, 4.03 A)
 &rst
  ixpk= 3029, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=  82,  83,  84,
 igr2=  75,  76,  77,
 &end
#
#  78 LEU         MDX    5 ILE         QG2  5.50   (#   3030:20  Preassigned   2.36, 5.66 A)
 &rst
  ixpk= 3030, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1195,1196,1197,1199,1200,1201,
 igr2=  75,  76,  77,
 &end
#
#  80 LEU         MDY    5 ILE         QG2  5.50   (#   3031:20  Preassigned   2.23, 5.16 A)
 &rst
  ixpk= 3031, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1233,1234,1235,1237,1238,1239,
 igr2=  75,  76,  77,
 &end
#
#  80 LEU         MDX    5 ILE         QG2  4.00   (#   3033:20  Preassigned   2.23, 5.16 A)
 &rst
  ixpk= 3033, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1=1233,1234,1235,1237,1238,1239,
 igr2=  75,  76,  77,
 &end
#
#  73 CYS          HN   93 MET          ME  6.00   (#   3034:20  Preassigned   5.53, 7.38 A)
 &rst
  ixpk= 3034, nxpk= 20, iat=1104,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1466,1467,1468,
 &end
#
#  68 ILE          HN   93 MET          ME  6.00   (#   3035:20  Preassigned   4.35, 6.05 A)
 &rst
  ixpk= 3035, nxpk= 20, iat=1007,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1466,1467,1468,
 &end
#
#  94 ALA          HN   93 MET          ME  5.50   (#   3036:20  Preassigned   4.89, 6.46 A)
 &rst
  ixpk= 3036, nxpk= 20, iat=1472,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1466,1467,1468,
 &end
#
#  93 MET          HN   93 MET          ME  5.50   (#   3037:20  Preassigned   3.94, 5.77 A)
 &rst
  ixpk= 3037, nxpk= 20, iat=1455,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1466,1467,1468,
 &end
#
#  67 GLN        HE2-   93 MET          ME  5.50   (#   3038:20  Preassigned   2.22, 5.23 A)
 &rst
  ixpk= 3038, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1002,1003,
 igr2=1466,1467,1468,
 &end
#
#  47 PRO          HA   50 ILE         QG2  4.00   (#   3040:20  Preassigned   3.87, 4.64 A)
 &rst
  ixpk= 3040, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 748, 749, 750,
 &end
#
#  51 SER         HB-   50 ILE         QG2  6.00   (#   3042:20  Preassigned   5.27, 6.70 A)
 &rst
  ixpk= 3042, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 765, 766,
 igr2= 748, 749, 750,
 &end
#
#   0 AMB   20-2:3043   50 ILE         QG2  5.50   (#   3043:20      Single   Ambig  )
 &rst
  ixpk= 3043, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 913, 914, 913, 914,
 igr2= 748, 749, 750,
 &end
#
#  61 GLU         HB+   50 ILE         QG2  6.00   (#   3044:20      Unique   2.72, 7.50 A)
 &rst
  ixpk= 3044, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 910, 911,
 igr2= 748, 749, 750,
 &end
#
#   0 AMB   20-2:3045   50 ILE         QG2  4.00   (#   3045:20      Single   Ambig  )
 &rst
  ixpk= 3045, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.28, r4= 7.03,
 igr1= 802, 803, 804, 891, 892,
 igr2= 748, 749, 750,
 &end
#
#  50 ILE          HN   50 ILE         QG2  5.50   (#   3047:20  Preassigned   4.30, 4.58 A)
 &rst
  ixpk= 3047, nxpk= 20, iat= 742,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 748, 749, 750,
 &end
#
#  53 ALA          HN   50 ILE         QG2  5.50   (#   3048:20  Preassigned   5.59, 6.37 A)
 &rst
  ixpk= 3048, nxpk= 20, iat= 788,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 748, 749, 750,
 &end
#
#  51 SER          HN   50 ILE         QG2  5.50   (#   3049:20  Preassigned   3.21, 4.31 A)
 &rst
  ixpk= 3049, nxpk= 20, iat= 761,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 748, 749, 750,
 &end
#
#  50 ILE          HA   50 ILE         QG2  4.00   (#   3050:20  Preassigned   2.57, 3.23 A)
 &rst
  ixpk= 3050, nxpk= 20, iat= 744,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 748, 749, 750,
 &end
#
#  50 ILE          HB   50 ILE         QG2  4.00   (#   3051:20  Preassigned   2.46, 2.67 A)
 &rst
  ixpk= 3051, nxpk= 20, iat= 746,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 748, 749, 750,
 &end
#
#  49 ALA          MB   50 ILE         QG2  5.50   (#   3052:20  Preassigned   6.28, 7.42 A)
 &rst
  ixpk= 3052, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 736, 737, 738,
 igr2= 748, 749, 750,
 &end
#
#  50 ILE        HG1+   50 ILE         QG2  4.00   (#   3053:20  Preassigned   2.47, 3.52 A)
 &rst
  ixpk= 3053, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 752, 753,
 igr2= 748, 749, 750,
 &end
#
#   0 AMB   20-2:3054   50 ILE         QG2  5.50   (#   3054:20      Single   Ambig  )
 &rst
  ixpk= 3054, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
       901, 902,
 igr2= 748, 749, 750,
 &end
#
#  72 LEU         HB+   68 ILE         QD1  5.50   (#   3055:20  Preassigned   2.27, 3.98 A)
 &rst
  ixpk= 3055, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1089,1090,
 igr2=1020,1021,1022,
 &end
#
#  90 LEU          HG   68 ILE         QD1  5.50   (#   3056:20  Preassigned   2.95, 5.29 A)
 &rst
  ixpk= 3056, nxpk= 20, iat=1417,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1020,1021,1022,
 &end
#
#  72 LEU         HB+   68 ILE         QD1  5.50   (#   3057:20  Preassigned   2.27, 3.98 A)
 &rst
  ixpk= 3057, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1089,1090,
 igr2=1020,1021,1022,
 &end
#
#   8 VAL         MGY   68 ILE         QD1  4.00   (#   3058:20  Preassigned   2.17, 4.12 A)
 &rst
  ixpk= 3058, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1= 129, 130, 131, 133, 134, 135,
 igr2=1020,1021,1022,
 &end
#
#   6 LEU         MDX   68 ILE         QD1  4.00   (#   3059:20  Preassigned   2.25, 4.68 A)
 &rst
  ixpk= 3059, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2=1020,1021,1022,
 &end
#
#  74 ARG          HN   97 MET          ME  7.00   (#   3061:20  Preassigned   4.70, 6.35 A)
 &rst
  ixpk= 3061, nxpk= 20, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2=1522,1523,1524,
 &end
#
#  74 ARG          HA   97 MET          ME  5.50   (#   3062:20  Preassigned   2.61, 4.94 A)
 &rst
  ixpk= 3062, nxpk= 20, iat=1117,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1522,1523,1524,
 &end
#
#  79 ILE          HN   97 MET          ME  7.00   (#   3063:20  Preassigned   4.19, 5.59 A)
 &rst
  ixpk= 3063, nxpk= 20, iat=1205,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2=1522,1523,1524,
 &end
#
#   0 AMB   20-2:3064   97 MET          ME  5.50   (#   3064:20      Single   Ambig  )
 &rst
  ixpk= 3064, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1559,1511,
 igr2=1522,1523,1524,
 &end
#
#  76 TYR          HN   97 MET          ME  5.50   (#   3065:20  Preassigned   4.16, 5.58 A)
 &rst
  ixpk= 3065, nxpk= 20, iat=1153,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1522,1523,1524,
 &end
#
#  97 MET          HA   97 MET          ME  5.50   (#   3066:20  Preassigned   2.28, 4.25 A)
 &rst
  ixpk= 3066, nxpk= 20, iat=1513,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1522,1523,1524,
 &end
#
#  78 LEU          HA   97 MET          ME  5.50   (#   3067:20  Preassigned   3.42, 5.23 A)
 &rst
  ixpk= 3067, nxpk= 20, iat=1188,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1522,1523,1524,
 &end
#
#  60 LEU         HB+   50 ILE         QG2  5.50   (#   3068:20  Preassigned   3.24, 5.78 A)
 &rst
  ixpk= 3068, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 891, 892,
 igr2= 748, 749, 750,
 &end
#
#  45 ALA          MB   50 ILE         QG2  5.50   (#   3069:20  Preassigned   5.16, 6.58 A)
 &rst
  ixpk= 3069, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 686, 687, 688,
 igr2= 748, 749, 750,
 &end
#
# 103 LEU         HB+   87 ILE         QG2  5.50   (#   3071:20      Unique   2.21, 6.34 A)
 &rst
  ixpk= 3071, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1618,1619,
 igr2=1358,1359,1360,
 &end
#
# 102 MET          HA   87 ILE         QG2  6.00   (#   3072:20  Preassigned   4.11, 5.49 A)
 &rst
  ixpk= 3072, nxpk= 20, iat=1599,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1358,1359,1360,
 &end
#
#  88 GLU          HA   87 ILE         QG2  5.50   (#   3073:20  Preassigned   3.50, 4.77 A)
 &rst
  ixpk= 3073, nxpk= 20, iat=1373,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1358,1359,1360,
 &end
#
#  84 LYS          HA   87 ILE         QG2  6.00   (#   3074:20  Preassigned   2.07, 4.83 A)
 &rst
  ixpk= 3074, nxpk= 20, iat=1291,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1358,1359,1360,
 &end
#
#  88 GLU         HG+   87 ILE         QG2  5.50   (#   3075:20  Preassigned   3.90, 6.35 A)
 &rst
  ixpk= 3075, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1378,1379,
 igr2=1358,1359,1360,
 &end
#
#  87 ILE          HB   87 ILE         QG2  4.00   (#   3076:20  Preassigned   2.33, 2.64 A)
 &rst
  ixpk= 3076, nxpk= 20, iat=1356,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=1358,1359,1360,
 &end
#
#   0 AMB   20-2:3077   87 ILE         QG2  7.00   (#   3077:20      Single   Ambig  )
 &rst
  ixpk= 3077, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1375,1376,1375,1376,
 igr2=1358,1359,1360,
 &end
#
# 101 VAL          HB   87 ILE         QG2  5.50   (#   3078:20  Preassigned   3.55, 5.26 A)
 &rst
  ixpk= 3078, nxpk= 20, iat=1585,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1358,1359,1360,
 &end
#
#  87 ILE          HN   87 ILE         QG2  5.50   (#   3081:20  Preassigned   1.80, 4.49 A)
 &rst
  ixpk= 3081, nxpk= 20, iat=1352,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1358,1359,1360,
 &end
#
#  88 GLU          HN   87 ILE         QG2  5.50   (#   3082:20  Preassigned   3.24, 4.34 A)
 &rst
  ixpk= 3082, nxpk= 20, iat=1371,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1358,1359,1360,
 &end
#
#  87 ILE          HA   87 ILE         QG2  4.00   (#   3084:20  Preassigned   2.47, 3.20 A)
 &rst
  ixpk= 3084, nxpk= 20, iat=1354,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=1358,1359,1360,
 &end
#
#  87 ILE        HG1+   87 ILE         QG2  5.50   (#   3085:20  Preassigned   2.41, 3.54 A)
 &rst
  ixpk= 3085, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1362,1363,
 igr2=1358,1359,1360,
 &end
#
# 103 LEU         MDY   87 ILE         QG2  5.50   (#   3086:20  Preassigned   2.87, 7.18 A)
 &rst
  ixpk= 3086, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1623,1624,1625,1627,1628,1629,
 igr2=1358,1359,1360,
 &end
#
# 103 LEU          HN  102 MET          ME  5.50   (#   3087:20  Preassigned   4.29, 6.33 A)
 &rst
  ixpk= 3087, nxpk= 20, iat=1614,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1608,1609,1610,
 &end
#
# 100 LYS          HA  102 MET          ME  5.50   (#   3088:20  Preassigned   2.50, 4.83 A)
 &rst
  ixpk= 3088, nxpk= 20, iat=1561,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1608,1609,1610,
 &end
#
# 102 MET          HN  102 MET          ME  7.00   (#   3089:20  Preassigned   4.49, 5.47 A)
 &rst
  ixpk= 3089, nxpk= 20, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2=1608,1609,1610,
 &end
#
# 138 TRP         HZ2  102 MET          ME  4.00   (#   3091:20  Preassigned   3.26, 4.88 A)
 &rst
  ixpk= 3091, nxpk= 20, iat=2201,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=1608,1609,1610,
 &end
#
# 138 TRP         HZ3  102 MET          ME  5.50   (#   3093:20      Unique   2.56, 3.60 A)
 &rst
  ixpk= 3093, nxpk= 20, iat=2205,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1608,1609,1610,
 &end
#
# 101 VAL          HN  102 MET          ME  7.00   (#   3094:20  Preassigned   5.07, 6.68 A)
 &rst
  ixpk= 3094, nxpk= 20, iat=1581,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2=1608,1609,1610,
 &end
#
# 102 MET          HA  102 MET          ME  5.50   (#   3096:20  Preassigned   3.49, 5.52 A)
 &rst
  ixpk= 3096, nxpk= 20, iat=1599,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1608,1609,1610,
 &end
#
# 106 HIS         HB-  102 MET          ME  5.50   (#   3097:20  Preassigned   5.90, 7.26 A)
 &rst
  ixpk= 3097, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1664,1665,
 igr2=1608,1609,1610,
 &end
#
#  73 CYS         HB-   79 ILE         QD1  6.00   (#   3117:20  Preassigned   3.56, 5.83 A)
 &rst
  ixpk= 3117, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1108,1109,
 igr2=1218,1219,1220,
 &end
#
#  73 CYS         HB+   79 ILE         QD1  5.50   (#   3118:20  Preassigned   3.56, 5.83 A)
 &rst
  ixpk= 3118, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1108,1109,
 igr2=1218,1219,1220,
 &end
#
#  73 CYS          HA   79 ILE         QD1  5.50   (#   3119:20  Preassigned   2.75, 4.01 A)
 &rst
  ixpk= 3119, nxpk= 20, iat=1106,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1218,1219,1220,
 &end
#
#  97 MET          ME   79 ILE         QD1  4.00   (#   3120:20  Preassigned   2.22, 3.86 A)
 &rst
  ixpk= 3120, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1=1522,1523,1524,
 igr2=1218,1219,1220,
 &end
#
#  79 ILE          HN   79 ILE         QD1  5.50   (#   3121:20  Preassigned   2.69, 4.21 A)
 &rst
  ixpk= 3121, nxpk= 20, iat=1205,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1218,1219,1220,
 &end
#
#  76 TYR          HD   79 ILE         QD1  5.50   (#   3123:20  Preassigned   3.88, 5.52 A)
 &rst
  ixpk= 3123, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1161,1170,
 igr2=1218,1219,1220,
 &end
#
#  79 ILE          HA   79 ILE         QD1  5.50   (#   3124:20  Preassigned   2.32, 3.77 A)
 &rst
  ixpk= 3124, nxpk= 20, iat=1207,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1218,1219,1220,
 &end
#
#  79 ILE        HG1+   79 ILE         QD1  4.00   (#   3126:20  Preassigned   2.28, 2.63 A)
 &rst
  ixpk= 3126, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1215,1216,
 igr2=1218,1219,1220,
 &end
#
#  78 LEU         HB-   79 ILE         QD1  5.50   (#   3128:20  Preassigned   4.71, 6.31 A)
 &rst
  ixpk= 3128, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1190,1191,
 igr2=1218,1219,1220,
 &end
#
#  80 LEU          HN   79 ILE         QD1  5.50   (#   3129:20  Preassigned   4.48, 5.97 A)
 &rst
  ixpk= 3129, nxpk= 20, iat=1224,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1218,1219,1220,
 &end
#
#   0 AMB   20-2:3130   79 ILE         QD1  4.00   (#   3130:20      Single   Ambig  )
 &rst
  ixpk= 3130, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1157,1158,1518,1519,
 igr2=1218,1219,1220,
 &end
#
#  97 MET         HB-   79 ILE         QD1  5.50   (#   3131:20  Preassigned   3.48, 5.89 A)
 &rst
  ixpk= 3131, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1515,1516,
 igr2=1218,1219,1220,
 &end
#
#  79 ILE          HB   79 ILE         QD1  4.00   (#   3132:20  Preassigned   2.54, 3.51 A)
 &rst
  ixpk= 3132, nxpk= 20, iat=1209,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=1218,1219,1220,
 &end
#
#  79 ILE         QG2   79 ILE         QD1  4.00   (#   3133:20  Preassigned   2.32, 4.16 A)
 &rst
  ixpk= 3133, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1=1211,1212,1213,
 igr2=1218,1219,1220,
 &end
#
#   6 LEU         MDX   79 ILE         QD1  5.50   (#   3134:20  Preassigned   2.28, 5.66 A)
 &rst
  ixpk= 3134, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2=1218,1219,1220,
 &end
#
#   0 AMB   20-2:3135   79 ILE         QD1  7.00   (#   3135:20      Single   Ambig  )
 &rst
  ixpk= 3135, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1155,  90,
 igr2=1218,1219,1220,
 &end
#
#  97 MET         HG+   79 ILE         QD1  5.50   (#   3136:20  Preassigned   2.59, 5.57 A)
 &rst
  ixpk= 3136, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1518,1519,
 igr2=1218,1219,1220,
 &end
#
#   5 ILE         QG2   79 ILE         QD1  5.50   (#   3137:20      Unique   5.23, 7.71 A)
 &rst
  ixpk= 3137, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=  75,  76,  77,
 igr2=1218,1219,1220,
 &end
#
#   0 AMB   20-2:3138   79 ILE         QD1  5.50   (#   3138:20      Single   Ambig  )
 &rst
  ixpk= 3138, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1157,1158,1518,1519,
 igr2=1218,1219,1220,
 &end
#
#  87 ILE          HA   87 ILE         QD1  4.00   (#   3145:20  Preassigned   2.18, 3.20 A)
 &rst
  ixpk= 3145, nxpk= 20, iat=1354,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=1365,1366,1367,
 &end
#
#   6 LEU         HB-   79 ILE         QD1  2.80   (#   3146:20  Preassigned   2.28, 3.91 A)
 &rst
  ixpk= 3146, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  92,  93,
 igr2=1218,1219,1220,
 &end
#
#   5 ILE          HN    5 ILE         QD1  7.00   (#   3148:20  Preassigned   2.27, 4.25 A)
 &rst
  ixpk= 3148, nxpk= 20, iat=  69,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2=  82,  83,  84,
 &end
#
#  80 LEU         MDX    5 ILE         QD1  6.00   (#   3149:20  Preassigned   3.80, 7.47 A)
 &rst
  ixpk= 3149, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
 igr1=1233,1234,1235,1237,1238,1239,
 igr2=  82,  83,  84,
 &end
#
# 103 LEU         HB+   87 ILE         QD1  4.00   (#   3150:20  Preassigned   2.18, 4.20 A)
 &rst
  ixpk= 3150, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1618,1619,
 igr2=1365,1366,1367,
 &end
#
# 103 LEU          HA   87 ILE         QD1  5.50   (#   3151:20  Preassigned   2.29, 3.78 A)
 &rst
  ixpk= 3151, nxpk= 20, iat=1616,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1365,1366,1367,
 &end
#
#   6 LEU          HN    5 ILE         QD1  5.50   (#   3153:20  Preassigned   4.56, 5.88 A)
 &rst
  ixpk= 3153, nxpk= 20, iat=  88,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  82,  83,  84,
 &end
#
#  80 LEU         MDX    5 ILE         QD1  5.50   (#   3156:20  Preassigned   3.80, 7.47 A)
 &rst
  ixpk= 3156, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1233,1234,1235,1237,1238,1239,
 igr2=  82,  83,  84,
 &end
#
#   4 ASN          HN    5 ILE         QD1  5.50   (#   3157:20      Unique   2.04, 5.39 A)
 &rst
  ixpk= 3157, nxpk= 20, iat=  55,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  82,  83,  84,
 &end
#
#   6 LEU          HN    5 ILE         QD1  5.50   (#   3158:20  Preassigned   4.56, 5.88 A)
 &rst
  ixpk= 3158, nxpk= 20, iat=  88,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  82,  83,  84,
 &end
#
#   2 PHE          HD    5 ILE         QD1  5.50   (#   3159:20  Preassigned   2.33, 5.65 A)
 &rst
  ixpk= 3159, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  29,  37,
 igr2=  82,  83,  84,
 &end
#
#   2 PHE          HA    5 ILE         QD1  5.50   (#   3160:20  Preassigned   4.76, 6.11 A)
 &rst
  ixpk= 3160, nxpk= 20, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  82,  83,  84,
 &end
#
#   0 AMB   20-2:3161    5 ILE         QD1  7.00   (#   3161:20      Single   Ambig  )
 &rst
  ixpk= 3161, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 477,1188,
 igr2=  82,  83,  84,
 &end
#
#   2 PHE         HB-    5 ILE         QD1  5.50   (#   3162:20  Preassigned   2.43, 4.06 A)
 &rst
  ixpk= 3162, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  25,  26,
 igr2=  82,  83,  84,
 &end
#
#   2 PHE         HB+    5 ILE         QD1  5.50   (#   3163:20  Preassigned   2.43, 4.06 A)
 &rst
  ixpk= 3163, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  25,  26,
 igr2=  82,  83,  84,
 &end
#
#  31 LYS         HB-    5 ILE         QD1  5.50   (#   3164:20  Preassigned   4.47, 7.23 A)
 &rst
  ixpk= 3164, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 498, 499,
 igr2=  82,  83,  84,
 &end
#
#   5 ILE          HB    5 ILE         QD1  4.00   (#   3165:20  Preassigned   2.54, 3.37 A)
 &rst
  ixpk= 3165, nxpk= 20, iat=  73,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=  82,  83,  84,
 &end
#
#  30 LEU         HB-    5 ILE         QD1  5.50   (#   3166:20  Preassigned   2.42, 4.96 A)
 &rst
  ixpk= 3166, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 479, 480,
 igr2=  82,  83,  84,
 &end
#
#   5 ILE        HG1+    5 ILE         QD1  4.00   (#   3167:20      Unique   2.34, 2.64 A)
 &rst
  ixpk= 3167, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=  79,  80,
 igr2=  82,  83,  84,
 &end
#
#  78 LEU         HB+    5 ILE         QD1  5.50   (#   3168:20  Preassigned   2.28, 4.54 A)
 &rst
  ixpk= 3168, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1190,1191,
 igr2=  82,  83,  84,
 &end
#
#   0 AMB   20-2:3169    5 ILE         QD1  2.80   (#   3169:20      Single   Ambig  )
 &rst
  ixpk= 3169, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1190,1191,  79,  80,
 igr2=  82,  83,  84,
 &end
#
#   0 AMB   20-2:3170    5 ILE         QD1  2.80   (#   3170:20      Single   Ambig  )
 &rst
  ixpk= 3170, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=2258,2259,2260,2262,2263,2264, 522, 523, 524, 526,
       527, 528,
 igr2=  82,  83,  84,
 &end
#
#   0 AMB   20-2:3171    5 ILE         QD1  2.80   (#   3171:20      Single   Ambig  )
 &rst
  ixpk= 3171, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
 igr1=  75,  76,  77,1195,1196,1197,1199,1200,1201,
 igr2=  82,  83,  84,
 &end
#
#   5 ILE          HN    5 ILE         QD1  5.50   (#   3173:20  Preassigned   2.27, 4.25 A)
 &rst
  ixpk= 3173, nxpk= 20, iat=  69,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  82,  83,  84,
 &end
#
#  78 LEU          HN    5 ILE         QD1  5.50   (#   3174:20  Preassigned   3.92, 6.13 A)
 &rst
  ixpk= 3174, nxpk= 20, iat=1186,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  82,  83,  84,
 &end
#
#  87 ILE          HN   87 ILE         QD1  5.50   (#   3175:20  Preassigned   3.04, 4.15 A)
 &rst
  ixpk= 3175, nxpk= 20, iat=1352,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1365,1366,1367,
 &end
#
#  88 GLU          HN   87 ILE         QD1  5.50   (#   3176:20  Preassigned   5.04, 5.79 A)
 &rst
  ixpk= 3176, nxpk= 20, iat=1371,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1365,1366,1367,
 &end
#
# 102 MET          HA   87 ILE         QD1  5.50   (#   3177:20  Preassigned   2.27, 3.47 A)
 &rst
  ixpk= 3177, nxpk= 20, iat=1599,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1365,1366,1367,
 &end
#
#  84 LYS          HA   87 ILE         QD1  4.00   (#   3178:20  Preassigned   4.21, 4.82 A)
 &rst
  ixpk= 3178, nxpk= 20, iat=1291,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=1365,1366,1367,
 &end
#
#  87 ILE          HA   87 ILE         QD1  5.50   (#   3180:20  Preassigned   2.18, 3.20 A)
 &rst
  ixpk= 3180, nxpk= 20, iat=1354,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1365,1366,1367,
 &end
#
#  87 ILE          HB   87 ILE         QD1  4.00   (#   3181:20  Preassigned   2.38, 3.92 A)
 &rst
  ixpk= 3181, nxpk= 20, iat=1356,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=1365,1366,1367,
 &end
#
#   0 AMB   20-2:3182   87 ILE         QD1  2.80   (#   3182:20      Single   Ambig  )
 &rst
  ixpk= 3182, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1618,1619,1362,1363,
 igr2=1365,1366,1367,
 &end
#
# 103 LEU         MDY   87 ILE         QD1  4.00   (#   3183:20  Preassigned   2.85, 5.47 A)
 &rst
  ixpk= 3183, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
 igr1=1623,1624,1625,1627,1628,1629,
 igr2=1365,1366,1367,
 &end
#
# 103 LEU          HN   87 ILE         QD1  5.50   (#   3184:20  Preassigned   3.12, 4.02 A)
 &rst
  ixpk= 3184, nxpk= 20, iat=1614,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1365,1366,1367,
 &end
#
# 131 LEU          HN  113 ILE         QD1  5.50   (#   3185:20  Preassigned   3.09, 4.36 A)
 &rst
  ixpk= 3185, nxpk= 20, iat=2068,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1781,1782,1783,
 &end
#
# 104 PHE          HD  113 ILE         QD1  4.00   (#   3186:20  Preassigned   2.47, 4.70 A)
 &rst
  ixpk= 3186, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1641,1649,
 igr2=1781,1782,1783,
 &end
#
# 114 PRO         HD-  113 ILE         QD1  5.50   (#   3188:20  Preassigned   4.81, 6.01 A)
 &rst
  ixpk= 3188, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1788,1789,
 igr2=1781,1782,1783,
 &end
#
# 113 ILE        HG1-  113 ILE         QD1  5.50   (#   3190:20  Preassigned   2.35, 2.65 A)
 &rst
  ixpk= 3190, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1778,1779,
 igr2=1781,1782,1783,
 &end
#
# 105 GLY          HN  113 ILE         QD1  6.00   (#   3191:20  Preassigned   3.39, 4.95 A)
 &rst
  ixpk= 3191, nxpk= 20, iat=1653,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1781,1782,1783,
 &end
#
# 113 ILE          HN  113 ILE         QD1  5.50   (#   3192:20  Preassigned   4.22, 4.74 A)
 &rst
  ixpk= 3192, nxpk= 20, iat=1768,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1781,1782,1783,
 &end
#
# 113 ILE          HA  113 ILE         QD1  5.50   (#   3195:20  Preassigned   4.06, 4.52 A)
 &rst
  ixpk= 3195, nxpk= 20, iat=1770,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1781,1782,1783,
 &end
#
# 105 GLY         HA-  113 ILE         QD1  6.00   (#   3196:20  Preassigned   2.69, 5.26 A)
 &rst
  ixpk= 3196, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1655,1656,
 igr2=1781,1782,1783,
 &end
#
# 131 LEU          HA  113 ILE         QD1  5.50   (#   3197:20  Preassigned   2.53, 3.27 A)
 &rst
  ixpk= 3197, nxpk= 20, iat=2070,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1781,1782,1783,
 &end
#
# 134 SER         HB+  113 ILE         QD1  5.50   (#   3198:20  Preassigned   2.62, 4.19 A)
 &rst
  ixpk= 3198, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2130,2131,
 igr2=1781,1782,1783,
 &end
#
# 104 PHE         HB+  113 ILE         QD1  6.00   (#   3199:20  Preassigned   2.17, 3.37 A)
 &rst
  ixpk= 3199, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1637,1638,
 igr2=1781,1782,1783,
 &end
#
# 130 LEU         HB+  113 ILE         QD1  4.00   (#   3200:20  Preassigned   2.57, 5.32 A)
 &rst
  ixpk= 3200, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=2053,2054,
 igr2=1781,1782,1783,
 &end
#
# 113 ILE          HB  113 ILE         QD1  4.00   (#   3201:20  Preassigned   2.63, 3.37 A)
 &rst
  ixpk= 3201, nxpk= 20, iat=1772,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=1781,1782,1783,
 &end
#
# 130 LEU         HB-  113 ILE         QD1  5.50   (#   3204:20  Preassigned   2.57, 5.32 A)
 &rst
  ixpk= 3204, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2053,2054,
 igr2=1781,1782,1783,
 &end
#
#  82 MET          ME  113 ILE         QD1  5.50   (#   3205:20  Preassigned   2.51, 4.97 A)
 &rst
  ixpk= 3205, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1268,1269,1270,
 igr2=1781,1782,1783,
 &end
#
# 131 LEU         MDY  113 ILE         QD1  2.80   (#   3206:20  Preassigned   2.31, 5.25 A)
 &rst
  ixpk= 3206, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=2077,2078,2079,2081,2082,2083,
 igr2=1781,1782,1783,
 &end
#
# 104 PHE          HA  113 ILE         QD1  5.50   (#   3207:20  Preassigned   4.56, 5.50 A)
 &rst
  ixpk= 3207, nxpk= 20, iat=1635,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1781,1782,1783,
 &end
#
# 104 PHE          HE  113 ILE         QD1  6.00   (#   3208:20  Preassigned   4.68, 6.36 A)
 &rst
  ixpk= 3208, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1643,1647,
 igr2=1781,1782,1783,
 &end
#
#   8 VAL         MGY    8 VAL          HA  4.00   (#   3210:20  Preassigned   2.36, 3.18 A)
 &rst
  ixpk= 3210, nxpk= 20, iat=  -1, 125, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 129, 130, 131, 133, 134, 135,
 &end
#
#  32 VAL          HN   32 VAL          HA  5.50   (#   3212:20  Preassigned   2.88, 2.92 A)
 &rst
  ixpk= 3212, nxpk= 20, iat= 516, 518, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  78 LEU         MDY  101 VAL          HA  6.00   (#   3213:20  Preassigned   4.37, 6.70 A)
 &rst
  ixpk= 3213, nxpk= 20, iat=  -1,1583, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1195,1196,1197,1199,1200,1201,
 &end
#
#   0 AMB   20-2:3214  101 VAL          HA  2.80   (#   3214:20      Single   Ambig  )
 &rst
  ixpk= 3214, nxpk= 20, iat=  -1,1583, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1587,1588,1589,1591,1592,1593,1587,1588,1589,1591,
      1592,1593,
 &end
#
#   5 ILE          HN   32 VAL          HA  6.00   (#   3215:20  Preassigned   2.51, 2.95 A)
 &rst
  ixpk= 3215, nxpk= 20, iat=  69, 518, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  79 ILE         QG2  101 VAL          HA  5.50   (#   3217:20  Preassigned   2.94, 4.26 A)
 &rst
  ixpk= 3217, nxpk= 20, iat=  -1,1583, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1211,1212,1213,
 &end
#
# 101 VAL          HN  101 VAL          HA  5.50   (#   3218:20  Preassigned   2.89, 2.94 A)
 &rst
  ixpk= 3218, nxpk= 20, iat=1581,1583, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  79 ILE          HB  101 VAL          HA  5.50   (#   3219:20  Preassigned   2.09, 2.32 A)
 &rst
  ixpk= 3219, nxpk= 20, iat=1209,1583, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 102 MET          HN  101 VAL          HA  4.00   (#   3220:20  Preassigned   2.17, 2.24 A)
 &rst
  ixpk= 3220, nxpk= 20, iat=1597,1583, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 101 VAL          HB  101 VAL          HA  5.50   (#   3221:20  Preassigned   2.61, 3.03 A)
 &rst
  ixpk= 3221, nxpk= 20, iat=1585,1583, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   20-2:3222    0 AMB   20-1:3222  4.00   (#   3222:20      Double   Ambig  )
 &rst
  ixpk= 3222, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 532,1205,
 igr2= 518,1583,
 &end
#
#  32 VAL         MGX   32 VAL          HA  4.00   (#   3223:20      Unique   2.26, 3.26 A)
 &rst
  ixpk= 3223, nxpk= 20, iat=  -1, 518, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 522, 523, 524, 526, 527, 528,
 &end
#
#  32 VAL          HB   32 VAL          HA  5.50   (#   3224:20  Preassigned   2.36, 2.87 A)
 &rst
  ixpk= 3224, nxpk= 20, iat= 520, 518, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  79 ILE          HB   79 ILE          HA  5.50   (#   3234:20  Preassigned   3.01, 3.03 A)
 &rst
  ixpk= 3234, nxpk= 20, iat=1209,1207, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   6 LEU          HN   79 ILE          HA  5.50   (#   3235:20  Preassigned   2.64, 2.84 A)
 &rst
  ixpk= 3235, nxpk= 20, iat=  88,1207, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  79 ILE        HG1+   79 ILE          HA  5.50   (#   3236:20  Preassigned   2.53, 3.40 A)
 &rst
  ixpk= 3236, nxpk= 20, iat=  -1,1207, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1215,1216,
 &end
#
#  80 LEU          HN   79 ILE          HA  4.00   (#   3237:20  Preassigned   2.24, 2.33 A)
 &rst
  ixpk= 3237, nxpk= 20, iat=1224,1207, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  79 ILE        HG1-   79 ILE          HA  5.50   (#   3238:20  Preassigned   2.53, 3.40 A)
 &rst
  ixpk= 3238, nxpk= 20, iat=  -1,1207, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1215,1216,
 &end
#
#  79 ILE         QG2   79 ILE          HA  4.00   (#   3239:20  Preassigned   2.37, 3.13 A)
 &rst
  ixpk= 3239, nxpk= 20, iat=  -1,1207, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=1211,1212,1213,
 &end
#
#   0 AMB   20-2:3240   79 ILE          HA  5.50   (#   3240:20      Single   Ambig  )
 &rst
  ixpk= 3240, nxpk= 20, iat=  -1,1207, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1218,1219,1220, 129, 130, 131, 133, 134, 135,
 &end
#
#   0 AMB   20-2:3243   34 SER          HA  5.50   (#   3243:20      Single   Ambig  )
 &rst
  ixpk= 3243, nxpk= 20, iat=  -1, 549, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 551, 552, 551, 552,
 &end
#
#   7 VAL         MGY   34 SER          HA  5.50   (#   3244:20  Preassigned   2.24, 5.10 A)
 &rst
  ixpk= 3244, nxpk= 20, iat=  -1, 549, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 113, 114, 115, 117, 118, 119,
 &end
#
#   7 VAL          HN   34 SER          HA  4.00   (#   3245:20      Unique   1.89, 2.24 A)
 &rst
  ixpk= 3245, nxpk= 20, iat= 107, 549, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB   20-2:3246   34 SER          HA  5.50   (#   3246:20      Single   Ambig  )
 &rst
  ixpk= 3246, nxpk= 20, iat=  -1, 549, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  90, 560,
 &end
#
#   6 LEU         MDY   34 SER          HA  5.50   (#   3247:20  Preassigned   2.26, 4.65 A)
 &rst
  ixpk= 3247, nxpk= 20, iat=  -1, 549, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  97,  98,  99, 101, 102, 103,
 &end
#
#  35 ALA          HN   34 SER          HA  5.50   (#   3248:20  Preassigned   2.42, 2.54 A)
 &rst
  ixpk= 3248, nxpk= 20, iat= 558, 549, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  82 MET          HN   82 MET          HA  5.50   (#   3249:20  Preassigned   2.86, 2.95 A)
 &rst
  ixpk= 3249, nxpk= 20, iat=1257,1259, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 104 PHE         HB+   82 MET          HA  6.00   (#   3251:20  Preassigned   2.06, 3.13 A)
 &rst
  ixpk= 3251, nxpk= 20, iat=  -1,1259, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1637,1638,
 &end
#
#  82 MET         HG+   82 MET          HA  5.50   (#   3253:20  Preassigned   2.22, 3.06 A)
 &rst
  ixpk= 3253, nxpk= 20, iat=  -1,1259, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1264,1265,
 &end
#
# 113 ILE         QD1   82 MET          HA  5.50   (#   3254:20  Preassigned   3.45, 4.78 A)
 &rst
  ixpk= 3254, nxpk= 20, iat=  -1,1259, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1781,1782,1783,
 &end
#
#  82 MET         HG-   82 MET          HA  5.50   (#   3255:20  Preassigned   2.22, 3.06 A)
 &rst
  ixpk= 3255, nxpk= 20, iat=  -1,1259, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1264,1265,
 &end
#
#  27 HIS         HB+   27 HIS          HA  5.50   (#   3257:20  Preassigned   2.39, 2.80 A)
 &rst
  ixpk= 3257, nxpk= 20, iat=  -1, 431, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 433, 434,
 &end
#
#  28 PRO         HD+   27 HIS          HA  4.00   (#   3258:20  Preassigned   2.11, 2.54 A)
 &rst
  ixpk= 3258, nxpk= 20, iat=  -1, 431, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 447, 448,
 &end
#
#  27 HIS          HN   27 HIS          HA  5.50   (#   3259:20  Preassigned   2.92, 2.97 A)
 &rst
  ixpk= 3259, nxpk= 20, iat= 429, 431, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  28 PRO         HD-   27 HIS          HA  5.50   (#   3260:20  Preassigned   2.11, 2.54 A)
 &rst
  ixpk= 3260, nxpk= 20, iat=  -1, 431, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 447, 448,
 &end
#
#  27 HIS         HB-   27 HIS          HA  5.50   (#   3261:20  Preassigned   2.39, 2.80 A)
 &rst
  ixpk= 3261, nxpk= 20, iat=  -1, 431, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 433, 434,
 &end
#
#  30 LEU         HB+   27 HIS          HA  5.50   (#   3263:20  Preassigned   4.34, 5.29 A)
 &rst
  ixpk= 3263, nxpk= 20, iat=  -1, 431, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 479, 480,
 &end
#
#  31 LYS          HN    4 ASN          HA  5.50   (#   3264:20  Preassigned   2.71, 3.79 A)
 &rst
  ixpk= 3264, nxpk= 20, iat= 494,  57, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   4 ASN         HB-    4 ASN          HA  5.50   (#   3265:20  Preassigned   2.41, 2.67 A)
 &rst
  ixpk= 3265, nxpk= 20, iat=  -1,  57, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  59,  60,
 &end
#
#  31 LYS         HG-    4 ASN          HA  5.50   (#   3266:20  Preassigned   2.20, 3.15 A)
 &rst
  ixpk= 3266, nxpk= 20, iat=  -1,  57, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 501, 502,
 &end
#
#   4 ASN         HB+    4 ASN          HA  5.50   (#   3267:20  Preassigned   2.41, 2.67 A)
 &rst
  ixpk= 3267, nxpk= 20, iat=  -1,  57, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  59,  60,
 &end
#
#  31 LYS         HB-    4 ASN          HA  5.50   (#   3268:20  Preassigned   2.12, 3.49 A)
 &rst
  ixpk= 3268, nxpk= 20, iat=  -1,  57, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 498, 499,
 &end
#
#  31 LYS         HB+    4 ASN          HA  5.50   (#   3269:20  Preassigned   2.12, 3.49 A)
 &rst
  ixpk= 3269, nxpk= 20, iat=  -1,  57, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 498, 499,
 &end
#
#   5 ILE         QD1    4 ASN          HA  5.50   (#   3270:20  Preassigned   3.45, 5.31 A)
 &rst
  ixpk= 3270, nxpk= 20, iat=  -1,  57, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  82,  83,  84,
 &end
#
#   5 ILE          HN    4 ASN          HA  2.80   (#   3271:20  Preassigned   2.10, 2.24 A)
 &rst
  ixpk= 3271, nxpk= 20, iat=  69,  57, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   4 ASN          HN    4 ASN          HA  5.50   (#   3272:20  Preassigned   2.89, 2.94 A)
 &rst
  ixpk= 3272, nxpk= 20, iat=  55,  57, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   4 ASN         HB-    4 ASN          HA  5.50   (#   3273:20  Preassigned   2.41, 2.67 A)
 &rst
  ixpk= 3273, nxpk= 20, iat=  -1,  57, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  59,  60,
 &end
#
#  81 THR          HN   80 LEU          HA  5.50   (#   3274:20  Preassigned   2.29, 2.36 A)
 &rst
  ixpk= 3274, nxpk= 20, iat=1243,1226, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  80 LEU         HB+   80 LEU          HA  5.50   (#   3275:20  Preassigned   2.38, 2.73 A)
 &rst
  ixpk= 3275, nxpk= 20, iat=  -1,1226, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1228,1229,
 &end
#
#   0 AMB   20-2:3276   80 LEU          HA  4.00   (#   3276:20      Single   Ambig  )
 &rst
  ixpk= 3276, nxpk= 20, iat=  -1,1226, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=1228,1229,1231,
 &end
#
#  80 LEU         MDY   80 LEU          HA  4.00   (#   3277:20  Preassigned   2.20, 3.76 A)
 &rst
  ixpk= 3277, nxpk= 20, iat=  -1,1226, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1233,1234,1235,1237,1238,1239,
 &end
#
#   0 AMB   20-2:3278   80 LEU          HA  5.50   (#   3278:20      Single   Ambig  )
 &rst
  ixpk= 3278, nxpk= 20, iat=  -1,1226, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1597,1224,
 &end
#
#  80 LEU         MDX   80 LEU          HA  5.50   (#   3279:20  Preassigned   2.20, 3.76 A)
 &rst
  ixpk= 3279, nxpk= 20, iat=  -1,1226, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1233,1234,1235,1237,1238,1239,
 &end
#
#  30 LEU         MDX   27 HIS          HA  6.00   (#   3282:20  Preassigned   4.07, 6.72 A)
 &rst
  ixpk= 3282, nxpk= 20, iat=  -1, 431, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 484, 485, 486, 488, 489, 490,
 &end
#
#   6 LEU         HB-   79 ILE          HA  6.00   (#   3284:20  Preassigned   2.29, 3.43 A)
 &rst
  ixpk= 3284, nxpk= 20, iat=  -1,1207, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=  92,  93,
 &end
#
#  30 LEU         MDX    3 ASN          HA  6.00   (#   3285:20  Preassigned   2.21, 5.10 A)
 &rst
  ixpk= 3285, nxpk= 20, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 484, 485, 486, 488, 489, 490,
 &end
#
#  30 LEU         MDY    3 ASN          HA  4.00   (#   3286:20  Preassigned   2.21, 5.10 A)
 &rst
  ixpk= 3286, nxpk= 20, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 484, 485, 486, 488, 489, 490,
 &end
#
#   0 AMB   20-2:3287    3 ASN          HA  5.50   (#   3287:20      Single   Ambig  )
 &rst
  ixpk= 3287, nxpk= 20, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  45,  46,  45,  46,
 &end
#
# 108 ASP         HB-  108 ASP          HA  5.50   (#   3288:20  Preassigned   2.43, 2.78 A)
 &rst
  ixpk= 3288, nxpk= 20, iat=  -1,1703, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1705,1706,
 &end
#
# 108 ASP         HB+  108 ASP          HA  4.00   (#   3289:20  Preassigned   2.43, 2.78 A)
 &rst
  ixpk= 3289, nxpk= 20, iat=  -1,1703, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1705,1706,
 &end
#
# 109 ASN         HB-  108 ASP          HA  5.50   (#   3290:20  Preassigned   3.94, 4.49 A)
 &rst
  ixpk= 3290, nxpk= 20, iat=  -1,1703, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1717,1718,
 &end
#
# 109 ASN          HA  108 ASP          HA  5.50   (#   3291:20  Preassigned   4.46, 4.70 A)
 &rst
  ixpk= 3291, nxpk= 20, iat=1715,1703, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   7 VAL         MGX    7 VAL          HA  5.50   (#   3292:20  Preassigned   2.33, 3.16 A)
 &rst
  ixpk= 3292, nxpk= 20, iat=  -1, 109, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 113, 114, 115, 117, 118, 119,
 &end
#
#   7 VAL         MGY    7 VAL          HA  4.00   (#   3293:20  Preassigned   2.33, 3.16 A)
 &rst
  ixpk= 3293, nxpk= 20, iat=  -1, 109, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 113, 114, 115, 117, 118, 119,
 &end
#
#   8 VAL         MGX    7 VAL          HA  5.50   (#   3294:20  Preassigned   3.10, 5.46 A)
 &rst
  ixpk= 3294, nxpk= 20, iat=  -1, 109, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 129, 130, 131, 133, 134, 135,
 &end
#
#  80 LEU         HB-    7 VAL          HA  5.50   (#   3295:20  Preassigned   2.16, 3.95 A)
 &rst
  ixpk= 3295, nxpk= 20, iat=  -1, 109, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1228,1229,
 &end
#
#   7 VAL          HB    7 VAL          HA  5.50   (#   3296:20  Preassigned   2.38, 3.01 A)
 &rst
  ixpk= 3296, nxpk= 20, iat= 111, 109, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   20-2:3300   28 PRO          HA  7.00   (#   3300:20      Single   Ambig  )
 &rst
  ixpk= 3300, nxpk= 20, iat=  -1, 456, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 374, 375, 374, 375,
 &end
#
#   0 AMB   20-2:3301  113 ILE          HA  2.80   (#   3301:20      Single   Ambig  )
 &rst
  ixpk= 3301, nxpk= 20, iat=  -1,1770, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=2058,2059,2060,2062,2063,2064,1774,1775,1776,
 &end
#
# 113 ILE          HB  113 ILE          HA  4.00   (#   3303:20  Preassigned   3.01, 3.03 A)
 &rst
  ixpk= 3303, nxpk= 20, iat=1772,1770, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 114 PRO         HD+  113 ILE          HA  5.50   (#   3304:20  Preassigned   2.07, 2.38 A)
 &rst
  ixpk= 3304, nxpk= 20, iat=  -1,1770, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1788,1789,
 &end
#
# 114 PRO         HD-  113 ILE          HA  4.00   (#   3305:20  Preassigned   2.07, 2.38 A)
 &rst
  ixpk= 3305, nxpk= 20, iat=  -1,1770, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1788,1789,
 &end
#
# 137 GLN         HB+  134 SER          HA  6.00   (#   3312:20  Preassigned   2.10, 3.06 A)
 &rst
  ixpk= 3312, nxpk= 20, iat=  -1,2128, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=2175,2176,
 &end
#
# 137 GLN         HB-  134 SER          HA  5.50   (#   3313:20  Preassigned   2.10, 3.06 A)
 &rst
  ixpk= 3313, nxpk= 20, iat=  -1,2128, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2175,2176,
 &end
#
# 134 SER         HB+  134 SER          HA  5.50   (#   3314:20  Preassigned   2.38, 2.73 A)
 &rst
  ixpk= 3314, nxpk= 20, iat=  -1,2128, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2130,2131,
 &end
#
# 130 LEU         MDY  129 THR          HB  5.50   (#   3316:20  Preassigned   5.17, 6.89 A)
 &rst
  ixpk= 3316, nxpk= 20, iat=  -1,2039, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2058,2059,2060,2062,2063,2064,
 &end
#
# 111 CYS         HB+  105 GLY         HA-  6.00   (#   3319:20  Preassigned   2.18, 5.07 A)
 &rst
  ixpk= 3319, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1746,1747,
 igr2=1655,1656,
 &end
#
#  86 HIS         HB+   81 THR          HB  6.00   (#   3320:20  Preassigned   2.04, 3.65 A)
 &rst
  ixpk= 3320, nxpk= 20, iat=  -1,1247, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1339,1340,
 &end
#
# 123 THR          HB  123 THR          HA  5.50   (#   3321:20  Preassigned   2.97, 3.02 A)
 &rst
  ixpk= 3321, nxpk= 20, iat=1948,1946, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 116 PRO         HB-  116 PRO          HA  5.50   (#   3322:20  Preassigned   2.33, 2.53 A)
 &rst
  ixpk= 3322, nxpk= 20, iat=  -1,1823, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1820,1821,
 &end
#
# 127 VAL         MGY  116 PRO          HA  5.50   (#   3323:20  Preassigned   3.35, 5.26 A)
 &rst
  ixpk= 3323, nxpk= 20, iat=  -1,1823, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2004,2005,2006,2008,2009,2010,
 &end
#
# 119 LYS         HG-  116 PRO          HA  6.00   (#   3324:20  Preassigned   2.23, 4.28 A)
 &rst
  ixpk= 3324, nxpk= 20, iat=  -1,1823, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1879,1880,
 &end
#
# 119 LYS         HG+  116 PRO          HA  6.00   (#   3325:20  Preassigned   2.23, 4.28 A)
 &rst
  ixpk= 3325, nxpk= 20, iat=  -1,1823, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1879,1880,
 &end
#
# 119 LYS         HD-  116 PRO          HA  5.50   (#   3326:20  Preassigned   2.29, 4.44 A)
 &rst
  ixpk= 3326, nxpk= 20, iat=  -1,1823, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1882,1883,
 &end
#
# 116 PRO         HG+  116 PRO          HA  6.00   (#   3327:20      Unique   2.83, 3.95 A)
 &rst
  ixpk= 3327, nxpk= 20, iat=  -1,1823, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1817,1818,
 &end
#
#   0 AMB   20-2:3328  116 PRO          HA  5.50   (#   3328:20      Single   Ambig  )
 &rst
  ixpk= 3328, nxpk= 20, iat=  -1,1823, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1876,1877,1876,1877,
 &end
#
# 123 THR         MG2  116 PRO          HA  4.00   (#   3331:20  Preassigned   2.31, 3.60 A)
 &rst
  ixpk= 3331, nxpk= 20, iat=  -1,1823, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=1950,1951,1952,
 &end
#
#  98 ARG         HD-   98 ARG          HA  7.00   (#   3332:20  Preassigned   3.94, 4.57 A)
 &rst
  ixpk= 3332, nxpk= 20, iat=  -1,1530, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1538,1539,
 &end
#
#   0 AMB   20-2:3333   17 PRO          HA  5.50   (#   3333:20      Single   Ambig  )
 &rst
  ixpk= 3333, nxpk= 20, iat=  -1, 262, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 551, 552, 551, 552,
 &end
#
#   0 AMB   20-2:3334   53 ALA          HA  7.00   (#   3334:20      Single   Ambig  )
 &rst
  ixpk= 3334, nxpk= 20, iat=  -1, 790, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
       901, 902,
 &end
#
#  52 VAL         MGX   53 ALA          HA  5.50   (#   3335:20  Preassigned   3.40, 5.65 A)
 &rst
  ixpk= 3335, nxpk= 20, iat=  -1, 790, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 778, 779, 780, 782, 783, 784,
 &end
#
#  58 LEU         HB-   53 ALA          HA  6.00   (#   3336:20  Preassigned   3.02, 4.11 A)
 &rst
  ixpk= 3336, nxpk= 20, iat=  -1, 790, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 861, 862,
 &end
#
#  58 LEU         HB+   53 ALA          HA  5.50   (#   3337:20  Preassigned   3.02, 4.11 A)
 &rst
  ixpk= 3337, nxpk= 20, iat=  -1, 790, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 861, 862,
 &end
#
# 142 LEU         MDX  139 ALA          HA  5.50   (#   3338:20  Preassigned   2.27, 4.70 A)
 &rst
  ixpk= 3338, nxpk= 20, iat=  -1,2214, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2258,2259,2260,2262,2263,2264,
 &end
#
# 142 LEU         MDY  139 ALA          HA  5.50   (#   3339:20  Preassigned   2.27, 4.70 A)
 &rst
  ixpk= 3339, nxpk= 20, iat=  -1,2214, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2258,2259,2260,2262,2263,2264,
 &end
#
#   0 AMB   20-2:3340  121 ARG          HA  5.50   (#   3340:20      Single   Ambig  )
 &rst
  ixpk= 3340, nxpk= 20, iat=  -1,1907, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1896,1898,1899,
 &end
#
# 121 ARG         HD+  121 ARG          HA  5.50   (#   3341:20  Preassigned   3.51, 4.56 A)
 &rst
  ixpk= 3341, nxpk= 20, iat=  -1,1907, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1915,1916,
 &end
#
#   0 AMB   20-2:3346  114 PRO         HD-  4.00   (#   3346:20      Single   Ambig  )
 &rst
  ixpk= 3346, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1791,1792,2056,
 igr2=1788,1789,
 &end
#
#   0 AMB   20-2:3351   42 GLY         HA-  6.00   (#   3351:20      Single   Ambig  )
 &rst
  ixpk= 3351, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.81, r4= 9.56,
 igr1= 960, 961, 962, 660, 661,
 igr2= 648, 649,
 &end
#
#  34 SER          HA    0 AMB   20-1:3352  5.50   (#   3352:20      Single   Ambig  )
 &rst
  ixpk= 3352, nxpk= 20, iat= 549,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 551, 552, 551, 552,
 &end
#
#  37 LEU         MDX   89 ARG         HD-  6.00   (#   3354:20  Preassigned   2.45, 5.81 A)
 &rst
  ixpk= 3354, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 584, 585, 586, 588, 589, 590,
 igr2=1396,1397,
 &end
#
#  37 LEU         MDY   89 ARG         HD-  6.00   (#   3355:20  Preassigned   2.45, 5.81 A)
 &rst
  ixpk= 3355, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 584, 585, 586, 588, 589, 590,
 igr2=1396,1397,
 &end
#
#  95 PRO          HA   95 PRO         HD+  5.50   (#   3356:20  Preassigned   3.41, 3.76 A)
 &rst
  ixpk= 3356, nxpk= 20, iat=1492,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1483,1484,
 &end
#
#  93 MET          HA   95 PRO         HD+  6.00   (#   3357:20  Preassigned   3.98, 4.85 A)
 &rst
  ixpk= 3357, nxpk= 20, iat=1457,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1483,1484,
 &end
#
# 130 LEU         MDY  111 CYS         HB-  6.00   (#   3359:20  Preassigned   2.78, 6.19 A)
 &rst
  ixpk= 3359, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=2058,2059,2060,2062,2063,2064,
 igr2=1746,1747,
 &end
#
#  17 PRO         HB-   17 PRO         HD-  7.00   (#   3361:20      Unique   2.78, 3.75 A)
 &rst
  ixpk= 3361, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 259, 260,
 igr2= 253, 254,
 &end
#
#  45 ALA          MB   63 HIS         HB+  5.50   (#   3363:20  Preassigned   2.17, 4.10 A)
 &rst
  ixpk= 3363, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 686, 687, 688,
 igr2= 932, 933,
 &end
#
#  63 HIS          HA   63 HIS         HB+  5.50   (#   3364:20  Preassigned   2.45, 2.79 A)
 &rst
  ixpk= 3364, nxpk= 20, iat= 930,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 932, 933,
 &end
#
#  40 LEU          HA   41 VAL          HA  6.00   (#   3366:20  Preassigned   4.58, 4.70 A)
 &rst
  ixpk= 3366, nxpk= 20, iat= 613, 632, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  48 THR          HA   48 THR          HB  7.00   (#   3368:20  Preassigned   2.98, 3.01 A)
 &rst
  ixpk= 3368, nxpk= 20, iat= 720, 722, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
# 139 ALA          MB   27 HIS         HB-  5.50   (#   3369:20  Preassigned   2.71, 5.78 A)
 &rst
  ixpk= 3369, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2216,2217,2218,
 igr2= 433, 434,
 &end
#
# 113 ILE         QG2  115 ASP         HB-  5.50   (#   3370:20  Preassigned   5.87, 7.71 A)
 &rst
  ixpk= 3370, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1774,1775,1776,
 igr2=1805,1806,
 &end
#
#  83 GLU          HA  112 GLU         HG+  5.50   (#   3371:20  Preassigned   2.11, 4.11 A)
 &rst
  ixpk= 3371, nxpk= 20, iat=1276,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1760,1761,
 &end
#
#   0 AMB   20-2:3372    0 AMB   20-1:3372  7.00   (#   3372:20      Double   Ambig  )
 &rst
  ixpk= 3372, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
 igr1=1296,1297,1296,1297,
 igr2=1760,1761,1760,1761,
 &end
#
#  22 LEU         MDX  132 GLU         HG+  4.00   (#   3375:20  Preassigned   2.19, 4.11 A)
 &rst
  ixpk= 3375, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2=2094,2095,
 &end
#
# 132 GLU         HB-  132 GLU         HG+  4.00   (#   3376:20  Preassigned   2.21, 2.72 A)
 &rst
  ixpk= 3376, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=2091,2092,
 igr2=2094,2095,
 &end
#
# 136 ARG         HB-  132 GLU         HG+  5.50   (#   3377:20  Preassigned   3.28, 4.99 A)
 &rst
  ixpk= 3377, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2151,2152,
 igr2=2094,2095,
 &end
#
# 132 GLU          HA  132 GLU         HG+  5.50   (#   3378:20  Preassigned   2.42, 2.95 A)
 &rst
  ixpk= 3378, nxpk= 20, iat=2089,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2094,2095,
 &end
#
#  90 LEU         MDY   93 MET         HG+  7.00   (#   3380:20  Preassigned   4.13, 7.38 A)
 &rst
  ixpk= 3380, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1419,1420,1421,1423,1424,1425,
 igr2=1462,1463,
 &end
#
#  22 LEU         MDY  132 GLU         HG-  5.50   (#   3381:20  Preassigned   2.19, 4.11 A)
 &rst
  ixpk= 3381, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2=2094,2095,
 &end
#
#  22 LEU         MDX  132 GLU         HG-  5.50   (#   3382:20  Preassigned   2.19, 4.11 A)
 &rst
  ixpk= 3382, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2=2094,2095,
 &end
#
# 132 GLU          HA  132 GLU         HG-  7.00   (#   3383:20  Preassigned   2.42, 2.95 A)
 &rst
  ixpk= 3383, nxpk= 20, iat=2089,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=2094,2095,
 &end
#
# 132 GLU         HB-  132 GLU         HG-  4.00   (#   3384:20  Preassigned   2.21, 2.72 A)
 &rst
  ixpk= 3384, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=2091,2092,
 igr2=2094,2095,
 &end
#
#  47 PRO          HA   47 PRO         HG+  4.00   (#   3386:20  Preassigned   2.76, 3.47 A)
 &rst
  ixpk= 3386, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 708, 709,
 &end
#
# 114 PRO          HA  114 PRO         HB+  4.00   (#   3388:20  Preassigned   2.30, 2.66 A)
 &rst
  ixpk= 3388, nxpk= 20, iat=1797,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1794,1795,
 &end
#
#  47 PRO          HA   47 PRO         HB-  5.50   (#   3392:20  Preassigned   2.26, 2.66 A)
 &rst
  ixpk= 3392, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 711, 712,
 &end
#
#  47 PRO         HD-   47 PRO         HB-  5.50   (#   3394:20      Unique   2.84, 3.68 A)
 &rst
  ixpk= 3394, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 705, 706,
 igr2= 711, 712,
 &end
#
#  95 PRO          HA   95 PRO         HB+  4.00   (#   3395:20  Preassigned   2.28, 2.55 A)
 &rst
  ixpk= 3395, nxpk= 20, iat=1492,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1489,1490,
 &end
#
#  78 LEU         MDY  102 MET         HB+  6.00   (#   3396:20      Unique   2.69, 6.16 A)
 &rst
  ixpk= 3396, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1195,1196,1197,1199,1200,1201,
 igr2=1601,1602,
 &end
#
#  83 GLU          HA   83 GLU         HG+  5.50   (#   3399:20  Preassigned   2.35, 3.15 A)
 &rst
  ixpk= 3399, nxpk= 20, iat=1276,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1281,1282,
 &end
#
#  87 ILE          HA   90 LEU         HB+  5.50   (#   3400:20  Preassigned   2.69, 3.98 A)
 &rst
  ixpk= 3400, nxpk= 20, iat=1354,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1414,1415,
 &end
#
#  83 GLU          HA  112 GLU         HG-  6.00   (#   3401:20  Preassigned   2.11, 4.11 A)
 &rst
  ixpk= 3401, nxpk= 20, iat=1276,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1760,1761,
 &end
#
# 130 LEU          HA  130 LEU          HG  7.00   (#   3406:20  Preassigned   3.23, 3.50 A)
 &rst
  ixpk= 3406, nxpk= 20, iat=2051,2056, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  50 ILE          HA   50 ILE          HB  7.00   (#   3408:20  Preassigned   3.02, 3.04 A)
 &rst
  ixpk= 3408, nxpk= 20, iat= 744, 746, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
# 116 PRO         HB-  116 PRO         HG+  5.50   (#   3409:20  Preassigned   2.38, 2.64 A)
 &rst
  ixpk= 3409, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1820,1821,
 igr2=1817,1818,
 &end
#
# 100 LYS         HD+  100 LYS         HB-  4.00   (#   3410:20  Preassigned   2.46, 3.16 A)
 &rst
  ixpk= 3410, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1569,1570,
 igr2=1563,1564,
 &end
#
# 100 LYS         HD-  100 LYS         HB-  5.50   (#   3411:20  Preassigned   2.46, 3.16 A)
 &rst
  ixpk= 3411, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1569,1570,
 igr2=1563,1564,
 &end
#
#  66 ARG         HD-   66 ARG         HB+  5.50   (#   3413:20  Preassigned   2.37, 3.19 A)
 &rst
  ixpk= 3413, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 976, 977,
 igr2= 970, 971,
 &end
#
#   0 AMB   20-2:3414  100 LYS         HB-  7.00   (#   3414:20      Single   Ambig  )
 &rst
  ixpk= 3414, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1=1572,1573,1572,1573,
 igr2=1563,1564,
 &end
#
# 100 LYS          HA  100 LYS         HB-  4.00   (#   3415:20  Preassigned   2.35, 2.74 A)
 &rst
  ixpk= 3415, nxpk= 20, iat=1561,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1563,1564,
 &end
#
#  79 ILE        HG1+   79 ILE          HB  5.50   (#   3416:20  Preassigned   2.26, 2.57 A)
 &rst
  ixpk= 3416, nxpk= 20, iat=  -1,1209, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1215,1216,
 &end
#
#  97 MET          ME  100 LYS         HB-  7.00   (#   3418:20  Preassigned   2.16, 3.89 A)
 &rst
  ixpk= 3418, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1522,1523,1524,
 igr2=1563,1564,
 &end
#
#  48 THR         MG2  121 ARG         HB+  5.50   (#   3420:20  Preassigned   2.63, 4.57 A)
 &rst
  ixpk= 3420, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 724, 725, 726,
 igr2=1909,1910,
 &end
#
#   6 LEU         MDY   33 GLU         HB-  5.50   (#   3422:20  Preassigned   2.38, 5.12 A)
 &rst
  ixpk= 3422, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2= 536, 537,
 &end
#
#  33 GLU         HG+   33 GLU         HB-  5.50   (#   3424:20  Preassigned   2.27, 2.69 A)
 &rst
  ixpk= 3424, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 539, 540,
 igr2= 536, 537,
 &end
#
#  35 ALA          HA   66 ARG         HB-  5.50   (#   3425:20      Unique   2.67, 5.06 A)
 &rst
  ixpk= 3425, nxpk= 20, iat= 560,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 970, 971,
 &end
#
# 114 PRO         HD+  114 PRO         HG-  5.50   (#   3426:20  Preassigned   2.33, 2.61 A)
 &rst
  ixpk= 3426, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1788,1789,
 igr2=1791,1792,
 &end
#
#  66 ARG         HD-   66 ARG         HG+  5.50   (#   3427:20  Preassigned   2.30, 2.70 A)
 &rst
  ixpk= 3427, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 976, 977,
 igr2= 973, 974,
 &end
#
#  66 ARG         HD+   66 ARG         HG+  5.50   (#   3428:20  Preassigned   2.30, 2.70 A)
 &rst
  ixpk= 3428, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 976, 977,
 igr2= 973, 974,
 &end
#
#   7 VAL          HA   80 LEU         HB+  6.00   (#   3429:20  Preassigned   2.16, 3.95 A)
 &rst
  ixpk= 3429, nxpk= 20, iat= 109,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1228,1229,
 &end
#
#   7 VAL         MGX   80 LEU         HB+  5.50   (#   3430:20  Preassigned   2.26, 4.55 A)
 &rst
  ixpk= 3430, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 113, 114, 115, 117, 118, 119,
 igr2=1228,1229,
 &end
#
#  35 ALA          HA   66 ARG         HG-  5.50   (#   3433:20      Unique   2.22, 3.61 A)
 &rst
  ixpk= 3433, nxpk= 20, iat= 560,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 973, 974,
 &end
#
#  66 ARG          HA   66 ARG         HG-  7.00   (#   3434:20  Preassigned   2.47, 3.84 A)
 &rst
  ixpk= 3434, nxpk= 20, iat= 968,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 973, 974,
 &end
#
#  80 LEU         MDY  102 MET         HB-  4.00   (#   3435:20  Preassigned   2.23, 5.02 A)
 &rst
  ixpk= 3435, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1233,1234,1235,1237,1238,1239,
 igr2=1601,1602,
 &end
#
#  78 LEU         MDY  102 MET         HB-  5.50   (#   3436:20      Unique   2.69, 6.16 A)
 &rst
  ixpk= 3436, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1195,1196,1197,1199,1200,1201,
 igr2=1601,1602,
 &end
#
#   0 AMB   20-2:3437    0 AMB   20-1:3437  5.50   (#   3437:20      Double   Ambig  )
 &rst
  ixpk= 3437, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1= 620, 621, 622, 624, 625, 626, 620, 621, 622, 624,
       625, 626,
 igr2= 615, 616, 615, 616,
 &end
#
# 102 MET         HG-  102 MET         HB-  5.50   (#   3439:20  Preassigned   2.32, 2.73 A)
 &rst
  ixpk= 3439, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1604,1605,
 igr2=1601,1602,
 &end
#
# 102 MET          HA  102 MET         HB-  7.00   (#   3440:20  Preassigned   2.24, 2.71 A)
 &rst
  ixpk= 3440, nxpk= 20, iat=1599,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1601,1602,
 &end
#
#  40 LEU          HA   40 LEU         HB+  5.50   (#   3441:20  Preassigned   2.42, 2.78 A)
 &rst
  ixpk= 3441, nxpk= 20, iat= 613,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 615, 616,
 &end
#
#   0 AMB   20-2:3442    8 VAL          HB  5.50   (#   3442:20      Single   Ambig  )
 &rst
  ixpk= 3442, nxpk= 20, iat=  -1, 127, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1419,1420,1421,1423,1424,1425, 129, 130, 131, 133,
       134, 135,
 &end
#
# 103 LEU         MDY  103 LEU         HB+  5.50   (#   3443:20  Preassigned   2.38, 3.33 A)
 &rst
  ixpk= 3443, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1623,1624,1625,1627,1628,1629,
 igr2=1618,1619,
 &end
#
# 103 LEU         MDX  103 LEU         HB+  4.00   (#   3444:20  Preassigned   2.38, 3.33 A)
 &rst
  ixpk= 3444, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1623,1624,1625,1627,1628,1629,
 igr2=1618,1619,
 &end
#
#  37 LEU          HA   37 LEU          HG  5.50   (#   3445:20  Preassigned   2.35, 2.98 A)
 &rst
  ixpk= 3445, nxpk= 20, iat= 577, 582, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  85 ARG          HA   85 ARG         HG+  5.50   (#   3446:20  Preassigned   2.52, 3.30 A)
 &rst
  ixpk= 3446, nxpk= 20, iat=1313,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1318,1319,
 &end
#
#  85 ARG         HD+   85 ARG         HG+  5.50   (#   3447:20  Preassigned   2.28, 2.68 A)
 &rst
  ixpk= 3447, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1321,1322,
 igr2=1318,1319,
 &end
#
#  85 ARG         HD-   85 ARG         HG+  5.50   (#   3448:20  Preassigned   2.28, 2.68 A)
 &rst
  ixpk= 3448, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1321,1322,
 igr2=1318,1319,
 &end
#
#  60 LEU          HA   60 LEU         HB+  5.50   (#   3449:20  Preassigned   2.32, 2.72 A)
 &rst
  ixpk= 3449, nxpk= 20, iat= 889,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 891, 892,
 &end
#
#  45 ALA          MB   60 LEU         HB+  5.50   (#   3450:20  Preassigned   2.39, 4.21 A)
 &rst
  ixpk= 3450, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 686, 687, 688,
 igr2= 891, 892,
 &end
#
#   0 AMB   20-2:3451    0 AMB   20-1:3451  4.00   (#   3451:20      Double   Ambig  )
 &rst
  ixpk= 3451, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.63, r4= 8.38,
 igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
       901, 902,
 igr2= 891, 892, 891, 892,
 &end
#
#  37 LEU          HA   37 LEU         HB+  6.00   (#   3452:20  Preassigned   2.44, 2.79 A)
 &rst
  ixpk= 3452, nxpk= 20, iat= 577,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 579, 580,
 &end
#
#  78 LEU         MDX    5 ILE        HG1+  5.50   (#   3453:20  Preassigned   2.31, 5.71 A)
 &rst
  ixpk= 3453, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1195,1196,1197,1199,1200,1201,
 igr2=  79,  80,
 &end
#
# 126 ALA          HA  129 THR         MG2  5.50   (#   3454:20  Preassigned   4.58, 5.37 A)
 &rst
  ixpk= 3454, nxpk= 20, iat=1990,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=2041,2042,2043,
 &end
#
#  70 ARG         HG+   94 ALA          MB  4.00   (#   3455:20  Preassigned   2.33, 4.26 A)
 &rst
  ixpk= 3455, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1044,1045,
 igr2=1476,1477,1478,
 &end
#
#   0 AMB   20-2:3456   68 ILE          HB  5.50   (#   3456:20      Single   Ambig  )
 &rst
  ixpk= 3456, nxpk= 20, iat=  -1,1011, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 992, 560,
 &end
#
#  17 PRO         HD-   17 PRO         HG+  5.50   (#   3457:20  Preassigned   2.23, 2.59 A)
 &rst
  ixpk= 3457, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 253, 254,
 igr2= 256, 257,
 &end
#
#  17 PRO         HD+   17 PRO         HG+  5.50   (#   3458:20  Preassigned   2.23, 2.59 A)
 &rst
  ixpk= 3458, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 253, 254,
 igr2= 256, 257,
 &end
#
#  17 PRO         HB-   17 PRO         HG+  4.00   (#   3460:20  Preassigned   2.23, 2.60 A)
 &rst
  ixpk= 3460, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1= 259, 260,
 igr2= 256, 257,
 &end
#
#  35 ALA          MB   68 ILE        HG1-  5.50   (#   3462:20  Preassigned   3.70, 5.57 A)
 &rst
  ixpk= 3462, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 562, 563, 564,
 igr2=1017,1018,
 &end
#
#   0 AMB   20-2:3463    0 AMB   20-1:3463  4.00   (#   3463:20      Double   Ambig  )
 &rst
  ixpk= 3463, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
 igr1=1094,1095,1096,1098,1099,1100, 562, 563, 564,
 igr2=1017,1018,1017,1018,
 &end
#
#  19 ALA          HA   22 LEU         HB-  6.00   (#   3464:20  Preassigned   2.52, 3.61 A)
 &rst
  ixpk= 3464, nxpk= 20, iat= 282,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 333, 334,
 &end
#
#  26 TYR         HB+   23 LEU         MDY  5.50   (#   3465:20  Preassigned   3.46, 6.86 A)
 &rst
  ixpk= 3465, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 412, 413,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
#  19 ALA          HA   23 LEU         MDY  5.50   (#   3466:20  Preassigned   3.41, 5.78 A)
 &rst
  ixpk= 3466, nxpk= 20, iat= 282,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
# 116 PRO         HB-  123 THR         MG2  5.50   (#   3467:20  Preassigned   2.49, 4.57 A)
 &rst
  ixpk= 3467, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1820,1821,
 igr2=1950,1951,1952,
 &end
#
# 124 PHE          HA  123 THR         MG2  5.50   (#   3468:20  Preassigned   3.99, 5.39 A)
 &rst
  ixpk= 3468, nxpk= 20, iat=1960,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1950,1951,1952,
 &end
#
# 126 ALA          HA  130 LEU         MDX  5.50   (#   3469:20  Preassigned   6.02, 7.82 A)
 &rst
  ixpk= 3469, nxpk= 20, iat=1990,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2058,2059,2060,2062,2063,2064,
 &end
#
#  58 LEU         HB+   58 LEU         MDX  4.00   (#   3470:20  Preassigned   2.35, 3.38 A)
 &rst
  ixpk= 3470, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 861, 862,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#  80 LEU          HA   80 LEU         HB-  5.50   (#   3471:20  Preassigned   2.38, 2.73 A)
 &rst
  ixpk= 3471, nxpk= 20, iat=1226,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1228,1229,
 &end
#
#   7 VAL         MGX   80 LEU         HB-  6.00   (#   3472:20  Preassigned   2.26, 4.55 A)
 &rst
  ixpk= 3472, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 113, 114, 115, 117, 118, 119,
 igr2=1228,1229,
 &end
#
#   7 VAL         MGY   80 LEU         HB-  5.50   (#   3473:20  Preassigned   2.26, 4.55 A)
 &rst
  ixpk= 3473, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 113, 114, 115, 117, 118, 119,
 igr2=1228,1229,
 &end
#
#   6 LEU         MDX    8 VAL         MGX  5.50   (#   3474:20  Preassigned   2.35, 5.31 A)
 &rst
  ixpk= 3474, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2= 129, 130, 131, 133, 134, 135,
 &end
#
#   0 AMB   20-2:3475   32 VAL         MGX  5.50   (#   3475:20      Single   Ambig  )
 &rst
  ixpk= 3475, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 374, 375, 374, 375,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
#  36 GLY         HA-    8 VAL         MGX  5.50   (#   3478:20  Preassigned   2.34, 5.36 A)
 &rst
  ixpk= 3478, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 570, 571,
 igr2= 129, 130, 131, 133, 134, 135,
 &end
#
# 142 LEU          HG  142 LEU         MDX  4.00   (#   3480:20  Preassigned   2.41, 2.66 A)
 &rst
  ixpk= 3480, nxpk= 20, iat=2256,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2=2258,2259,2260,2262,2263,2264,
 &end
#
#   0 AMB   20-2:3482   79 ILE         QG2  5.50   (#   3482:20      Single   Ambig  )
 &rst
  ixpk= 3482, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1226,1245,
 igr2=1211,1212,1213,
 &end
#
#   0 AMB   20-2:3483   30 LEU         MDX  4.00   (#   3483:20      Single   Ambig  )
 &rst
  ixpk= 3483, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
 igr1=  79,  80, 479, 480,
 igr2= 484, 485, 486, 488, 489, 490,
 &end
#
#   0 AMB   20-2:3485    0 AMB   20-1:3485  4.00   (#   3485:20      Double   Ambig  )
 &rst
  ixpk= 3485, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 245, 246, 282,
 igr2= 113, 114, 115, 117, 118, 119, 284, 285, 286,
 &end
#
#   6 LEU         MDY    8 VAL         MGY  5.50   (#   3486:20  Preassigned   2.35, 5.31 A)
 &rst
  ixpk= 3486, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2= 129, 130, 131, 133, 134, 135,
 &end
#
#   6 LEU         MDX    8 VAL         MGY  4.00   (#   3487:20  Preassigned   2.35, 5.31 A)
 &rst
  ixpk= 3487, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2= 129, 130, 131, 133, 134, 135,
 &end
#
#  80 LEU         MDY    7 VAL         MGX  5.50   (#   3488:20  Preassigned   2.68, 6.60 A)
 &rst
  ixpk= 3488, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1233,1234,1235,1237,1238,1239,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
# 104 PHE         HB-   80 LEU         MDX  5.50   (#   3490:20  Preassigned   4.76, 7.45 A)
 &rst
  ixpk= 3490, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1637,1638,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
#   0 AMB   20-2:3494   34 SER          HA  5.50   (#   3494:20      Single   Ambig  )
 &rst
  ixpk= 3494, nxpk= 20, iat=  -1, 549, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1=  95, 129, 130, 131, 133, 134, 135,
 &end
#
#   7 VAL          HB   34 SER          HA  5.50   (#   3495:20  Preassigned   2.29, 3.12 A)
 &rst
  ixpk= 3495, nxpk= 20, iat= 111, 549, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  27 HIS         HD2   27 HIS          HA  7.00   (#   3497:20  Preassigned   3.20, 4.40 A)
 &rst
  ixpk= 3497, nxpk= 20, iat= 442, 431, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  83 GLU          HN   82 MET          HA  5.50   (#   3498:20  Preassigned   3.29, 3.45 A)
 &rst
  ixpk= 3498, nxpk= 20, iat=1274,1259, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 108 ASP          HN  108 ASP          HA  4.00   (#   3499:20      Unique   2.85, 2.89 A)
 &rst
  ixpk= 3499, nxpk= 20, iat=1701,1703, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 109 ASN          HN  108 ASP          HA  4.00   (#   3500:20  Preassigned   2.36, 2.76 A)
 &rst
  ixpk= 3500, nxpk= 20, iat=1713,1703, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB   20-2:3501    3 ASN          HA  5.50   (#   3501:20      Single   Ambig  )
 &rst
  ixpk= 3501, nxpk= 20, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  41,  55,
 &end
#
#   0 AMB   20-2:3502    7 VAL          HA  4.00   (#   3502:20      Single   Ambig  )
 &rst
  ixpk= 3502, nxpk= 20, iat=  -1, 109, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 123, 107,
 &end
#
# 101 VAL          HN  100 LYS          HA  5.50   (#   3503:20  Preassigned   3.04, 3.36 A)
 &rst
  ixpk= 3503, nxpk= 20, iat=1581,1561, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 100 LYS          HN  100 LYS          HA  5.50   (#   3504:20  Preassigned   2.92, 2.96 A)
 &rst
  ixpk= 3504, nxpk= 20, iat=1559,1561, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  36 GLY          HN   67 GLN          HA  5.50   (#   3506:20  Preassigned   2.46, 3.25 A)
 &rst
  ixpk= 3506, nxpk= 20, iat= 568, 992, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  67 GLN        HE2-   67 GLN          HA  5.50   (#   3507:20  Preassigned   3.58, 4.57 A)
 &rst
  ixpk= 3507, nxpk= 20, iat=  -1, 992, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1002,1003,
 &end
#
# 103 LEU          HN  103 LEU          HA  5.50   (#   3508:20  Preassigned   2.87, 2.94 A)
 &rst
  ixpk= 3508, nxpk= 20, iat=1614,1616, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 134 SER          HN  134 SER          HA  5.50   (#   3509:20  Preassigned   2.76, 2.79 A)
 &rst
  ixpk= 3509, nxpk= 20, iat=2126,2128, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 137 GLN          HN  134 SER          HA  5.50   (#   3510:20  Preassigned   3.20, 3.37 A)
 &rst
  ixpk= 3510, nxpk= 20, iat=2171,2128, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 137 GLN        HE2+  134 SER          HA  6.00   (#   3511:20  Preassigned   4.07, 5.13 A)
 &rst
  ixpk= 3511, nxpk= 20, iat=  -1,2128, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=2183,2184,
 &end
#
# 120 SER          HN  120 SER          HA  4.00   (#   3512:20  Preassigned   2.67, 2.77 A)
 &rst
  ixpk= 3512, nxpk= 20, iat=1894,1896, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 121 ARG          HN  120 SER          HA  5.50   (#   3513:20  Preassigned   2.19, 2.35 A)
 &rst
  ixpk= 3513, nxpk= 20, iat=1905,1896, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 117 TYR          HE  117 TYR          HA  5.50   (#   3515:20  Preassigned   4.53, 5.34 A)
 &rst
  ixpk= 3515, nxpk= 20, iat=  -1,1829, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1837,1842,
 &end
#
#  74 ARG          HN   74 ARG          HA  4.00   (#   3516:20  Preassigned   2.84, 2.89 A)
 &rst
  ixpk= 3516, nxpk= 20, iat=1115,1117, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  76 TYR          HN   74 ARG          HA  5.50   (#   3517:20  Preassigned   4.15, 4.46 A)
 &rst
  ixpk= 3517, nxpk= 20, iat=1153,1117, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 121 ARG          HN  120 SER         HB-  6.00   (#   3518:20  Preassigned   2.53, 3.22 A)
 &rst
  ixpk= 3518, nxpk= 20, iat=1905,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1898,1899,
 &end
#
# 119 LYS          HN  117 TYR          HA  6.00   (#   3519:20  Preassigned   3.29, 4.07 A)
 &rst
  ixpk= 3519, nxpk= 20, iat=1872,1829, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 104 PHE          HE  104 PHE          HA  7.00   (#   3520:20  Preassigned   4.55, 4.99 A)
 &rst
  ixpk= 3520, nxpk= 20, iat=  -1,1635, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1643,1647,
 &end
#
# 100 LYS          HN   99 GLY         HA+  6.00   (#   3521:20  Preassigned   2.74, 3.29 A)
 &rst
  ixpk= 3521, nxpk= 20, iat=1559,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1554,1555,
 &end
#
# 111 CYS          HN  105 GLY         HA-  6.00   (#   3522:20  Preassigned   2.49, 3.91 A)
 &rst
  ixpk= 3522, nxpk= 20, iat=1742,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1655,1656,
 &end
#
#  64 CYS          HN   63 HIS          HA  2.80   (#   3524:20  Preassigned   2.36, 2.47 A)
 &rst
  ixpk= 3524, nxpk= 20, iat= 945, 930, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  82 MET          HN   81 THR          HB  5.50   (#   3527:20  Preassigned   2.46, 3.62 A)
 &rst
  ixpk= 3527, nxpk= 20, iat=1257,1247, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   20-2:3528   81 THR          HB  7.00   (#   3528:20      Single   Ambig  )
 &rst
  ixpk= 3528, nxpk= 20, iat=  -1,1247, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1243, 123,
 &end
#
# 120 SER          HN  120 SER         HB+  5.50   (#   3529:20  Preassigned   2.50, 3.05 A)
 &rst
  ixpk= 3529, nxpk= 20, iat=1894,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1898,1899,
 &end
#
# 121 ARG          HN  120 SER         HB+  6.00   (#   3530:20  Preassigned   2.53, 3.22 A)
 &rst
  ixpk= 3530, nxpk= 20, iat=1905,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1898,1899,
 &end
#
#  51 SER          HN   47 PRO          HA  6.00   (#   3531:20  Preassigned   3.74, 3.97 A)
 &rst
  ixpk= 3531, nxpk= 20, iat= 761, 714, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  51 SER          HN   51 SER         HB+  5.50   (#   3532:20  Preassigned   2.56, 3.10 A)
 &rst
  ixpk= 3532, nxpk= 20, iat= 761,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 765, 766,
 &end
#
#  52 VAL          HN   51 SER         HB+  5.50   (#   3533:20  Preassigned   2.34, 3.02 A)
 &rst
  ixpk= 3533, nxpk= 20, iat= 772,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 765, 766,
 &end
#
# 101 VAL          HN   98 ARG          HA  5.50   (#   3534:20  Preassigned   2.91, 3.28 A)
 &rst
  ixpk= 3534, nxpk= 20, iat=1581,1530, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  58 LEU          HN   54 ALA          HA  2.80   (#   3535:20  Preassigned   2.49, 2.74 A)
 &rst
  ixpk= 3535, nxpk= 20, iat= 857, 800, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  54 ALA          HN   54 ALA          HA  5.50   (#   3536:20  Preassigned   2.84, 2.86 A)
 &rst
  ixpk= 3536, nxpk= 20, iat= 798, 800, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  38 GLY          HN   37 LEU          HA  6.00   (#   3540:20  Preassigned   3.53, 3.56 A)
 &rst
  ixpk= 3540, nxpk= 20, iat= 594, 577, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  93 MET          HN   91 CYS          HA  5.50   (#   3541:20  Preassigned   4.31, 4.41 A)
 &rst
  ixpk= 3541, nxpk= 20, iat=1455,1431, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  94 ALA          HN   90 LEU          HA  6.00   (#   3550:20  Preassigned   3.65, 4.07 A)
 &rst
  ixpk= 3550, nxpk= 20, iat=1472,1412, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  76 TYR          HE   73 CYS          HA  5.50   (#   3552:20  Preassigned   5.55, 7.07 A)
 &rst
  ixpk= 3552, nxpk= 20, iat=  -1,1106, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1163,1168,
 &end
#
# 134 SER          HN  134 SER         HB-  5.50   (#   3553:20  Preassigned   2.35, 3.04 A)
 &rst
  ixpk= 3553, nxpk= 20, iat=2126,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2130,2131,
 &end
#
#  74 ARG          HN   71 ARG          HA  6.00   (#   3554:20  Preassigned   3.21, 3.49 A)
 &rst
  ixpk= 3554, nxpk= 20, iat=1115,1063, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  56 HIS          HN   53 ALA          HA  5.50   (#   3555:20  Preassigned   3.06, 3.35 A)
 &rst
  ixpk= 3555, nxpk= 20, iat= 823, 790, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  27 HIS         HD2  139 ALA          HA  5.50   (#   3556:20  Preassigned   2.38, 3.12 A)
 &rst
  ixpk= 3556, nxpk= 20, iat= 442,2214, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 139 ALA          HN  139 ALA          HA  5.50   (#   3557:20  Preassigned   2.81, 2.84 A)
 &rst
  ixpk= 3557, nxpk= 20, iat=2212,2214, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 142 LEU          HN  139 ALA          HA  5.50   (#   3558:20  Preassigned   3.09, 3.29 A)
 &rst
  ixpk= 3558, nxpk= 20, iat=2249,2214, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 124 PHE          HD  121 ARG          HA  5.50   (#   3559:20  Preassigned   2.68, 4.46 A)
 &rst
  ixpk= 3559, nxpk= 20, iat=  -1,1907, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1966,1974,
 &end
#
#   0 AMB   20-2:3560  121 ARG          HA  7.00   (#   3560:20      Single   Ambig  )
 &rst
  ixpk= 3560, nxpk= 20, iat=  -1,1907, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1929,1978,
 &end
#
# 124 PHE          HN  121 ARG          HA  5.50   (#   3561:20  Preassigned   2.67, 3.05 A)
 &rst
  ixpk= 3561, nxpk= 20, iat=1958,1907, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 133 ARG          HN  132 GLU          HA  7.00   (#   3563:20  Preassigned   3.55, 3.60 A)
 &rst
  ixpk= 3563, nxpk= 20, iat=2102,2089, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
# 135 ALA          HN  132 GLU          HA  5.50   (#   3564:20  Preassigned   2.94, 3.15 A)
 &rst
  ixpk= 3564, nxpk= 20, iat=2137,2089, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  86 HIS          HN   84 LYS          HA  6.00   (#   3565:20  Preassigned   3.58, 3.92 A)
 &rst
  ixpk= 3565, nxpk= 20, iat=1335,1291, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 133 ARG          HN  129 THR          HA  6.00   (#   3570:20  Preassigned   3.84, 4.04 A)
 &rst
  ixpk= 3570, nxpk= 20, iat=2102,2037, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 128 TYR          HE  129 THR          HA  6.00   (#   3571:20  Preassigned   3.68, 5.80 A)
 &rst
  ixpk= 3571, nxpk= 20, iat=  -1,2037, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=2024,2029,
 &end
#
#  76 TYR          HN   73 CYS          HA  6.00   (#   3572:20  Preassigned   3.58, 3.76 A)
 &rst
  ixpk= 3572, nxpk= 20, iat=1153,1106, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  75 ASN          HN   73 CYS          HA  6.00   (#   3573:20  Preassigned   4.11, 4.21 A)
 &rst
  ixpk= 3573, nxpk= 20, iat=1139,1106, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 135 ALA          HN  134 SER         HB-  7.00   (#   3574:20  Preassigned   2.66, 3.39 A)
 &rst
  ixpk= 3574, nxpk= 20, iat=2137,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=2130,2131,
 &end
#
#   0 AMB   20-2:3575    0 AMB   20-1:3575  7.00   (#   3575:20      Double   Ambig  )
 &rst
  ixpk= 3575, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1978,2087,
 igr2=1960,2130,2131,
 &end
#
#  25 ARG          HN   22 LEU          HA  5.50   (#   3576:20  Preassigned   3.15, 3.32 A)
 &rst
  ixpk= 3576, nxpk= 20, iat= 384, 331, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  48 THR          HN   47 PRO         HD-  6.00   (#   3580:20  Preassigned   2.79, 3.70 A)
 &rst
  ixpk= 3580, nxpk= 20, iat= 718,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 705, 706,
 &end
#
#  20 GLU          HN   16 SER          HA  6.00   (#   3585:20  Preassigned   3.39, 3.70 A)
 &rst
  ixpk= 3585, nxpk= 20, iat= 290, 243, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  48 THR          HN   48 THR          HA  7.00   (#   3588:20  Preassigned   2.91, 2.92 A)
 &rst
  ixpk= 3588, nxpk= 20, iat= 718, 720, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
# 100 LYS          HN   99 GLY         HA-  5.50   (#   3589:20  Preassigned   2.74, 3.29 A)
 &rst
  ixpk= 3589, nxpk= 20, iat=1559,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1554,1555,
 &end
#
#   0 AMB   20-2:3590  127 VAL          HA  7.00   (#   3590:20      Single   Ambig  )
 &rst
  ixpk= 3590, nxpk= 20, iat=  -1,2000, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=2035,1988,
 &end
#
# 131 LEU          HN  127 VAL          HA  6.00   (#   3591:20  Preassigned   3.65, 3.86 A)
 &rst
  ixpk= 3591, nxpk= 20, iat=2068,2000, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  19 ALA          HN   18 THR          HA  6.00   (#   3592:20  Preassigned   3.58, 3.60 A)
 &rst
  ixpk= 3592, nxpk= 20, iat= 280, 268, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 134 SER          HN  134 SER         HB+  7.00   (#   3593:20  Preassigned   2.35, 3.04 A)
 &rst
  ixpk= 3593, nxpk= 20, iat=2126,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=2130,2131,
 &end
#
# 104 PHE          HD  134 SER         HB+  6.00   (#   3594:20  Preassigned   2.01, 4.20 A)
 &rst
  ixpk= 3594, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1641,1649,
 igr2=2130,2131,
 &end
#
# 131 LEU          HN  128 TYR          HA  6.00   (#   3595:20  Preassigned   3.36, 3.69 A)
 &rst
  ixpk= 3595, nxpk= 20, iat=2068,2016, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 117 TYR          HD  118 ARG          HA  5.50   (#   3598:20  Preassigned   3.51, 5.43 A)
 &rst
  ixpk= 3598, nxpk= 20, iat=  -1,1850, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1835,1844,
 &end
#
#  23 LEU          HN   19 ALA          HA  5.50   (#   3599:20  Preassigned   3.71, 3.87 A)
 &rst
  ixpk= 3599, nxpk= 20, iat= 348, 282, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 137 GLN          HN  136 ARG          HA  6.00   (#   3600:20  Preassigned   3.52, 3.54 A)
 &rst
  ixpk= 3600, nxpk= 20, iat=2171,2149, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  26 TYR          HD  136 ARG          HA  7.00   (#   3601:20  Preassigned   2.60, 4.13 A)
 &rst
  ixpk= 3601, nxpk= 20, iat=  -1,2149, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 416, 425,
 &end
#
#  89 ARG          HN   89 ARG         HD-  7.00   (#   3604:20  Preassigned   2.25, 4.00 A)
 &rst
  ixpk= 3604, nxpk= 20, iat=1386,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1396,1397,
 &end
#
#  96 GLU          HN   95 PRO         HD+  6.00   (#   3605:20  Preassigned   2.79, 3.52 A)
 &rst
  ixpk= 3605, nxpk= 20, iat=1496,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1483,1484,
 &end
#
#  18 THR          HN   17 PRO         HD+  6.00   (#   3607:20  Preassigned   2.70, 3.62 A)
 &rst
  ixpk= 3607, nxpk= 20, iat= 266,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 253, 254,
 &end
#
#  77 ASP          HN   77 ASP         HB+  5.50   (#   3610:20  Preassigned   2.45, 2.80 A)
 &rst
  ixpk= 3610, nxpk= 20, iat=1174,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1178,1179,
 &end
#
#   3 ASN          HN   77 ASP         HB+  5.50   (#   3611:20  Preassigned   2.56, 4.00 A)
 &rst
  ixpk= 3611, nxpk= 20, iat=  41,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1178,1179,
 &end
#
#   2 PHE          HD   77 ASP         HB+  5.50   (#   3612:20  Preassigned   2.46, 6.09 A)
 &rst
  ixpk= 3612, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  29,  37,
 igr2=1178,1179,
 &end
#
#  78 LEU          HN   77 ASP         HB+  7.00   (#   3613:20  Preassigned   3.07, 3.87 A)
 &rst
  ixpk= 3613, nxpk= 20, iat=1186,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1178,1179,
 &end
#
#   0 AMB   20-2:3614   21 ARG         HD-  7.00   (#   3614:20      Single   Ambig  )
 &rst
  ixpk= 3614, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1= 321, 322, 321, 322,
 igr2= 315, 316,
 &end
#
#  27 HIS          HN   26 TYR         HB-  7.00   (#   3615:20  Preassigned   2.82, 3.66 A)
 &rst
  ixpk= 3615, nxpk= 20, iat= 429,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 412, 413,
 &end
#
# 104 PHE          HD  104 PHE         HB+  5.50   (#   3616:20  Preassigned   2.32, 3.08 A)
 &rst
  ixpk= 3616, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1641,1649,
 igr2=1637,1638,
 &end
#
# 104 PHE          HN  104 PHE         HB+  5.50   (#   3617:20  Preassigned   2.07, 2.80 A)
 &rst
  ixpk= 3617, nxpk= 20, iat=1633,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1637,1638,
 &end
#
#  86 HIS         HD1    0 AMB   20-1:3618  7.00   (#   3618:20      Single   Ambig  )
 &rst
  ixpk= 3618, nxpk= 20, iat=1343,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr2=1321,1322,1396,1397,
 &end
#
#  89 ARG          HN   89 ARG         HD+  5.50   (#   3619:20  Preassigned   2.25, 4.00 A)
 &rst
  ixpk= 3619, nxpk= 20, iat=1386,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1396,1397,
 &end
#
#  18 THR          HN   17 PRO         HD-  6.00   (#   3623:20  Preassigned   2.70, 3.62 A)
 &rst
  ixpk= 3623, nxpk= 20, iat= 266,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 253, 254,
 &end
#
#  44 GLY          HN   43 LYS         HE+  7.00   (#   3625:20  Preassigned   3.23, 4.90 A)
 &rst
  ixpk= 3625, nxpk= 20, iat= 675,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 666, 667,
 &end
#
# 121 ARG          HE  121 ARG         HD+  7.00   (#   3626:20  Preassigned   2.27, 2.74 A)
 &rst
  ixpk= 3626, nxpk= 20, iat=1918,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1915,1916,
 &end
#
# 121 ARG        HH2+  121 ARG         HD+  7.00   (#   3627:20  Preassigned   1.92, 3.54 A)
 &rst
  ixpk= 3627, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1924,1925,
 igr2=1915,1916,
 &end
#
#  26 TYR          HD   25 ARG         HD-  5.50   (#   3628:20  Preassigned   3.66, 6.10 A)
 &rst
  ixpk= 3628, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 416, 425,
 igr2= 394, 395,
 &end
#
#  26 TYR          HE   25 ARG         HD-  5.50   (#   3629:20  Preassigned   3.06, 5.48 A)
 &rst
  ixpk= 3629, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 418, 423,
 igr2= 394, 395,
 &end
#
#  87 ILE          HN   86 HIS         HB+  6.00   (#   3630:20  Preassigned   2.59, 3.35 A)
 &rst
  ixpk= 3630, nxpk= 20, iat=1352,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1339,1340,
 &end
#
#  86 HIS          HN   86 HIS         HB+  5.50   (#   3631:20  Preassigned   2.32, 3.06 A)
 &rst
  ixpk= 3631, nxpk= 20, iat=1335,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1339,1340,
 &end
#
# 141 ALA          HN  138 TRP         HB+  5.50   (#   3632:20  Preassigned   4.97, 5.32 A)
 &rst
  ixpk= 3632, nxpk= 20, iat=2239,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2192,2193,
 &end
#
#   0 AMB   20-2:3634   76 TYR         HB-  7.00   (#   3634:20      Single   Ambig  )
 &rst
  ixpk= 3634, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1=  64,  65,1163,1168,
 igr2=1157,1158,
 &end
#
# 125 ALA          HN  124 PHE         HB-  6.00   (#   3635:20  Preassigned   2.74, 3.19 A)
 &rst
  ixpk= 3635, nxpk= 20, iat=1978,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1962,1963,
 &end
#
# 124 PHE          HN  124 PHE         HB-  7.00   (#   3636:20  Preassigned   2.07, 2.81 A)
 &rst
  ixpk= 3636, nxpk= 20, iat=1958,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1962,1963,
 &end
#
# 110 GLU          HN  109 ASN         HB-  6.00   (#   3637:20  Preassigned   4.05, 4.47 A)
 &rst
  ixpk= 3637, nxpk= 20, iat=1727,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1717,1718,
 &end
#
#   2 PHE          HN    2 PHE         HB+  5.50   (#   3638:20  Preassigned   2.50, 3.15 A)
 &rst
  ixpk= 3638, nxpk= 20, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  25,  26,
 &end
#
# 117 TYR          HD  117 TYR         HB-  4.00   (#   3641:20  Preassigned   2.27, 3.08 A)
 &rst
  ixpk= 3641, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1835,1844,
 igr2=1831,1832,
 &end
#
# 117 TYR          HN  117 TYR         HB-  5.50   (#   3642:20  Preassigned   2.21, 2.58 A)
 &rst
  ixpk= 3642, nxpk= 20, iat=1827,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1831,1832,
 &end
#
#   2 PHE          HD   77 ASP         HB-  5.50   (#   3644:20  Preassigned   2.46, 6.09 A)
 &rst
  ixpk= 3644, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  29,  37,
 igr2=1178,1179,
 &end
#
#  27 HIS          HN   26 TYR         HB+  5.50   (#   3645:20  Preassigned   2.82, 3.66 A)
 &rst
  ixpk= 3645, nxpk= 20, iat= 429,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 412, 413,
 &end
#
#  45 ALA          HN   63 HIS         HB-  6.00   (#   3647:20  Preassigned   2.27, 4.17 A)
 &rst
  ixpk= 3647, nxpk= 20, iat= 682,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 932, 933,
 &end
#
#   4 ASN        HD2-    0 AMB   20-1:3649  7.00   (#   3649:20      Single   Ambig  )
 &rst
  ixpk= 3649, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1=  64,  65,
 igr2=  45,  46,  45,  46,
 &end
#
# 137 GLN        HE2-  108 ASP         HB-  6.00   (#   3650:20  Preassigned   2.93, 6.60 A)
 &rst
  ixpk= 3650, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=2183,2184,
 igr2=1705,1706,
 &end
#
#   5 ILE          HN    4 ASN         HB+  6.00   (#   3651:20  Preassigned   2.53, 3.81 A)
 &rst
  ixpk= 3651, nxpk= 20, iat=  69,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=  59,  60,
 &end
#
#  94 ALA          HN   93 MET         HG-  7.00   (#   3653:20  Preassigned   2.67, 4.75 A)
 &rst
  ixpk= 3653, nxpk= 20, iat=1472,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1462,1463,
 &end
#
#  74 ARG          HN   73 CYS         HB+  7.00   (#   3655:20  Preassigned   2.55, 3.25 A)
 &rst
  ixpk= 3655, nxpk= 20, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1108,1109,
 &end
#
# 108 ASP          HN  107 TRP         HB-  7.00   (#   3656:20  Preassigned   2.70, 3.96 A)
 &rst
  ixpk= 3656, nxpk= 20, iat=1701,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1681,1682,
 &end
#
#  84 LYS          HN  112 GLU         HG+  6.00   (#   3657:20  Preassigned   2.10, 4.41 A)
 &rst
  ixpk= 3657, nxpk= 20, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1760,1761,
 &end
#
# 137 GLN        HE2-  137 GLN         HG+  5.50   (#   3659:20  Preassigned   2.15, 3.23 A)
 &rst
  ixpk= 3659, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2183,2184,
 igr2=2178,2179,
 &end
#
# 137 GLN        HE2+  137 GLN         HG+  5.50   (#   3660:20  Preassigned   2.15, 3.23 A)
 &rst
  ixpk= 3660, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2183,2184,
 igr2=2178,2179,
 &end
#
# 137 GLN          HN  137 GLN         HG+  4.00   (#   3661:20  Preassigned   2.45, 2.96 A)
 &rst
  ixpk= 3661, nxpk= 20, iat=2171,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=2178,2179,
 &end
#
# 138 TRP          HN  137 GLN         HG+  7.00   (#   3662:20  Preassigned   4.61, 4.80 A)
 &rst
  ixpk= 3662, nxpk= 20, iat=2188,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=2178,2179,
 &end
#
#  67 GLN        HE2-   67 GLN         HG+  7.00   (#   3663:20  Preassigned   2.22, 3.25 A)
 &rst
  ixpk= 3663, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1002,1003,
 igr2= 997, 998,
 &end
#
#  67 GLN        HE2+   67 GLN         HG+  5.50   (#   3664:20  Preassigned   2.22, 3.25 A)
 &rst
  ixpk= 3664, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1002,1003,
 igr2= 997, 998,
 &end
#
#  67 GLN          HN   67 GLN         HG+  5.50   (#   3665:20  Preassigned   2.75, 4.36 A)
 &rst
  ixpk= 3665, nxpk= 20, iat= 990,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 997, 998,
 &end
#
#  74 ARG          HN   75 ASN         HB-  6.00   (#   3666:20  Preassigned   4.75, 4.97 A)
 &rst
  ixpk= 3666, nxpk= 20, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1143,1144,
 &end
#
#  48 THR          HN   47 PRO         HB+  5.50   (#   3667:20  Preassigned   2.89, 3.74 A)
 &rst
  ixpk= 3667, nxpk= 20, iat= 718,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 711, 712,
 &end
#
#  26 TYR          HE  132 GLU         HG+  5.50   (#   3668:20  Preassigned   2.33, 5.08 A)
 &rst
  ixpk= 3668, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 418, 423,
 igr2=2094,2095,
 &end
#
# 132 GLU          HN  132 GLU         HG+  5.50   (#   3669:20  Preassigned   4.35, 4.51 A)
 &rst
  ixpk= 3669, nxpk= 20, iat=2087,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2094,2095,
 &end
#
# 123 THR          HN  122 GLU         HG+  6.00   (#   3670:20  Preassigned   2.40, 4.21 A)
 &rst
  ixpk= 3670, nxpk= 20, iat=1944,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1936,1937,
 &end
#
#  88 GLU          HN   88 GLU         HG+  4.00   (#   3671:20  Preassigned   2.25, 3.64 A)
 &rst
  ixpk= 3671, nxpk= 20, iat=1371,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1378,1379,
 &end
#
#  55 GLU          HN   55 GLU         HG+  5.50   (#   3672:20  Preassigned   2.53, 4.10 A)
 &rst
  ixpk= 3672, nxpk= 20, iat= 808,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 815, 816,
 &end
#
#  92 GLU          HN   92 GLU         HG+  5.50   (#   3673:20  Preassigned   2.43, 4.16 A)
 &rst
  ixpk= 3673, nxpk= 20, iat=1440,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1447,1448,
 &end
#
#  93 MET          HN   92 GLU         HG+  7.00   (#   3674:20  Preassigned   3.68, 4.49 A)
 &rst
  ixpk= 3674, nxpk= 20, iat=1455,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1447,1448,
 &end
#
#  60 LEU          HN    0 AMB   20-1:3675  7.00   (#   3675:20      Single   Ambig  )
 &rst
  ixpk= 3675, nxpk= 20, iat= 887,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr2= 913, 914, 913, 914,
 &end
#
# 122 GLU          HN  122 GLU         HG-  5.50   (#   3676:20  Preassigned   2.11, 3.79 A)
 &rst
  ixpk= 3676, nxpk= 20, iat=1929,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1936,1937,
 &end
#
# 123 THR          HN  122 GLU         HG-  5.50   (#   3677:20  Preassigned   2.40, 4.21 A)
 &rst
  ixpk= 3677, nxpk= 20, iat=1944,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1936,1937,
 &end
#
#  26 TYR          HE  132 GLU         HG-  5.50   (#   3678:20  Preassigned   2.33, 5.08 A)
 &rst
  ixpk= 3678, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 418, 423,
 igr2=2094,2095,
 &end
#
# 138 TRP          HN  137 GLN         HB-  6.00   (#   3680:20  Preassigned   2.58, 3.18 A)
 &rst
  ixpk= 3680, nxpk= 20, iat=2188,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=2175,2176,
 &end
#
#   0 AMB   20-2:3682    0 AMB   20-1:3682  5.50   (#   3682:20      Double   Ambig  )
 &rst
  ixpk= 3682, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1163,1168, 852, 853,
 igr2= 536, 537, 847, 848,
 &end
#
# 140 GLN        HE2-  140 GLN         HG-  5.50   (#   3683:20  Preassigned   2.24, 3.28 A)
 &rst
  ixpk= 3683, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2234,2235,
 igr2=2229,2230,
 &end
#
# 140 GLN        HE2-  140 GLN         HG+  5.50   (#   3684:20  Preassigned   2.24, 3.28 A)
 &rst
  ixpk= 3684, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2234,2235,
 igr2=2229,2230,
 &end
#
# 140 GLN        HE2+  140 GLN         HG-  5.50   (#   3685:20  Preassigned   2.24, 3.28 A)
 &rst
  ixpk= 3685, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2234,2235,
 igr2=2229,2230,
 &end
#
# 102 MET          HN  102 MET         HG-  5.50   (#   3687:20  Preassigned   2.36, 3.63 A)
 &rst
  ixpk= 3687, nxpk= 20, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1604,1605,
 &end
#
# 103 LEU          HN  102 MET         HG-  6.00   (#   3688:20  Preassigned   3.67, 4.42 A)
 &rst
  ixpk= 3688, nxpk= 20, iat=1614,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1604,1605,
 &end
#
#   5 ILE          HN   31 LYS         HB-  6.00   (#   3689:20  Preassigned   2.86, 4.46 A)
 &rst
  ixpk= 3689, nxpk= 20, iat=  69,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 498, 499,
 &end
#
# 100 LYS          HN  100 LYS         HB+  5.50   (#   3690:20  Preassigned   2.30, 3.12 A)
 &rst
  ixpk= 3690, nxpk= 20, iat=1559,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1563,1564,
 &end
#
# 122 GLU          HN  122 GLU         HB-  5.50   (#   3693:20  Preassigned   2.18, 2.79 A)
 &rst
  ixpk= 3693, nxpk= 20, iat=1929,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1933,1934,
 &end
#
#  88 GLU          HN    0 AMB   20-1:3695  4.00   (#   3695:20      Single   Ambig  )
 &rst
  ixpk= 3695, nxpk= 20, iat=1371,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr2=1375,1376,1375,1376,
 &end
#
#  25 ARG          HN   24 GLN         HB+  6.00   (#   3696:20  Preassigned   2.59, 3.27 A)
 &rst
  ixpk= 3696, nxpk= 20, iat= 384,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 371, 372,
 &end
#
#  89 ARG          HN    0 AMB   20-1:3697  5.50   (#   3697:20      Single   Ambig  )
 &rst
  ixpk= 3697, nxpk= 20, iat=1386,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1375,1376,1375,1376,
 &end
#
#  92 GLU          HN   92 GLU         HB-  4.00   (#   3698:20  Preassigned   2.32, 2.61 A)
 &rst
  ixpk= 3698, nxpk= 20, iat=1440,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1444,1445,
 &end
#
#  48 THR          HN   47 PRO         HG+  6.00   (#   3699:20  Preassigned   2.64, 4.54 A)
 &rst
  ixpk= 3699, nxpk= 20, iat= 718,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 708, 709,
 &end
#
#  24 GLN          HN   24 GLN         HB-  5.50   (#   3701:20  Preassigned   2.08, 2.62 A)
 &rst
  ixpk= 3701, nxpk= 20, iat= 367,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 371, 372,
 &end
#
# 122 GLU          HN  122 GLU         HB+  5.50   (#   3702:20  Preassigned   2.18, 2.79 A)
 &rst
  ixpk= 3702, nxpk= 20, iat=1929,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1933,1934,
 &end
#
#  94 ALA          HN   93 MET         HB-  4.00   (#   3704:20  Preassigned   2.73, 3.37 A)
 &rst
  ixpk= 3704, nxpk= 20, iat=1472,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1459,1460,
 &end
#
#  43 LYS          HN   43 LYS         HB+  5.50   (#   3705:20  Preassigned   2.22, 2.55 A)
 &rst
  ixpk= 3705, nxpk= 20, iat= 653,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 657, 658,
 &end
#
#  44 GLY          HN   43 LYS         HB+  4.00   (#   3706:20  Preassigned   2.51, 3.77 A)
 &rst
  ixpk= 3706, nxpk= 20, iat= 675,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 657, 658,
 &end
#
#  84 LYS          HN   83 GLU         HB+  5.50   (#   3707:20  Preassigned   2.61, 3.47 A)
 &rst
  ixpk= 3707, nxpk= 20, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1278,1279,
 &end
#
# 115 ASP          HN  114 PRO         HB+  5.50   (#   3708:20  Preassigned   2.44, 2.99 A)
 &rst
  ixpk= 3708, nxpk= 20, iat=1801,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1794,1795,
 &end
#
# 102 MET          HN  102 MET         HG+  5.50   (#   3709:20  Preassigned   2.36, 3.63 A)
 &rst
  ixpk= 3709, nxpk= 20, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1604,1605,
 &end
#
# 103 LEU          HN  102 MET         HG+  5.50   (#   3710:20  Preassigned   3.67, 4.42 A)
 &rst
  ixpk= 3710, nxpk= 20, iat=1614,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1604,1605,
 &end
#
#  52 VAL          HN   52 VAL          HB  5.50   (#   3712:20  Preassigned   2.32, 3.03 A)
 &rst
  ixpk= 3712, nxpk= 20, iat= 772, 776, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  96 GLU          HN   95 PRO         HB+  5.50   (#   3713:20  Preassigned   2.53, 4.01 A)
 &rst
  ixpk= 3713, nxpk= 20, iat=1496,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1489,1490,
 &end
#
#  41 VAL          HN   41 VAL          HB  2.80   (#   3714:20  Preassigned   2.35, 2.65 A)
 &rst
  ixpk= 3714, nxpk= 20, iat= 630, 634, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  42 GLY          HN   41 VAL          HB  5.50   (#   3715:20  Preassigned   4.10, 4.26 A)
 &rst
  ixpk= 3715, nxpk= 20, iat= 646, 634, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  84 LYS          HN   84 LYS         HB+  5.50   (#   3716:20  Preassigned   2.39, 2.90 A)
 &rst
  ixpk= 3716, nxpk= 20, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1293,1294,
 &end
#
# 112 GLU          HN  112 GLU         HB-  5.50   (#   3717:20  Preassigned   2.16, 3.12 A)
 &rst
  ixpk= 3717, nxpk= 20, iat=1753,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1757,1758,
 &end
#
#  48 THR          HN   47 PRO         HB-  5.50   (#   3718:20  Preassigned   2.89, 3.74 A)
 &rst
  ixpk= 3718, nxpk= 20, iat= 718,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 711, 712,
 &end
#
# 131 LEU          HN  130 LEU         HB+  6.00   (#   3720:20  Preassigned   2.23, 3.27 A)
 &rst
  ixpk= 3720, nxpk= 20, iat=2068,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=2053,2054,
 &end
#
# 101 VAL          HN   97 MET          ME  6.00   (#   3721:20  Preassigned   4.29, 5.96 A)
 &rst
  ixpk= 3721, nxpk= 20, iat=1581,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1522,1523,1524,
 &end
#
#  97 MET          HN   97 MET         HB-  7.00   (#   3722:20  Preassigned   2.38, 3.07 A)
 &rst
  ixpk= 3722, nxpk= 20, iat=1511,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1515,1516,
 &end
#
#  20 GLU          HN   20 GLU         HB+  7.00   (#   3723:20  Preassigned   2.13, 2.94 A)
 &rst
  ixpk= 3723, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 294, 295,
 &end
#
#   0 AMB   20-2:3724    0 AMB   20-1:3724  4.00   (#   3724:20      Double   Ambig  )
 &rst
  ixpk= 3724, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
 igr1=2307,2292,
 igr2=2296,2297,2296,2297,
 &end
#
#  67 GLN          HN   67 GLN         HB+  5.50   (#   3725:20  Preassigned   2.23, 2.58 A)
 &rst
  ixpk= 3725, nxpk= 20, iat= 990,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 994, 995,
 &end
#
#  61 GLU          HN   61 GLU         HB+  4.00   (#   3728:20  Preassigned   2.20, 2.92 A)
 &rst
  ixpk= 3728, nxpk= 20, iat= 906,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 910, 911,
 &end
#
# 132 GLU          HN  132 GLU         HB+  6.00   (#   3730:20  Preassigned   2.33, 2.54 A)
 &rst
  ixpk= 3730, nxpk= 20, iat=2087,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=2091,2092,
 &end
#
#   0 AMB   20-2:3732   32 VAL          HB  5.50   (#   3732:20      Single   Ambig  )
 &rst
  ixpk= 3732, nxpk= 20, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 379, 380, 379, 380,
 &end
#
# 110 GLU          HN    0 AMB   20-1:3736  5.50   (#   3736:20      Single   Ambig  )
 &rst
  ixpk= 3736, nxpk= 20, iat=1727,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1731,1732,1731,1732,
 &end
#
# 112 GLU          HN  112 GLU         HG-  5.50   (#   3739:20  Preassigned   2.01, 3.13 A)
 &rst
  ixpk= 3739, nxpk= 20, iat=1753,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1760,1761,
 &end
#
#  84 LYS          HN  112 GLU         HG-  6.00   (#   3740:20  Preassigned   2.10, 4.41 A)
 &rst
  ixpk= 3740, nxpk= 20, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1760,1761,
 &end
#
#   0 AMB   20-2:3741    0 AMB   20-1:3741  4.00   (#   3741:20      Double   Ambig  )
 &rst
  ixpk= 3741, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
 igr1=1311,1929,
 igr2=1315,1316,1909,1910,
 &end
#
#  67 GLN          HN   67 GLN         HB-  5.50   (#   3742:20  Preassigned   2.23, 2.58 A)
 &rst
  ixpk= 3742, nxpk= 20, iat= 990,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 994, 995,
 &end
#
#  85 ARG          HN   85 ARG         HB+  5.50   (#   3743:20  Preassigned   2.40, 3.10 A)
 &rst
  ixpk= 3743, nxpk= 20, iat=1311,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1315,1316,
 &end
#
#  84 LYS          HN   87 ILE        HG1+  6.00   (#   3744:20  Preassigned   4.40, 5.06 A)
 &rst
  ixpk= 3744, nxpk= 20, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1362,1363,
 &end
#
#  90 LEU          HN   90 LEU          HG  5.50   (#   3745:20  Preassigned   2.50, 3.86 A)
 &rst
  ixpk= 3745, nxpk= 20, iat=1410,1417, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  21 ARG          HN   21 ARG         HB+  5.50   (#   3746:20  Preassigned   2.17, 2.98 A)
 &rst
  ixpk= 3746, nxpk= 20, iat= 305,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 309, 310,
 &end
#
#  99 GLY          HN   98 ARG         HG-  6.00   (#   3748:20  Preassigned   2.15, 3.67 A)
 &rst
  ixpk= 3748, nxpk= 20, iat=1552,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1535,1536,
 &end
#
#   4 ASN          HA    5 ILE          HB  6.00   (#   3750:20  Preassigned   3.96, 4.42 A)
 &rst
  ixpk= 3750, nxpk= 20, iat=  57,  73, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 103 LEU          HN  103 LEU          HG  7.00   (#   3751:20  Preassigned   2.48, 4.27 A)
 &rst
  ixpk= 3751, nxpk= 20, iat=1614,1621, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  76 TYR          HD   72 LEU          HG  6.00   (#   3752:20  Preassigned   3.98, 6.79 A)
 &rst
  ixpk= 3752, nxpk= 20, iat=  -1,1092, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1161,1170,
 &end
#
#  75 ASN        HD2+   72 LEU          HG  7.00   (#   3753:20  Preassigned   4.57, 6.59 A)
 &rst
  ixpk= 3753, nxpk= 20, iat=  -1,1092, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1148,1149,
 &end
#
#  86 HIS          HN   85 ARG         HB-  6.00   (#   3754:20  Preassigned   2.77, 3.70 A)
 &rst
  ixpk= 3754, nxpk= 20, iat=1335,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1315,1316,
 &end
#
#  24 GLN          HN   23 LEU         HB+  6.00   (#   3755:20  Preassigned   2.53, 3.11 A)
 &rst
  ixpk= 3755, nxpk= 20, iat= 367,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 352, 353,
 &end
#
#  66 ARG          HN   66 ARG         HB+  7.00   (#   3757:20  Preassigned   2.98, 3.69 A)
 &rst
  ixpk= 3757, nxpk= 20, iat= 966,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 970, 971,
 &end
#
# 115 ASP          HN  114 PRO         HB-  4.00   (#   3758:20  Preassigned   2.44, 2.99 A)
 &rst
  ixpk= 3758, nxpk= 20, iat=1801,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1794,1795,
 &end
#
#  66 ARG          HE   66 ARG         HB-  7.00   (#   3759:20  Preassigned   2.47, 4.07 A)
 &rst
  ixpk= 3759, nxpk= 20, iat= 979,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 970, 971,
 &end
#
# 106 HIS          HN  103 LEU         HB-  6.00   (#   3760:20  Preassigned   2.67, 4.15 A)
 &rst
  ixpk= 3760, nxpk= 20, iat=1660,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1618,1619,
 &end
#
# 102 MET          HN   79 ILE          HB  6.00   (#   3761:20  Preassigned   3.66, 3.98 A)
 &rst
  ixpk= 3761, nxpk= 20, iat=1597,1209, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 133 ARG          HN  132 GLU         HB-  5.50   (#   3762:20  Preassigned   2.65, 3.40 A)
 &rst
  ixpk= 3762, nxpk= 20, iat=2102,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2091,2092,
 &end
#
# 132 GLU          HN  132 GLU         HB-  5.50   (#   3763:20  Preassigned   2.33, 2.54 A)
 &rst
  ixpk= 3763, nxpk= 20, iat=2087,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2091,2092,
 &end
#
# 119 LYS          HN  119 LYS         HD+  7.00   (#   3764:20  Preassigned   2.69, 4.55 A)
 &rst
  ixpk= 3764, nxpk= 20, iat=1872,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1882,1883,
 &end
#
# 138 TRP          HN  135 ALA          MB  6.00   (#   3766:20  Preassigned   5.20, 5.50 A)
 &rst
  ixpk= 3766, nxpk= 20, iat=2188,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=2141,2142,2143,
 &end
#
#  51 SER          HN   49 ALA          MB  6.00   (#   3767:20  Preassigned   4.99, 5.57 A)
 &rst
  ixpk= 3767, nxpk= 20, iat= 761,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 736, 737, 738,
 &end
#
# 120 SER          HN  119 LYS         HD-  5.50   (#   3769:20  Preassigned   3.85, 5.13 A)
 &rst
  ixpk= 3769, nxpk= 20, iat=1894,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1882,1883,
 &end
#
#   0 AMB   20-2:3770    0 AMB   20-1:3770  5.50   (#   3770:20      Double   Ambig  )
 &rst
  ixpk= 3770, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=2102,2115,
 igr2=2109,2110,2109,2110,
 &end
#
#  99 GLY          HN   98 ARG         HG+  6.00   (#   3771:20  Preassigned   2.15, 3.67 A)
 &rst
  ixpk= 3771, nxpk= 20, iat=1552,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1535,1536,
 &end
#
#  66 ARG          HE   66 ARG         HG+  5.50   (#   3772:20  Preassigned   2.25, 2.95 A)
 &rst
  ixpk= 3772, nxpk= 20, iat= 979,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 973, 974,
 &end
#
#  66 ARG          HN   66 ARG         HG+  5.50   (#   3773:20  Preassigned   2.29, 3.55 A)
 &rst
  ixpk= 3773, nxpk= 20, iat= 966,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 973, 974,
 &end
#
# 104 PHE          HD   80 LEU         HB+  6.00   (#   3775:20  Preassigned   2.48, 4.51 A)
 &rst
  ixpk= 3775, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1641,1649,
 igr2=1228,1229,
 &end
#
# 141 ALA          HN  139 ALA          MB  6.00   (#   3776:20  Preassigned   5.18, 5.68 A)
 &rst
  ixpk= 3776, nxpk= 20, iat=2239,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=2216,2217,2218,
 &end
#
# 142 LEU          HN  139 ALA          MB  6.00   (#   3777:20  Preassigned   5.00, 5.49 A)
 &rst
  ixpk= 3777, nxpk= 20, iat=2249,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=2216,2217,2218,
 &end
#
#  85 ARG          HN   85 ARG         HG-  7.00   (#   3779:20  Preassigned   2.11, 2.83 A)
 &rst
  ixpk= 3779, nxpk= 20, iat=1311,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1318,1319,
 &end
#
#   0 AMB   20-2:3780  133 ARG         HG-  7.00   (#   3780:20      Single   Ambig  )
 &rst
  ixpk= 3780, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=2102,2115,
 igr2=2109,2110,
 &end
#
#  85 ARG          HN   85 ARG         HG-  7.00   (#   3781:20  Preassigned   2.11, 2.83 A)
 &rst
  ixpk= 3781, nxpk= 20, iat=1311,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1318,1319,
 &end
#
#  43 LYS          HN   43 LYS         HG-  4.00   (#   3782:20  Preassigned   2.50, 4.26 A)
 &rst
  ixpk= 3782, nxpk= 20, iat= 653,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 660, 661,
 &end
#
# 100 LYS          HN  100 LYS         HD-  5.50   (#   3783:20  Preassigned   2.71, 4.46 A)
 &rst
  ixpk= 3783, nxpk= 20, iat=1559,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1569,1570,
 &end
#
#  60 LEU          HN   60 LEU         HB-  7.00   (#   3784:20  Preassigned   2.18, 2.92 A)
 &rst
  ixpk= 3784, nxpk= 20, iat= 887,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 891, 892,
 &end
#
#  60 LEU          HN   60 LEU          HG  5.50   (#   3787:20  Preassigned   2.07, 3.20 A)
 &rst
  ixpk= 3787, nxpk= 20, iat= 887, 894, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  86 HIS         HD1   85 ARG         HG+  6.00   (#   3790:20  Preassigned   2.16, 4.67 A)
 &rst
  ixpk= 3790, nxpk= 20, iat=1343,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1318,1319,
 &end
#
#  86 HIS         HD2   85 ARG         HG+  6.00   (#   3793:20      Unique   3.36, 7.45 A)
 &rst
  ixpk= 3793, nxpk= 20, iat=1348,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1318,1319,
 &end
#
# 102 MET          HN  102 MET         HB-  7.00   (#   3794:20  Preassigned   2.61, 3.37 A)
 &rst
  ixpk= 3794, nxpk= 20, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1601,1602,
 &end
#
# 103 LEU          HN  102 MET         HB-  7.00   (#   3795:20  Preassigned   2.04, 3.11 A)
 &rst
  ixpk= 3795, nxpk= 20, iat=1614,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1601,1602,
 &end
#
#  40 LEU          HN   40 LEU         HB+  5.50   (#   3796:20  Preassigned   2.33, 3.05 A)
 &rst
  ixpk= 3796, nxpk= 20, iat= 611,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 615, 616,
 &end
#
# 106 HIS         HD2  102 MET         HB-  7.00   (#   3797:20  Preassigned   2.17, 5.38 A)
 &rst
  ixpk= 3797, nxpk= 20, iat=1673,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1601,1602,
 &end
#
#  41 VAL          HN   40 LEU         HB-  5.50   (#   3798:20  Preassigned   4.29, 4.42 A)
 &rst
  ixpk= 3798, nxpk= 20, iat= 630,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 615, 616,
 &end
#
#  41 VAL          HN   40 LEU         HB+  6.00   (#   3799:20  Preassigned   4.29, 4.42 A)
 &rst
  ixpk= 3799, nxpk= 20, iat= 630,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 615, 616,
 &end
#
#  37 LEU          HN   37 LEU         HB-  7.00   (#   3800:20  Preassigned   2.14, 2.58 A)
 &rst
  ixpk= 3800, nxpk= 20, iat= 575,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 579, 580,
 &end
#
#   4 ASN          HA   31 LYS         HG+  6.00   (#   3801:20  Preassigned   2.20, 3.15 A)
 &rst
  ixpk= 3801, nxpk= 20, iat=  57,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 501, 502,
 &end
#
#  58 LEU          HN   58 LEU          HG  7.00   (#   3802:20  Preassigned   2.91, 4.54 A)
 &rst
  ixpk= 3802, nxpk= 20, iat= 857, 864, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
# 113 ILE          HN  113 ILE        HG1-  7.00   (#   3803:20  Preassigned   2.26, 2.93 A)
 &rst
  ixpk= 3803, nxpk= 20, iat=1768,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1778,1779,
 &end
#
#  60 LEU          HN   60 LEU         HB+  7.00   (#   3804:20  Preassigned   2.18, 2.92 A)
 &rst
  ixpk= 3804, nxpk= 20, iat= 887,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 891, 892,
 &end
#
# 121 ARG          HE  121 ARG         HG+  7.00   (#   3806:20      Unique   2.25, 3.03 A)
 &rst
  ixpk= 3806, nxpk= 20, iat=1918,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1912,1913,
 &end
#
#   4 ASN          HA    5 ILE        HG1+  5.50   (#   3807:20  Preassigned   2.99, 4.69 A)
 &rst
  ixpk= 3807, nxpk= 20, iat=  57,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  79,  80,
 &end
#
# 104 PHE          HN   82 MET          ME  7.00   (#   3808:20  Preassigned   4.66, 6.02 A)
 &rst
  ixpk= 3808, nxpk= 20, iat=1633,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2=1268,1269,1270,
 &end
#
#  16 SER          HN   82 MET          ME  6.00   (#   3809:20  Preassigned   3.68, 5.28 A)
 &rst
  ixpk= 3809, nxpk= 20, iat= 241,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1268,1269,1270,
 &end
#
#  63 HIS          HN   45 ALA          MB  6.00   (#   3810:20  Preassigned   3.86, 5.41 A)
 &rst
  ixpk= 3810, nxpk= 20, iat= 928,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 686, 687, 688,
 &end
#
#  93 MET          HN   94 ALA          MB  5.50   (#   3812:20  Preassigned   5.02, 5.74 A)
 &rst
  ixpk= 3812, nxpk= 20, iat=1455,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1476,1477,1478,
 &end
#
#   2 PHE          HD   78 LEU         HB+  6.00   (#   3814:20  Preassigned   2.44, 4.48 A)
 &rst
  ixpk= 3814, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=  29,  37,
 igr2=1190,1191,
 &end
#
#  68 ILE          HN   68 ILE        HG1-  7.00   (#   3815:20  Preassigned   4.32, 4.53 A)
 &rst
  ixpk= 3815, nxpk= 20, iat=1007,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1017,1018,
 &end
#
# 120 SER          HN  119 LYS         HG-  7.00   (#   3816:20  Preassigned   2.55, 4.29 A)
 &rst
  ixpk= 3816, nxpk= 20, iat=1894,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1879,1880,
 &end
#
#  25 ARG          HN   25 ARG         HG+  7.00   (#   3817:20  Preassigned   2.48, 4.21 A)
 &rst
  ixpk= 3817, nxpk= 20, iat= 384,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 391, 392,
 &end
#
#  58 LEU          HN   58 LEU         MDX  5.50   (#   3818:20  Preassigned   3.74, 5.32 A)
 &rst
  ixpk= 3818, nxpk= 20, iat= 857,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#  80 LEU          HA   80 LEU          HG  7.00   (#   3819:20  Preassigned   2.63, 3.37 A)
 &rst
  ixpk= 3819, nxpk= 20, iat=1226,1231, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  78 LEU          HN   78 LEU         HB-  7.00   (#   3820:20  Preassigned   2.73, 3.11 A)
 &rst
  ixpk= 3820, nxpk= 20, iat=1186,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1190,1191,
 &end
#
#   0 AMB   20-2:3822    6 LEU         HB-  7.00   (#   3822:20      Single   Ambig  )
 &rst
  ixpk= 3822, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 107,1224,
 igr2=  92,  93,
 &end
#
#   6 LEU          HN    6 LEU         HB-  7.00   (#   3823:20  Preassigned   2.51, 2.85 A)
 &rst
  ixpk= 3823, nxpk= 20, iat=  88,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=  92,  93,
 &end
#
# 127 VAL          HN  123 THR         MG2  6.00   (#   3825:20  Preassigned   4.23, 5.29 A)
 &rst
  ixpk= 3825, nxpk= 20, iat=1998,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1950,1951,1952,
 &end
#
#   5 ILE          HN    5 ILE        HG1-  5.50   (#   3826:20  Preassigned   2.25, 3.45 A)
 &rst
  ixpk= 3826, nxpk= 20, iat=  69,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  79,  80,
 &end
#
#  26 TYR          HE  136 ARG         HG+  6.00   (#   3827:20  Preassigned   2.71, 5.00 A)
 &rst
  ixpk= 3827, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 418, 423,
 igr2=2154,2155,
 &end
#
#   0 AMB   20-2:3828   35 ALA          MB  7.00   (#   3828:20      Single   Ambig  )
 &rst
  ixpk= 3828, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 107, 123,
 igr2= 562, 563, 564,
 &end
#
# 142 LEU          HN   23 LEU         MDY  6.00   (#   3829:20      Unique   5.48, 7.91 A)
 &rst
  ixpk= 3829, nxpk= 20, iat=2249,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
#  27 HIS          HN   23 LEU         MDY  6.00   (#   3830:20  Preassigned   5.20, 7.32 A)
 &rst
  ixpk= 3830, nxpk= 20, iat= 429,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
# 124 PHE          HN  123 THR         MG2  5.50   (#   3831:20  Preassigned   3.92, 4.76 A)
 &rst
  ixpk= 3831, nxpk= 20, iat=1958,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1950,1951,1952,
 &end
#
#   5 ILE          HN   32 VAL         MGX  6.00   (#   3832:20  Preassigned   3.69, 5.40 A)
 &rst
  ixpk= 3832, nxpk= 20, iat=  69,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
# 132 GLU          HN   22 LEU         MDX  5.50   (#   3833:20  Preassigned   3.10, 5.49 A)
 &rst
  ixpk= 3833, nxpk= 20, iat=2087,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
# 128 TYR          HD   52 VAL         MGY  7.00   (#   3836:20  Preassigned   2.32, 5.94 A)
 &rst
  ixpk= 3836, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=2022,2031,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#   0 AMB   20-2:3839    0 AMB   20-1:3839  7.00   (#   3839:20      Double   Ambig  )
 &rst
  ixpk= 3839, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=13.34, r4=14.09,
 igr1=1643,1647,1968,1972,
 igr2= 357, 358, 359, 361, 362, 363,2004,2005,2006,2008,
      2009,2010,
 &end
#
#   0 AMB   20-2:3840  127 VAL         MGY  7.00   (#   3840:20      Single   Ambig  )
 &rst
  ixpk= 3840, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=2049,1827,
 igr2=2004,2005,2006,2008,2009,2010,
 &end
#
# 131 LEU          HN  113 ILE         QG2  6.00   (#   3841:20  Preassigned   3.94, 4.71 A)
 &rst
  ixpk= 3841, nxpk= 20, iat=2068,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1774,1775,1776,
 &end
#
#  79 ILE          HN   78 LEU          HG  5.50   (#   3842:20  Preassigned   2.37, 3.53 A)
 &rst
  ixpk= 3842, nxpk= 20, iat=1205,1193, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   20-2:3843   79 ILE        HG1-  7.00   (#   3843:20      Single   Ambig  )
 &rst
  ixpk= 3843, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1224, 107,
 igr2=1215,1216,
 &end
#
#  94 ALA          HN   90 LEU         MDY  6.00   (#   3845:20  Preassigned   3.56, 6.49 A)
 &rst
  ixpk= 3845, nxpk= 20, iat=1472,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1419,1420,1421,1423,1424,1425,
 &end
#
#   0 AMB   20-2:3849   52 VAL         MGX  5.50   (#   3849:20      Single   Ambig  )
 &rst
  ixpk= 3849, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2014, 798,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
# 101 VAL          HN   87 ILE         QG2  6.00   (#   3850:20  Preassigned   5.28, 7.07 A)
 &rst
  ixpk= 3850, nxpk= 20, iat=1581,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1358,1359,1360,
 &end
#
# 132 GLU          HN  131 LEU         MDX  7.00   (#   3852:20  Preassigned   3.41, 5.22 A)
 &rst
  ixpk= 3852, nxpk= 20, iat=2087,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2=2077,2078,2079,2081,2082,2083,
 &end
#
# 128 TYR          HN  131 LEU         MDX  6.00   (#   3853:20  Preassigned   4.06, 5.89 A)
 &rst
  ixpk= 3853, nxpk= 20, iat=2014,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=2077,2078,2079,2081,2082,2083,
 &end
#
# 104 PHE          HE  131 LEU         MDX  6.00   (#   3854:20  Preassigned   2.89, 6.80 A)
 &rst
  ixpk= 3854, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1643,1647,
 igr2=2077,2078,2079,2081,2082,2083,
 &end
#
#  81 THR          HN  101 VAL         MGX  5.50   (#   3855:20  Preassigned   4.63, 6.84 A)
 &rst
  ixpk= 3855, nxpk= 20, iat=1243,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#  79 ILE          HN  101 VAL         MGX  6.00   (#   3856:20  Preassigned   4.12, 5.77 A)
 &rst
  ixpk= 3856, nxpk= 20, iat=1205,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#  76 TYR          HN   79 ILE         QD1  6.00   (#   3858:20  Preassigned   3.61, 4.85 A)
 &rst
  ixpk= 3858, nxpk= 20, iat=1153,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1218,1219,1220,
 &end
#
#  73 CYS          HN   79 ILE         QD1  6.00   (#   3859:20  Preassigned   5.42, 6.69 A)
 &rst
  ixpk= 3859, nxpk= 20, iat=1104,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1218,1219,1220,
 &end
#
#   6 LEU          HN   79 ILE         QD1  6.00   (#   3860:20  Preassigned   3.09, 4.80 A)
 &rst
  ixpk= 3860, nxpk= 20, iat=  88,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1218,1219,1220,
 &end
#
# 131 LEU          HN  131 LEU         HB+  5.50   (#   3861:20  Preassigned   2.27, 3.18 A)
 &rst
  ixpk= 3861, nxpk= 20, iat=2068,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2072,2073,
 &end
#
#  19 ALA          HN  131 LEU         MDY  6.00   (#   3863:20  Preassigned   2.91, 4.76 A)
 &rst
  ixpk= 3863, nxpk= 20, iat= 280,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=2077,2078,2079,2081,2082,2083,
 &end
#
#  67 GLN        HE2+   37 LEU         MDY  6.00   (#   3864:20  Preassigned   3.50, 7.12 A)
 &rst
  ixpk= 3864, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1002,1003,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#   0 AMB   20-2:3865   68 ILE         QD1  5.50   (#   3865:20      Single   Ambig  )
 &rst
  ixpk= 3865, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 123, 107,
 igr2=1020,1021,1022,
 &end
#
#  90 LEU          HN   87 ILE         QG2  6.00   (#   3866:20  Preassigned   6.19, 6.73 A)
 &rst
  ixpk= 3866, nxpk= 20, iat=1410,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1358,1359,1360,
 &end
#
# 102 MET          HN   87 ILE         QG2  6.00   (#   3867:20  Preassigned   5.28, 6.84 A)
 &rst
  ixpk= 3867, nxpk= 20, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1358,1359,1360,
 &end
#
#  37 LEU          HN   68 ILE         QG2  5.50   (#   3868:20  Preassigned   4.20, 5.22 A)
 &rst
  ixpk= 3868, nxpk= 20, iat= 575,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1013,1014,1015,
 &end
#
#  51 SER          HN   48 THR         MG2  6.00   (#   3869:20  Preassigned   5.08, 5.83 A)
 &rst
  ixpk= 3869, nxpk= 20, iat= 761,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 724, 725, 726,
 &end
#
#  19 ALA          HN   19 ALA          MB  4.00   (#   3870:20  Preassigned   2.25, 2.85 A)
 &rst
  ixpk= 3870, nxpk= 20, iat= 280,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 284, 285, 286,
 &end
#
#  20 GLU          HN    0 AMB   20-1:3871  4.00   (#   3871:20      Single   Ambig  )
 &rst
  ixpk= 3871, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr2= 113, 114, 115, 117, 118, 119, 284, 285, 286,
 &end
#
#  18 THR          HN   19 ALA          MB  5.50   (#   3872:20  Preassigned   4.67, 5.41 A)
 &rst
  ixpk= 3872, nxpk= 20, iat= 266,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 284, 285, 286,
 &end
#
#   6 LEU          HN   79 ILE         QG2  6.00   (#   3873:20  Preassigned   4.04, 5.57 A)
 &rst
  ixpk= 3873, nxpk= 20, iat=  88,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1211,1212,1213,
 &end
#
#  21 ARG          HE   60 LEU         MDX  6.00   (#   3874:20  Preassigned   2.82, 5.85 A)
 &rst
  ixpk= 3874, nxpk= 20, iat= 318,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#   8 VAL          HN    8 VAL         MGY  4.00   (#   3876:20  Preassigned   2.50, 4.16 A)
 &rst
  ixpk= 3876, nxpk= 20, iat= 123,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 129, 130, 131, 133, 134, 135,
 &end
#
#  35 ALA          HN    8 VAL         MGY  5.50   (#   3877:20  Preassigned   3.32, 5.24 A)
 &rst
  ixpk= 3877, nxpk= 20, iat= 558,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 129, 130, 131, 133, 134, 135,
 &end
#
#  81 THR          HA    8 VAL         MGY  5.50   (#   3879:20  Preassigned   3.79, 6.22 A)
 &rst
  ixpk= 3879, nxpk= 20, iat=1245,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 129, 130, 131, 133, 134, 135,
 &end
#
#  77 ASP          HN    5 ILE         QD1  6.00   (#   3881:20  Preassigned   4.88, 6.82 A)
 &rst
  ixpk= 3881, nxpk= 20, iat=1174,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=  82,  83,  84,
 &end
#
#   4 ASN          HA    5 ILE         QD1  6.00   (#   3882:20  Preassigned   3.45, 5.31 A)
 &rst
  ixpk= 3882, nxpk= 20, iat=  57,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=  82,  83,  84,
 &end
#
#  27 HIS         HD2    5 ILE         QD1  6.00   (#   3883:20  Preassigned   4.57, 6.36 A)
 &rst
  ixpk= 3883, nxpk= 20, iat= 442,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=  82,  83,  84,
 &end
#
#  87 ILE          HN   87 ILE        HG1-  7.00   (#   3884:20  Preassigned   2.01, 2.91 A)
 &rst
  ixpk= 3884, nxpk= 20, iat=1352,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1362,1363,
 &end
#
# 105 GLY          HN  103 LEU         MDX  5.50   (#   3885:20  Preassigned   1.94, 4.13 A)
 &rst
  ixpk= 3885, nxpk= 20, iat=1653,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#  46 ASP          HN   60 LEU         MDX  5.50   (#   3886:20  Preassigned   4.05, 6.11 A)
 &rst
  ixpk= 3886, nxpk= 20, iat= 692,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#   0 AMB   20-2:3887    0 AMB   20-1:3887  7.00   (#   3887:20      Double   Ambig  )
 &rst
  ixpk= 3887, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
 igr1=1226,1245,
 igr2=1195,1196,1197,1199,1200,1201,1623,1624,1625,1627,
      1628,1629,
 &end
#
#  38 GLY          HN   37 LEU         MDX  7.00   (#   3889:20  Preassigned   3.80, 5.45 A)
 &rst
  ixpk= 3889, nxpk= 20, iat= 594,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#  34 SER          HA    7 VAL         MGX  6.00   (#   3890:20  Preassigned   2.24, 5.10 A)
 &rst
  ixpk= 3890, nxpk= 20, iat= 549,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
#  23 LEU          HN   22 LEU         MDY  7.00   (#   3893:20  Preassigned   4.63, 5.69 A)
 &rst
  ixpk= 3893, nxpk= 20, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   6 LEU          HN    6 LEU         MDX  7.00   (#   3895:20  Preassigned   4.82, 5.50 A)
 &rst
  ixpk= 3895, nxpk= 20, iat=  88,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#  84 LYS          HN   83 GLU         HB-  7.00   (#   3896:20  Preassigned   2.61, 3.47 A)
 &rst
  ixpk= 3896, nxpk= 20, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1278,1279,
 &end
#
# 103 LEU          HN   80 LEU         MDY  6.00   (#   3900:20  Preassigned   3.90, 6.77 A)
 &rst
  ixpk= 3900, nxpk= 20, iat=1614,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
#   6 LEU          HN    6 LEU         HB+  7.00   (#   3901:20  Preassigned   2.51, 2.85 A)
 &rst
  ixpk= 3901, nxpk= 20, iat=  88,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=  92,  93,
 &end
#
#  87 ILE          HN   86 HIS         HB-  6.00   (#   3902:20  Preassigned   2.59, 3.35 A)
 &rst
  ixpk= 3902, nxpk= 20, iat=1352,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1339,1340,
 &end
#
# 128 TYR          HE   56 HIS         HB-  6.00   (#   3903:20  Preassigned   2.58, 4.28 A)
 &rst
  ixpk= 3903, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=2024,2029,
 igr2= 827, 828,
 &end
#
#   0 AMB   20-2:3904   56 HIS         HB-  7.00   (#   3904:20      Single   Ambig  )
 &rst
  ixpk= 3904, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 857, 840,
 igr2= 827, 828,
 &end
#
# 125 ALA          HN  124 PHE         HB+  5.50   (#   3906:20  Preassigned   2.74, 3.19 A)
 &rst
  ixpk= 3906, nxpk= 20, iat=1978,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1962,1963,
 &end
#
#  58 LEU          HN   56 HIS         HB+  6.00   (#   3909:20  Preassigned   3.35, 4.14 A)
 &rst
  ixpk= 3909, nxpk= 20, iat= 857,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 827, 828,
 &end
#
#  49 ALA          HN   46 ASP         HB+  6.00   (#   3910:20  Preassigned   2.38, 3.51 A)
 &rst
  ixpk= 3910, nxpk= 20, iat= 732,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 696, 697,
 &end
#
#  67 GLN        HE2-   38 GLY         HA+  6.00   (#   3911:20  Preassigned   2.40, 4.65 A)
 &rst
  ixpk= 3911, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1002,1003,
 igr2= 596, 597,
 &end
#
#  64 CYS          HN   63 HIS         HB+  6.00   (#   3912:20  Preassigned   3.61, 4.09 A)
 &rst
  ixpk= 3912, nxpk= 20, iat= 945,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 932, 933,
 &end
#
#  45 ALA          HN   63 HIS         HB+  5.50   (#   3913:20  Preassigned   2.27, 4.17 A)
 &rst
  ixpk= 3913, nxpk= 20, iat= 682,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 932, 933,
 &end
#
#  63 HIS          HN   63 HIS         HB+  5.50   (#   3914:20  Preassigned   2.34, 2.83 A)
 &rst
  ixpk= 3914, nxpk= 20, iat= 928,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 932, 933,
 &end
#
# 107 TRP         HD1  107 TRP         HB+  7.00   (#   3916:20  Preassigned   2.50, 3.11 A)
 &rst
  ixpk= 3916, nxpk= 20, iat=1685,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1681,1682,
 &end
#
#  36 GLY         HA-    8 VAL         MGY  5.50   (#   3917:20  Preassigned   2.34, 5.36 A)
 &rst
  ixpk= 3917, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 570, 571,
 igr2= 129, 130, 131, 133, 134, 135,
 &end
#
#   8 VAL          HA    8 VAL         MGY  5.50   (#   3918:20  Preassigned   2.36, 3.18 A)
 &rst
  ixpk= 3918, nxpk= 20, iat= 125,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 129, 130, 131, 133, 134, 135,
 &end
#
#  89 ARG          HA   37 LEU         MDY  5.50   (#   3919:20  Preassigned   4.48, 6.25 A)
 &rst
  ixpk= 3919, nxpk= 20, iat=1388,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#  28 PRO         HB-    0 AMB   20-1:3920  4.00   (#   3920:20      Single   Ambig  )
 &rst
  ixpk= 3920, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
 igr1= 453, 454,
 igr2= 450, 451, 450, 451,
 &end
#
#  28 PRO         HD-    0 AMB   20-1:3921  2.80   (#   3921:20      Single   Ambig  )
 &rst
  ixpk= 3921, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 447, 448,
 igr2= 450, 451, 450, 451,
 &end
#
#  95 PRO         HD+   95 PRO         HG+  4.00   (#   3922:20  Preassigned   2.32, 2.61 A)
 &rst
  ixpk= 3922, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1483,1484,
 igr2=1486,1487,
 &end
#
#  95 PRO          HA   95 PRO         HG+  4.00   (#   3923:20  Preassigned   2.81, 3.87 A)
 &rst
  ixpk= 3923, nxpk= 20, iat=1492,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1486,1487,
 &end
#
#  28 PRO          HA    0 AMB   20-1:3924  4.00   (#   3924:20      Single   Ambig  )
 &rst
  ixpk= 3924, nxpk= 20, iat= 456,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr2= 450, 451, 450, 451,
 &end
#
#  27 HIS          HA    0 AMB   20-1:3925  5.50   (#   3925:20      Single   Ambig  )
 &rst
  ixpk= 3925, nxpk= 20, iat= 431,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 450, 451, 450, 451,
 &end
#
#   0 AMB   20-2:3926    0 AMB   20-1:3926  2.80   (#   3926:20      Double   Ambig  )
 &rst
  ixpk= 3926, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 447, 448, 447, 448,
 igr2= 450, 451, 450, 451,
 &end
#
#  90 LEU          HA   90 LEU          HG  4.00   (#   3928:20  Preassigned   2.25, 2.61 A)
 &rst
  ixpk= 3928, nxpk= 20, iat=1412,1417, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   0 AMB   20-2:3929    5 ILE        HG1-  5.50   (#   3929:20      Single   Ambig  )
 &rst
  ixpk= 3929, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 484, 485, 486, 488, 489, 490,  82,  83,  84,
 igr2=  79,  80,
 &end
#
# 137 GLN          HA  140 GLN         HB+  4.00   (#   3932:20  Preassigned   2.20, 3.20 A)
 &rst
  ixpk= 3932, nxpk= 20, iat=2173,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=2226,2227,
 &end
#
#  85 ARG          HA   85 ARG         HB-  4.00   (#   3933:20  Preassigned   2.36, 2.64 A)
 &rst
  ixpk= 3933, nxpk= 20, iat=1313,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1315,1316,
 &end
#
#  85 ARG          HA   85 ARG         HB+  2.80   (#   3934:20  Preassigned   2.36, 2.64 A)
 &rst
  ixpk= 3934, nxpk= 20, iat=1313,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1315,1316,
 &end
#
#  29 GLU          HA   29 GLU         HB+  4.00   (#   3935:20  Preassigned   2.30, 2.60 A)
 &rst
  ixpk= 3935, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 464, 465,
 &end
#
# 146 GLN          HA  146 GLN         HB+  2.80   (#   3936:20  Preassigned   2.35, 2.72 A)
 &rst
  ixpk= 3936, nxpk= 20, iat=2309,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2311,2312,
 &end
#
# 145 GLU          HA  145 GLU         HB+  2.80   (#   3937:20  Preassigned   2.34, 2.70 A)
 &rst
  ixpk= 3937, nxpk= 20, iat=2294,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2296,2297,
 &end
#
#  29 GLU          HA   29 GLU         HB-  4.00   (#   3938:20  Preassigned   2.30, 2.60 A)
 &rst
  ixpk= 3938, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 464, 465,
 &end
#
#   0 AMB   20-2:3939    0 AMB   20-1:3939  4.00   (#   3939:20      Double   Ambig  )
 &rst
  ixpk= 3939, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
 igr1= 374, 375, 374, 375,
 igr2= 371, 372, 371, 372,
 &end
#
#   0 AMB   20-2:3940   24 GLN         HB-  5.50   (#   3940:20      Single   Ambig  )
 &rst
  ixpk= 3940, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 374, 375, 374, 375,
 igr2= 371, 372,
 &end
#
# 132 GLU         HG+  132 GLU         HB-  5.50   (#   3941:20  Preassigned   2.21, 2.72 A)
 &rst
  ixpk= 3941, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2094,2095,
 igr2=2091,2092,
 &end
#
# 132 GLU         HG-  132 GLU         HB-  5.50   (#   3942:20  Preassigned   2.21, 2.72 A)
 &rst
  ixpk= 3942, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2094,2095,
 igr2=2091,2092,
 &end
#
#   0 AMB   20-2:3949    0 AMB   20-1:3949  5.50   (#   3949:20      Double   Ambig  )
 &rst
  ixpk= 3949, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1483,1484,1538,1539,
 igr2=1489,1490,1489,1490,
 &end
#
#  95 PRO         HD-   95 PRO         HB+  5.50   (#   3950:20  Preassigned   2.82, 3.69 A)
 &rst
  ixpk= 3950, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1483,1484,
 igr2=1489,1490,
 &end
#
#  80 LEU         MDY  102 MET         HG-  5.50   (#   3951:20  Preassigned   2.46, 6.05 A)
 &rst
  ixpk= 3951, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1233,1234,1235,1237,1238,1239,
 igr2=1604,1605,
 &end
#
#  80 LEU         MDY  102 MET         HG+  5.50   (#   3952:20  Preassigned   2.46, 6.05 A)
 &rst
  ixpk= 3952, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1233,1234,1235,1237,1238,1239,
 igr2=1604,1605,
 &end
#
#  78 LEU         MDY  102 MET         HG+  5.50   (#   3953:20      Unique   2.52, 5.87 A)
 &rst
  ixpk= 3953, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1195,1196,1197,1199,1200,1201,
 igr2=1604,1605,
 &end
#
# 102 MET         HB-  102 MET         HG-  4.00   (#   3954:20  Preassigned   2.32, 2.73 A)
 &rst
  ixpk= 3954, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1601,1602,
 igr2=1604,1605,
 &end
#
#   0 AMB   20-2:3955    0 AMB   20-1:3955  5.50   (#   3955:20      Double   Ambig  )
 &rst
  ixpk= 3955, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
 igr1=1608,1609,1610,1817,1818,
 igr2=1604,1605,2002,
 &end
#
#  41 VAL          HA   41 VAL          HB  4.00   (#   3956:20  Preassigned   2.33, 2.79 A)
 &rst
  ixpk= 3956, nxpk= 20, iat= 632, 634, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
# 137 GLN          HA  137 GLN         HG+  4.00   (#   3957:20  Preassigned   2.52, 3.02 A)
 &rst
  ixpk= 3957, nxpk= 20, iat=2173,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=2178,2179,
 &end
#
# 140 GLN          HA  140 GLN         HG-  4.00   (#   3958:20  Preassigned   2.82, 3.63 A)
 &rst
  ixpk= 3958, nxpk= 20, iat=2224,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=2229,2230,
 &end
#
#  93 MET         HG-   93 MET         HB-  5.50   (#   3959:20  Preassigned   2.36, 2.75 A)
 &rst
  ixpk= 3959, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1462,1463,
 igr2=1459,1460,
 &end
#
#  93 MET          HA   93 MET         HB-  5.50   (#   3960:20  Preassigned   2.33, 2.76 A)
 &rst
  ixpk= 3960, nxpk= 20, iat=1457,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1459,1460,
 &end
#
#  85 ARG          HA   88 GLU         HG+  5.50   (#   3961:20  Preassigned   3.36, 4.62 A)
 &rst
  ixpk= 3961, nxpk= 20, iat=1313,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1378,1379,
 &end
#
#  88 GLU          HA   88 GLU         HG+  4.00   (#   3962:20  Preassigned   2.38, 2.92 A)
 &rst
  ixpk= 3962, nxpk= 20, iat=1373,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=1378,1379,
 &end
#
#  29 GLU         HB-   29 GLU         HG+  2.80   (#   3963:20  Preassigned   2.27, 2.68 A)
 &rst
  ixpk= 3963, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 464, 465,
 igr2= 467, 468,
 &end
#
#  32 VAL         MGX   20 GLU         HG+  5.50   (#   3965:20  Preassigned   2.51, 6.03 A)
 &rst
  ixpk= 3965, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 522, 523, 524, 526, 527, 528,
 igr2= 297, 298,
 &end
#
#  32 VAL         MGX   20 GLU         HG-  5.50   (#   3966:20  Preassigned   2.51, 6.03 A)
 &rst
  ixpk= 3966, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 522, 523, 524, 526, 527, 528,
 igr2= 297, 298,
 &end
#
#  20 GLU         HB+   20 GLU         HG-  5.50   (#   3967:20  Preassigned   2.20, 2.75 A)
 &rst
  ixpk= 3967, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 294, 295,
 igr2= 297, 298,
 &end
#
#  20 GLU          HA   20 GLU         HG-  5.50   (#   3968:20  Preassigned   2.90, 3.65 A)
 &rst
  ixpk= 3968, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 297, 298,
 &end
#
#  20 GLU          HA   20 GLU         HG+  5.50   (#   3969:20  Preassigned   2.90, 3.65 A)
 &rst
  ixpk= 3969, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 297, 298,
 &end
#
# 122 GLU          HA  122 GLU         HG-  5.50   (#   3970:20  Preassigned   2.39, 3.28 A)
 &rst
  ixpk= 3970, nxpk= 20, iat=1931,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1936,1937,
 &end
#
# 117 TYR          HA  117 TYR         HB-  5.50   (#   3974:20      Unique   2.36, 2.74 A)
 &rst
  ixpk= 3974, nxpk= 20, iat=1829,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1831,1832,
 &end
#
# 139 ALA          MB   26 TYR         HB+  5.50   (#   3977:20  Preassigned   2.39, 3.06 A)
 &rst
  ixpk= 3977, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2216,2217,2218,
 igr2= 412, 413,
 &end
#
#  21 ARG          HA   21 ARG         HD+  5.50   (#   3979:20  Preassigned   2.12, 3.80 A)
 &rst
  ixpk= 3979, nxpk= 20, iat= 307,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 315, 316,
 &end
#
#  37 LEU         MDX   89 ARG         HD+  5.50   (#   3982:20  Preassigned   2.45, 5.81 A)
 &rst
  ixpk= 3982, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 584, 585, 586, 588, 589, 590,
 igr2=1396,1397,
 &end
#
#  37 LEU         MDY   89 ARG         HD+  5.50   (#   3983:20  Preassigned   2.45, 5.81 A)
 &rst
  ixpk= 3983, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 584, 585, 586, 588, 589, 590,
 igr2=1396,1397,
 &end
#
#  43 LYS          HA   44 GLY         HA-  5.50   (#   3986:20  Preassigned   4.43, 4.58 A)
 &rst
  ixpk= 3986, nxpk= 20, iat= 655,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 677, 678,
 &end
#
# 127 VAL         MGX  116 PRO         HD-  5.50   (#   4003:20      Unique   2.12, 4.31 A)
 &rst
  ixpk= 4003, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2004,2005,2006,2008,2009,2010,
 igr2=1814,1815,
 &end
#
#   0 AMB   20-2:4004    0 AMB   20-1:4004  5.50   (#   4004:20      Double   Ambig  )
 &rst
  ixpk= 4004, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1=2004,2005,2006,2008,2009,2010,2004,2005,2006,2008,
      2009,2010,
 igr2=1814,1815,1814,1815,
 &end
#
#   0 AMB   20-2:4007    0 AMB   20-1:4007  7.00   (#   4007:20      Double   Ambig  )
 &rst
  ixpk= 4007, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=13.34, r4=14.09,
 igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
       901, 902,
 igr2= 253, 254, 253, 254,
 &end
#
# 115 ASP         HB+  115 ASP          HA  5.50   (#   4010:20  Preassigned   2.33, 2.71 A)
 &rst
  ixpk= 4010, nxpk= 20, iat=  -1,1803, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1805,1806,
 &end
#
# 116 PRO         HD-  115 ASP          HA  5.50   (#   4011:20  Preassigned   2.20, 2.41 A)
 &rst
  ixpk= 4011, nxpk= 20, iat=  -1,1803, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1814,1815,
 &end
#
#  46 ASP         HB+   47 PRO         HD+  6.00   (#   4012:20  Preassigned   3.97, 4.53 A)
 &rst
  ixpk= 4012, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 696, 697,
 igr2= 705, 706,
 &end
#
#  78 LEU         MDY  100 LYS          HA  4.00   (#   4013:20  Preassigned   2.41, 5.31 A)
 &rst
  ixpk= 4013, nxpk= 20, iat=  -1,1561, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1195,1196,1197,1199,1200,1201,
 &end
#
#   0 AMB   20-2:4014  100 LYS          HA  5.50   (#   4014:20      Single   Ambig  )
 &rst
  ixpk= 4014, nxpk= 20, iat=  -1,1561, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1587,1588,1589,1591,1592,1593,1587,1588,1589,1591,
      1592,1593,
 &end
#
# 100 LYS         HD+  100 LYS          HA  5.50   (#   4015:20  Preassigned   2.26, 3.93 A)
 &rst
  ixpk= 4015, nxpk= 20, iat=  -1,1561, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1569,1570,
 &end
#
# 100 LYS         HD-  100 LYS          HA  5.50   (#   4016:20  Preassigned   2.26, 3.93 A)
 &rst
  ixpk= 4016, nxpk= 20, iat=  -1,1561, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1569,1570,
 &end
#
# 100 LYS         HB-  100 LYS          HA  5.50   (#   4017:20  Preassigned   2.35, 2.74 A)
 &rst
  ixpk= 4017, nxpk= 20, iat=  -1,1561, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1563,1564,
 &end
#
# 100 LYS         HB+  100 LYS          HA  2.80   (#   4018:20  Preassigned   2.35, 2.74 A)
 &rst
  ixpk= 4018, nxpk= 20, iat=  -1,1561, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1563,1564,
 &end
#
#  24 GLN         HB+   21 ARG          HA  5.50   (#   4021:20  Preassigned   2.25, 2.96 A)
 &rst
  ixpk= 4021, nxpk= 20, iat=  -1, 307, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 371, 372,
 &end
#
# 113 ILE        HG1-  113 ILE          HA  5.50   (#   4022:20  Preassigned   2.23, 2.73 A)
 &rst
  ixpk= 4022, nxpk= 20, iat=  -1,1770, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1778,1779,
 &end
#
#  74 ARG         HG+   74 ARG          HA  4.00   (#   4023:20  Preassigned   2.35, 2.79 A)
 &rst
  ixpk= 4023, nxpk= 20, iat=  -1,1117, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1122,1123,
 &end
#
#  74 ARG         HB-   74 ARG          HA  4.00   (#   4024:20  Preassigned   2.46, 2.80 A)
 &rst
  ixpk= 4024, nxpk= 20, iat=  -1,1117, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=1119,1120,
 &end
#
#  74 ARG         HB+   74 ARG          HA  5.50   (#   4025:20  Preassigned   2.46, 2.80 A)
 &rst
  ixpk= 4025, nxpk= 20, iat=  -1,1117, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1119,1120,
 &end
#
#  63 HIS         HB-   63 HIS          HA  5.50   (#   4026:20  Preassigned   2.45, 2.79 A)
 &rst
  ixpk= 4026, nxpk= 20, iat=  -1, 930, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 932, 933,
 &end
#
#  74 ARG         HD+   74 ARG          HA  5.50   (#   4028:20  Preassigned   2.45, 4.40 A)
 &rst
  ixpk= 4028, nxpk= 20, iat=  -1,1117, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1125,1126,
 &end
#
#   0 AMB   20-2:4029   74 ARG          HA  5.50   (#   4029:20      Single   Ambig  )
 &rst
  ixpk= 4029, nxpk= 20, iat=  -1,1117, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1106,1063,
 &end
#
#  89 ARG         HD-   85 ARG          HA  5.50   (#   4030:20  Preassigned   3.66, 5.31 A)
 &rst
  ixpk= 4030, nxpk= 20, iat=  -1,1313, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1396,1397,
 &end
#
#  26 TYR         HB-   26 TYR          HA  5.50   (#   4031:20  Preassigned   2.42, 2.75 A)
 &rst
  ixpk= 4031, nxpk= 20, iat=  -1, 410, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 412, 413,
 &end
#
#   0 AMB   20-2:4032  136 ARG          HA  5.50   (#   4032:20      Single   Ambig  )
 &rst
  ixpk= 4032, nxpk= 20, iat=  -1,2149, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2157,2158,2157,2158,
 &end
#
#  80 LEU         MDX  104 PHE          HA  5.50   (#   4033:20  Preassigned   3.00, 5.57 A)
 &rst
  ixpk= 4033, nxpk= 20, iat=  -1,1635, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1233,1234,1235,1237,1238,1239,
 &end
#
#   7 VAL         MGX   16 SER         HB+  6.00   (#   4034:20  Preassigned   2.14, 5.06 A)
 &rst
  ixpk= 4034, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 113, 114, 115, 117, 118, 119,
 igr2= 245, 246,
 &end
#
#   7 VAL         MGX   16 SER         HB-  5.50   (#   4035:20  Preassigned   2.14, 5.06 A)
 &rst
  ixpk= 4035, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 113, 114, 115, 117, 118, 119,
 igr2= 245, 246,
 &end
#
#   7 VAL         MGY   16 SER          HA  2.80   (#   4036:20  Preassigned   2.28, 3.91 A)
 &rst
  ixpk= 4036, nxpk= 20, iat=  -1, 243, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 113, 114, 115, 117, 118, 119,
 &end
#
#  48 THR          HB   48 THR          HA  7.00   (#   4038:20  Preassigned   2.98, 3.01 A)
 &rst
  ixpk= 4038, nxpk= 20, iat= 722, 720, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
# 123 THR         MG2  123 THR          HB  4.00   (#   4041:20  Preassigned   2.39, 2.66 A)
 &rst
  ixpk= 4041, nxpk= 20, iat=  -1,1948, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1=1950,1951,1952,
 &end
#
#   0 AMB   20-2:4042  123 THR          HB  5.50   (#   4042:20      Single   Ambig  )
 &rst
  ixpk= 4042, nxpk= 20, iat=  -1,1948, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1876,1877,1876,1877,
 &end
#
#   0 AMB   20-2:4043  123 THR          HB  5.50   (#   4043:20      Single   Ambig  )
 &rst
  ixpk= 4043, nxpk= 20, iat=  -1,1948, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1823,1946,
 &end
#
# 131 LEU         MDX   18 THR          HB  5.50   (#   4044:20  Preassigned   2.18, 3.81 A)
 &rst
  ixpk= 4044, nxpk= 20, iat=  -1, 270, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2077,2078,2079,2081,2082,2083,
 &end
#
#  18 THR         MG2   18 THR          HB  4.00   (#   4045:20  Preassigned   2.37, 2.66 A)
 &rst
  ixpk= 4045, nxpk= 20, iat=  -1, 270, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 272, 273, 274,
 &end
#
#   0 AMB   20-2:4046   18 THR          HB  5.50   (#   4046:20      Single   Ambig  )
 &rst
  ixpk= 4046, nxpk= 20, iat=  -1, 270, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 268,2016,
 &end
#
# 126 ALA          HA  129 THR          HB  4.00   (#   4047:20  Preassigned   2.90, 3.11 A)
 &rst
  ixpk= 4047, nxpk= 20, iat=1990,2039, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  18 THR          HN   18 THR          HB  5.50   (#   4048:20  Preassigned   2.38, 2.60 A)
 &rst
  ixpk= 4048, nxpk= 20, iat= 266, 270, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  19 ALA          HN   18 THR          HB  5.50   (#   4049:20  Preassigned   2.39, 2.49 A)
 &rst
  ixpk= 4049, nxpk= 20, iat= 280, 270, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 124 PHE          HN  123 THR          HB  5.50   (#   4050:20  Preassigned   2.56, 2.64 A)
 &rst
  ixpk= 4050, nxpk= 20, iat=1958,1948, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 123 THR          HN  123 THR          HB  5.50   (#   4051:20  Preassigned   2.58, 2.78 A)
 &rst
  ixpk= 4051, nxpk= 20, iat=1944,1948, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 138 TRP         HE1  104 PHE          HA  4.00   (#   4052:20  Preassigned   1.83, 2.27 A)
 &rst
  ixpk= 4052, nxpk= 20, iat=2198,1635, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  96 GLU          HN   95 PRO         HD-  5.50   (#   4053:20  Preassigned   2.79, 3.52 A)
 &rst
  ixpk= 4053, nxpk= 20, iat=1496,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1483,1484,
 &end
#
#  39 ALA          HN   38 GLY         HA-  5.50   (#   4054:20  Preassigned   2.46, 3.09 A)
 &rst
  ixpk= 4054, nxpk= 20, iat= 601,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 596, 597,
 &end
#
#  38 GLY          HN   38 GLY         HA-  5.50   (#   4055:20  Preassigned   2.46, 2.76 A)
 &rst
  ixpk= 4055, nxpk= 20, iat= 594,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 596, 597,
 &end
#
#  62 GLY          HN   62 GLY         HA+  5.50   (#   4056:20  Preassigned   2.27, 2.66 A)
 &rst
  ixpk= 4056, nxpk= 20, iat= 921,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 923, 924,
 &end
#
#  63 HIS          HN   62 GLY         HA+  6.00   (#   4057:20  Preassigned   2.14, 3.09 A)
 &rst
  ixpk= 4057, nxpk= 20, iat= 928,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 923, 924,
 &end
#
#  44 GLY          HN   44 GLY         HA-  2.80   (#   4058:20  Preassigned   2.33, 2.68 A)
 &rst
  ixpk= 4058, nxpk= 20, iat= 675,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 677, 678,
 &end
#
#  45 ALA          HN   44 GLY         HA-  4.00   (#   4059:20  Preassigned   2.39, 2.65 A)
 &rst
  ixpk= 4059, nxpk= 20, iat= 682,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 677, 678,
 &end
#
#  96 GLU          HN   96 GLU         HG+  5.50   (#   4060:20  Preassigned   1.92, 3.16 A)
 &rst
  ixpk= 4060, nxpk= 20, iat=1496,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1503,1504,
 &end
#
#  34 SER          HN   33 GLU         HB-  6.00   (#   4061:20      Unique   2.13, 3.27 A)
 &rst
  ixpk= 4061, nxpk= 20, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 536, 537,
 &end
#
#  24 GLN          HN   24 GLN         HB+  5.50   (#   4064:20  Preassigned   2.08, 2.62 A)
 &rst
  ixpk= 4064, nxpk= 20, iat= 367,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 371, 372,
 &end
#
# 138 TRP          HN  138 TRP         HB+  5.50   (#   4068:20  Preassigned   2.15, 2.92 A)
 &rst
  ixpk= 4068, nxpk= 20, iat=2188,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2192,2193,
 &end
#
# 139 ALA          HN  138 TRP         HB+  7.00   (#   4069:20  Preassigned   2.68, 3.22 A)
 &rst
  ixpk= 4069, nxpk= 20, iat=2212,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=2192,2193,
 &end
#
#  56 HIS         HD2   56 HIS         HB-  7.00   (#   4070:20  Preassigned   2.59, 3.39 A)
 &rst
  ixpk= 4070, nxpk= 20, iat= 836,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 827, 828,
 &end
#
#  18 THR          HN   17 PRO         HG+  5.50   (#   4071:20  Preassigned   2.19, 3.61 A)
 &rst
  ixpk= 4071, nxpk= 20, iat= 266,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 256, 257,
 &end
#
# 101 VAL          HA   79 ILE         QG2  5.50   (#   4072:20  Preassigned   2.94, 4.26 A)
 &rst
  ixpk= 4072, nxpk= 20, iat=1583,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1211,1212,1213,
 &end
#
# 107 TRP         HD1  141 ALA          MB  6.00   (#   4073:20  Preassigned   3.50, 6.45 A)
 &rst
  ixpk= 4073, nxpk= 20, iat=1685,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=2243,2244,2245,
 &end
#
#  48 THR         MG2   51 SER         HB-  6.00   (#   4075:20  Preassigned   3.39, 5.23 A)
 &rst
  ixpk= 4075, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 724, 725, 726,
 igr2= 765, 766,
 &end
#
#  48 THR         MG2   51 SER         HB+  6.00   (#   4076:20  Preassigned   3.39, 5.23 A)
 &rst
  ixpk= 4076, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 724, 725, 726,
 igr2= 765, 766,
 &end
#
#  52 VAL         MGY   51 SER         HB+  5.50   (#   4077:20  Preassigned   2.84, 5.35 A)
 &rst
  ixpk= 4077, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 778, 779, 780, 782, 783, 784,
 igr2= 765, 766,
 &end
#
# 132 GLU         HG-  132 GLU          HA  4.00   (#   4078:20  Preassigned   2.42, 2.95 A)
 &rst
  ixpk= 4078, nxpk= 20, iat=  -1,2089, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1=2094,2095,
 &end
#
# 111 CYS          HN  111 CYS          HA  5.50   (#   4079:20  Preassigned   2.88, 2.95 A)
 &rst
  ixpk= 4079, nxpk= 20, iat=1742,1744, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   0 AMB   20-2:4080  139 ALA          HA  5.50   (#   4080:20      Single   Ambig  )
 &rst
  ixpk= 4080, nxpk= 20, iat=  -1,2214, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=2253,2254,2216,2217,2218,
 &end
#
#  54 ALA          MB   54 ALA          HA  2.80   (#   4081:20  Preassigned   2.40, 2.65 A)
 &rst
  ixpk= 4081, nxpk= 20, iat=  -1, 800, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 802, 803, 804,
 &end
#
#  17 PRO         HB-   17 PRO         HD+  7.00   (#   4083:20      Unique   2.78, 3.75 A)
 &rst
  ixpk= 4083, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 259, 260,
 igr2= 253, 254,
 &end
#
# 123 THR         MG2  119 LYS         HE+  5.50   (#   4087:20  Preassigned   2.43, 4.80 A)
 &rst
  ixpk= 4087, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1950,1951,1952,
 igr2=1885,1886,
 &end
#
#  22 LEU         MDY  131 LEU         HB-  5.50   (#   4089:20  Preassigned   2.81, 6.83 A)
 &rst
  ixpk= 4089, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2=2072,2073,
 &end
#
#   0 AMB   20-2:4091   21 ARG         HD-  7.00   (#   4091:20      Single   Ambig  )
 &rst
  ixpk= 4091, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
 igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
       901, 902,
 igr2= 315, 316,
 &end
#
#  76 TYR          HE    0 AMB   20-1:4092  5.50   (#   4092:20      Single   Ambig  )
 &rst
  ixpk= 4092, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1163,1168,
 igr2=1143,1144,1143,1144,
 &end
#
#  41 VAL         MGX   66 ARG         HB-  6.00   (#   4094:20  Preassigned   3.45, 5.79 A)
 &rst
  ixpk= 4094, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 636, 637, 638, 640, 641, 642,
 igr2= 970, 971,
 &end
#
#   0 AMB   20-2:4096    0 AMB   20-1:4096  5.50   (#   4096:20      Double   Ambig  )
 &rst
  ixpk= 4096, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=2175,2176,2154,2155,
 igr2=2178,2179,2178,2179,
 &end
#
#  43 LYS          HA   43 LYS         HB+  5.50   (#   4098:20  Preassigned   2.42, 2.79 A)
 &rst
  ixpk= 4098, nxpk= 20, iat= 655,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 657, 658,
 &end
#
#  37 LEU         MDX   86 HIS         HB-  5.50   (#   4099:20  Preassigned   2.27, 5.25 A)
 &rst
  ixpk= 4099, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 584, 585, 586, 588, 589, 590,
 igr2=1339,1340,
 &end
#
#   0 AMB   20-2:4100   83 GLU         HB-  5.50   (#   4100:20      Single   Ambig  )
 &rst
  ixpk= 4100, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1281,1282,1315,1316,
 igr2=1278,1279,
 &end
#
#  94 ALA          MB   93 MET         HG-  5.50   (#   4104:20  Preassigned   2.62, 6.58 A)
 &rst
  ixpk= 4104, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1476,1477,1478,
 igr2=1462,1463,
 &end
#
# 116 PRO          HA  119 LYS         HD-  5.50   (#   4107:20  Preassigned   2.29, 4.44 A)
 &rst
  ixpk= 4107, nxpk= 20, iat=1823,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1882,1883,
 &end
#
# 132 GLU          HA  132 GLU         HB-  5.50   (#   4108:20  Preassigned   2.45, 2.78 A)
 &rst
  ixpk= 4108, nxpk= 20, iat=2089,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2091,2092,
 &end
#
# 119 LYS         HE+  119 LYS         HD-  4.00   (#   4109:20  Preassigned   2.38, 2.68 A)
 &rst
  ixpk= 4109, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1885,1886,
 igr2=1882,1883,
 &end
#
# 141 ALA          HN  140 GLN         HB+  5.50   (#   4110:20  Preassigned   2.66, 3.64 A)
 &rst
  ixpk= 4110, nxpk= 20, iat=2239,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2226,2227,
 &end
#
# 140 GLN          HN  140 GLN         HB+  4.00   (#   4111:20  Preassigned   2.09, 2.67 A)
 &rst
  ixpk= 4111, nxpk= 20, iat=2222,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=2226,2227,
 &end
#
#   0 AMB   20-2:4112    0 AMB   20-1:4112  4.00   (#   4112:20      Double   Ambig  )
 &rst
  ixpk= 4112, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
 igr1=2224,1931,
 igr2=2226,2227,1933,1934,
 &end
#
#   5 ILE          HB    5 ILE        HG1-  4.00   (#   4113:20  Preassigned   2.36, 2.71 A)
 &rst
  ixpk= 4113, nxpk= 20, iat=  73,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2=  79,  80,
 &end
#
#  47 PRO         HB-   47 PRO         HG+  2.80   (#   4114:20  Preassigned   2.38, 2.63 A)
 &rst
  ixpk= 4114, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 711, 712,
 igr2= 708, 709,
 &end
#
#  85 ARG         HD-   85 ARG         HG-  4.00   (#   4119:20  Preassigned   2.28, 2.68 A)
 &rst
  ixpk= 4119, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1321,1322,
 igr2=1318,1319,
 &end
#
#  85 ARG         HD+   85 ARG         HG-  4.00   (#   4120:20  Preassigned   2.28, 2.68 A)
 &rst
  ixpk= 4120, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1321,1322,
 igr2=1318,1319,
 &end
#
#  83 GLU         HB+   85 ARG         HG-  5.50   (#   4121:20  Preassigned   2.33, 4.50 A)
 &rst
  ixpk= 4121, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1278,1279,
 igr2=1318,1319,
 &end
#
#  89 ARG          HA   89 ARG         HG+  5.50   (#   4122:20  Preassigned   2.26, 3.01 A)
 &rst
  ixpk= 4122, nxpk= 20, iat=1388,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1393,1394,
 &end
#
#  86 HIS          HA   89 ARG         HG+  5.50   (#   4123:20  Preassigned   4.04, 4.79 A)
 &rst
  ixpk= 4123, nxpk= 20, iat=1337,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1393,1394,
 &end
#
# 101 VAL          HA   90 LEU         MDX  6.00   (#   4124:20  Preassigned   4.29, 6.18 A)
 &rst
  ixpk= 4124, nxpk= 20, iat=1583,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1419,1420,1421,1423,1424,1425,
 &end
#
#  35 ALA          HA   66 ARG         HG+  6.00   (#   4126:20      Unique   2.22, 3.61 A)
 &rst
  ixpk= 4126, nxpk= 20, iat= 560,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 973, 974,
 &end
#
#  76 TYR          HE    6 LEU         MDX  6.00   (#   4127:20  Preassigned   2.83, 4.86 A)
 &rst
  ixpk= 4127, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1163,1168,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#  22 LEU          HG   22 LEU         MDY  4.00   (#   4128:20  Preassigned   2.39, 2.66 A)
 &rst
  ixpk= 4128, nxpk= 20, iat= 336,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#  43 LYS          HA   43 LYS         HG-  5.50   (#   4130:20  Preassigned   2.33, 2.89 A)
 &rst
  ixpk= 4130, nxpk= 20, iat= 655,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 660, 661,
 &end
#
#  27 HIS          HA   30 LEU         MDX  6.00   (#   4132:20  Preassigned   4.07, 6.72 A)
 &rst
  ixpk= 4132, nxpk= 20, iat= 431,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 484, 485, 486, 488, 489, 490,
 &end
#
#  89 ARG         HD-   37 LEU         MDX  6.00   (#   4133:20  Preassigned   2.45, 5.81 A)
 &rst
  ixpk= 4133, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1396,1397,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#  25 ARG         HD-   22 LEU         MDX  7.00   (#   4134:20  Preassigned   2.36, 6.11 A)
 &rst
  ixpk= 4134, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 394, 395,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#  39 ALA          HA   40 LEU         MDY  6.00   (#   4135:20  Preassigned   3.23, 5.83 A)
 &rst
  ixpk= 4135, nxpk= 20, iat= 603,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 620, 621, 622, 624, 625, 626,
 &end
#
#  21 ARG         HB+   58 LEU         MDY  5.50   (#   4142:20  Preassigned   2.12, 3.64 A)
 &rst
  ixpk= 4142, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 309, 310,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
# 130 LEU         HB+  130 LEU         MDY  4.00   (#   4144:20  Preassigned   2.36, 3.36 A)
 &rst
  ixpk= 4144, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=2053,2054,
 igr2=2058,2059,2060,2062,2063,2064,
 &end
#
#   0 AMB   20-2:4145   32 VAL         MGX  2.80   (#   4145:20      Single   Ambig  )
 &rst
  ixpk= 4145, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=  73, 352, 353,
 igr2= 522, 523, 524, 526, 527, 528,
 &end
#
# 104 PHE         HB+    7 VAL         MGX  6.00   (#   4146:20      Unique   4.76, 7.82 A)
 &rst
  ixpk= 4146, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1637,1638,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
#   0 AMB   20-2:4147    7 VAL         MGX  7.00   (#   4147:20      Single   Ambig  )
 &rst
  ixpk= 4147, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 125, 518,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
#  79 ILE          HA    7 VAL         MGX  6.00   (#   4148:20  Preassigned   4.81, 6.49 A)
 &rst
  ixpk= 4148, nxpk= 20, iat=1207,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
# 111 CYS          HA  103 LEU         MDY  6.00   (#   4151:20  Preassigned   4.16, 6.43 A)
 &rst
  ixpk= 4151, nxpk= 20, iat=1744,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
# 133 ARG         HD+  129 THR         MG2  6.00   (#   4152:20  Preassigned   3.45, 6.40 A)
 &rst
  ixpk= 4152, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=2112,2113,
 igr2=2041,2042,2043,
 &end
#
# 132 GLU         HG+  129 THR         MG2  6.00   (#   4153:20  Preassigned   5.04, 7.11 A)
 &rst
  ixpk= 4153, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=2094,2095,
 igr2=2041,2042,2043,
 &end
#
#   0 AMB   20-2:4155   19 ALA          MB  5.50   (#   4155:20      Single   Ambig  )
 &rst
  ixpk= 4155, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2139,2070,
 igr2= 284, 285, 286,
 &end
#
#  18 THR          HB   19 ALA          MB  6.50   (#   4156:20  Preassigned   4.01, 4.83 A)
 &rst
  ixpk= 4156, nxpk= 20, iat= 270,  -1, r1= 0.00, r2= 1.80, r3= 7.81, r4= 8.56,
 igr2= 284, 285, 286,
 &end
#
# 104 PHE          HZ    5 ILE         QG2  6.00   (#   4161:20      Unique   5.71, 6.41 A)
 &rst
  ixpk= 4161, nxpk= 20, iat=1645,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=  75,  76,  77,
 &end
#
#   6 LEU          HA    5 ILE         QG2  6.00   (#   4162:20  Preassigned   3.65, 4.86 A)
 &rst
  ixpk= 4162, nxpk= 20, iat=  90,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=  75,  76,  77,
 &end
#
#  59 SER          HA   50 ILE         QG2  5.50   (#   4163:20  Preassigned   3.99, 5.94 A)
 &rst
  ixpk= 4163, nxpk= 20, iat= 878,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 748, 749, 750,
 &end
#
#  60 LEU          HN   50 ILE         QG2  6.00   (#   4164:20  Preassigned   3.14, 5.24 A)
 &rst
  ixpk= 4164, nxpk= 20, iat= 887,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 748, 749, 750,
 &end
#
#  93 MET          HA   93 MET          ME  5.50   (#   4166:20  Preassigned   3.69, 5.10 A)
 &rst
  ixpk= 4166, nxpk= 20, iat=1457,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1466,1467,1468,
 &end
#
#  90 LEU          HA   93 MET          ME  5.50   (#   4167:20  Preassigned   2.28, 4.97 A)
 &rst
  ixpk= 4167, nxpk= 20, iat=1412,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1466,1467,1468,
 &end
#
#  70 ARG          HA   93 MET          ME  5.50   (#   4168:20  Preassigned   4.28, 6.11 A)
 &rst
  ixpk= 4168, nxpk= 20, iat=1039,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1466,1467,1468,
 &end
#
#  93 MET         HG-   93 MET          ME  4.00   (#   4169:20  Preassigned   2.50, 3.72 A)
 &rst
  ixpk= 4169, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1462,1463,
 igr2=1466,1467,1468,
 &end
#
#  93 MET         HG+   93 MET          ME  5.50   (#   4170:20  Preassigned   2.50, 3.72 A)
 &rst
  ixpk= 4170, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1462,1463,
 igr2=1466,1467,1468,
 &end
#
#   0 AMB   20-2:4171   93 MET          ME  4.00   (#   4171:20      Single   Ambig  )
 &rst
  ixpk= 4171, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
 igr1=1419,1420,1421,1423,1424,1425, 584, 585, 586, 588,
       589, 590,
 igr2=1466,1467,1468,
 &end
#
# 101 VAL          HA   79 ILE         QD1  5.50   (#   4176:20  Preassigned   3.82, 5.54 A)
 &rst
  ixpk= 4176, nxpk= 20, iat=1583,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1218,1219,1220,
 &end
#
#  32 VAL          HA    5 ILE         QD1  6.00   (#   4177:20  Preassigned   4.25, 5.41 A)
 &rst
  ixpk= 4177, nxpk= 20, iat= 518,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=  82,  83,  84,
 &end
#
#   6 LEU         MDY   79 ILE         QD1  6.00   (#   4179:20  Preassigned   2.28, 5.66 A)
 &rst
  ixpk= 4179, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2=1218,1219,1220,
 &end
#
#   6 LEU          HA    5 ILE         QD1  7.00   (#   4180:20  Preassigned   6.86, 7.60 A)
 &rst
  ixpk= 4180, nxpk= 20, iat=  90,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2=  82,  83,  84,
 &end
#
# 114 PRO         HD+  113 ILE         QD1  6.00   (#   4181:20  Preassigned   4.81, 6.01 A)
 &rst
  ixpk= 4181, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1788,1789,
 igr2=1781,1782,1783,
 &end
#
#  32 VAL         MGY   32 VAL          HA  2.80   (#   4182:20  Preassigned   2.26, 3.26 A)
 &rst
  ixpk= 4182, nxpk= 20, iat=  -1, 518, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 522, 523, 524, 526, 527, 528,
 &end
#
#  35 ALA          MB   34 SER          HA  6.00   (#   4184:20  Preassigned   4.27, 4.93 A)
 &rst
  ixpk= 4184, nxpk= 20, iat=  -1, 549, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 562, 563, 564,
 &end
#
#  32 VAL         MGY    4 ASN          HA  6.00   (#   4185:20  Preassigned   5.21, 7.11 A)
 &rst
  ixpk= 4185, nxpk= 20, iat=  -1,  57, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 522, 523, 524, 526, 527, 528,
 &end
#
#   0 AMB   20-2:4191   91 CYS          HA  7.00   (#   4191:20      Single   Ambig  )
 &rst
  ixpk= 4191, nxpk= 20, iat=  -1,1431, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1515,1516,1459,1460,
 &end
#
#  22 LEU         MDY  132 GLU         HB-  5.50   (#   4192:20  Preassigned   2.31, 4.46 A)
 &rst
  ixpk= 4192, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2=2091,2092,
 &end
#
# 123 THR         MG2  119 LYS         HD-  5.50   (#   4194:20  Preassigned   2.34, 4.71 A)
 &rst
  ixpk= 4194, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1950,1951,1952,
 igr2=1882,1883,
 &end
#
# 119 LYS         HG-  119 LYS         HD-  5.50   (#   4195:20  Preassigned   2.29, 2.66 A)
 &rst
  ixpk= 4195, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1879,1880,
 igr2=1882,1883,
 &end
#
# 130 LEU          HA  129 THR         MG2  5.50   (#   4196:20  Preassigned   3.90, 5.03 A)
 &rst
  ixpk= 4196, nxpk= 20, iat=2051,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=2041,2042,2043,
 &end
#
# 133 ARG          HA  129 THR         MG2  7.00   (#   4197:20  Preassigned   5.86, 6.87 A)
 &rst
  ixpk= 4197, nxpk= 20, iat=2104,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2=2041,2042,2043,
 &end
#
#  79 ILE         QG2   97 MET          ME  5.50   (#   4198:20  Preassigned   3.17, 6.68 A)
 &rst
  ixpk= 4198, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1211,1212,1213,
 igr2=1522,1523,1524,
 &end
#
#  79 ILE        HG1-   97 MET          ME  5.50   (#   4199:20  Preassigned   2.21, 4.26 A)
 &rst
  ixpk= 4199, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1215,1216,
 igr2=1522,1523,1524,
 &end
#
#   0 AMB   20-2:4200   97 MET          ME  5.50   (#   4200:20      Single   Ambig  )
 &rst
  ixpk= 4200, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
 igr1=1476,1477,1478,1190,1191,
 igr2=1522,1523,1524,
 &end
#
#  79 ILE        HG1+   97 MET          ME  5.50   (#   4201:20  Preassigned   2.21, 4.26 A)
 &rst
  ixpk= 4201, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1215,1216,
 igr2=1522,1523,1524,
 &end
#
# 100 LYS         HD+   97 MET          ME  5.50   (#   4202:20  Preassigned   2.43, 4.73 A)
 &rst
  ixpk= 4202, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1569,1570,
 igr2=1522,1523,1524,
 &end
#
#  30 LEU         HB+    1 MET          ME  4.00   (#   4203:20      Unique   3.68, 7.43 A)
 &rst
  ixpk= 4203, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 479, 480,
 igr2=  15,  16,  17,
 &end
#
# 104 PHE          HN  104 PHE         HB+  5.50   (#   4209:20  Preassigned   2.07, 2.80 A)
 &rst
  ixpk= 4209, nxpk= 20, iat=1633,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1637,1638,
 &end
#
#  21 ARG          HN   20 GLU         HG-  7.00   (#   4210:20  Preassigned   2.08, 2.98 A)
 &rst
  ixpk= 4210, nxpk= 20, iat= 305,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 297, 298,
 &end
#
#  20 GLU          HN   20 GLU         HG-  7.00   (#   4211:20  Preassigned   2.11, 3.42 A)
 &rst
  ixpk= 4211, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 297, 298,
 &end
#
#  60 LEU          HN   60 LEU         HB-  7.00   (#   4214:20  Preassigned   2.18, 2.92 A)
 &rst
  ixpk= 4214, nxpk= 20, iat= 887,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 891, 892,
 &end
#
#  88 GLU          HA    0 AMB   20-1:4216  2.80   (#   4216:20      Single   Ambig  )
 &rst
  ixpk= 4216, nxpk= 20, iat=1373,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1375,1376,1375,1376,
 &end
#
#  67 GLN         HG-   67 GLN         HB+  5.50   (#   4218:20  Preassigned   2.33, 2.68 A)
 &rst
  ixpk= 4218, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 997, 998,
 igr2= 994, 995,
 &end
#
#  67 GLN         HG-   67 GLN         HB-  5.50   (#   4219:20  Preassigned   2.33, 2.68 A)
 &rst
  ixpk= 4219, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 997, 998,
 igr2= 994, 995,
 &end
#
#  67 GLN         HG+   67 GLN         HB-  5.50   (#   4220:20  Preassigned   2.33, 2.68 A)
 &rst
  ixpk= 4220, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 997, 998,
 igr2= 994, 995,
 &end
#
#  80 LEU         MDY  102 MET         HG-  6.00   (#   4221:20  Preassigned   2.46, 6.05 A)
 &rst
  ixpk= 4221, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1233,1234,1235,1237,1238,1239,
 igr2=1604,1605,
 &end
#
# 102 MET         HB-  102 MET         HG+  5.50   (#   4222:20  Preassigned   2.32, 2.73 A)
 &rst
  ixpk= 4222, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1601,1602,
 igr2=1604,1605,
 &end
#
#   1 MET         HB+    1 MET         HG+  2.80   (#   4223:20  Preassigned   2.31, 2.66 A)
 &rst
  ixpk= 4223, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=   8,   9,
 igr2=  11,  12,
 &end
#
#  96 GLU          HA   96 GLU         HG+  5.50   (#   4224:20  Preassigned   2.40, 3.57 A)
 &rst
  ixpk= 4224, nxpk= 20, iat=1498,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1503,1504,
 &end
#
# 103 LEU         MDX  110 GLU         HG-  6.00   (#   4227:20  Preassigned   2.41, 6.12 A)
 &rst
  ixpk= 4227, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1623,1624,1625,1627,1628,1629,
 igr2=1734,1735,
 &end
#
# 103 LEU         MDX  110 GLU         HG+  6.00   (#   4228:20  Preassigned   2.41, 6.12 A)
 &rst
  ixpk= 4228, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1623,1624,1625,1627,1628,1629,
 igr2=1734,1735,
 &end
#
#   0 AMB   20-2:4230   83 GLU         HG-  5.50   (#   4230:20      Single   Ambig  )
 &rst
  ixpk= 4230, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1757,1758,1278,1279,
 igr2=1281,1282,
 &end
#
#  89 ARG          HA   89 ARG         HD+  5.50   (#   4232:20  Preassigned   2.11, 3.70 A)
 &rst
  ixpk= 4232, nxpk= 20, iat=1388,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1396,1397,
 &end
#
#  85 ARG          HA   85 ARG         HD+  5.50   (#   4233:20  Preassigned   2.17, 4.51 A)
 &rst
  ixpk= 4233, nxpk= 20, iat=1313,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1321,1322,
 &end
#
#  86 HIS          HA   89 ARG         HD+  5.50   (#   4234:20  Preassigned   3.41, 5.04 A)
 &rst
  ixpk= 4234, nxpk= 20, iat=1337,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1396,1397,
 &end
#
#   0 AMB   20-2:4236   71 ARG          HA  4.00   (#   4236:20      Single   Ambig  )
 &rst
  ixpk= 4236, nxpk= 20, iat=  -1,1063, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
 igr1=1071,1072,1125,1126,
 &end
#
# 128 TYR         HB+   18 THR         MG2  6.00   (#   4240:20      Unique   3.03, 5.11 A)
 &rst
  ixpk= 4240, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=2018,2019,
 igr2= 272, 273, 274,
 &end
#
#  50 ILE          HB   50 ILE        HG1-  5.50   (#   4242:20  Preassigned   2.50, 2.80 A)
 &rst
  ixpk= 4242, nxpk= 20, iat= 746,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 752, 753,
 &end
#
#  45 ALA          MB   50 ILE        HG1-  6.00   (#   4243:20  Preassigned   2.46, 3.57 A)
 &rst
  ixpk= 4243, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 686, 687, 688,
 igr2= 752, 753,
 &end
#
#   0 AMB   20-2:4244   50 ILE        HG1-  5.50   (#   4244:20      Single   Ambig  )
 &rst
  ixpk= 4244, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
       901, 902,
 igr2= 752, 753,
 &end
#
#  50 ILE          HA   50 ILE        HG1-  5.50   (#   4245:20  Preassigned   2.43, 2.73 A)
 &rst
  ixpk= 4245, nxpk= 20, iat= 744,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 752, 753,
 &end
#
#  88 GLU          HN   87 ILE          HA  6.00   (#   4246:20  Preassigned   3.54, 3.60 A)
 &rst
  ixpk= 4246, nxpk= 20, iat=1371,1354, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 104 PHE          HN  103 LEU         MDX  6.00   (#   4247:20  Preassigned   2.25, 4.61 A)
 &rst
  ixpk= 4247, nxpk= 20, iat=1633,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
# 136 ARG          HA  135 ALA          MB  6.00   (#   4248:20  Preassigned   4.29, 4.86 A)
 &rst
  ixpk= 4248, nxpk= 20, iat=2149,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=2141,2142,2143,
 &end
#
#  47 PRO         HD+   47 PRO         HB-  7.00   (#   4249:20  Preassigned   2.84, 3.68 A)
 &rst
  ixpk= 4249, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 705, 706,
 igr2= 711, 712,
 &end
#
#  21 ARG          HE   60 LEU         MDY  5.50   (#   4251:20  Preassigned   2.82, 5.85 A)
 &rst
  ixpk= 4251, nxpk= 20, iat= 318,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#  59 SER          HN   60 LEU         MDY  6.00   (#   4252:20  Preassigned   4.63, 7.45 A)
 &rst
  ixpk= 4252, nxpk= 20, iat= 876,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 896, 897, 898, 900, 901, 902,
 &end
#
#  86 HIS          HA   86 HIS         HB-  5.50   (#   4254:20  Preassigned   2.38, 2.74 A)
 &rst
  ixpk= 4254, nxpk= 20, iat=1337,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1339,1340,
 &end
#
# 103 LEU         MDX  112 GLU         HG+  5.50   (#   4256:20  Preassigned   2.86, 6.32 A)
 &rst
  ixpk= 4256, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1623,1624,1625,1627,1628,1629,
 igr2=1760,1761,
 &end
#
# 103 LEU         MDY  112 GLU         HG+  5.50   (#   4257:20  Preassigned   2.86, 6.32 A)
 &rst
  ixpk= 4257, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1623,1624,1625,1627,1628,1629,
 igr2=1760,1761,
 &end
#
# 132 GLU         HG+   22 LEU         MDY  6.00   (#   4259:20  Preassigned   2.19, 4.11 A)
 &rst
  ixpk= 4259, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=2094,2095,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#  21 ARG          HN   19 ALA          HA  6.00   (#   4260:20  Preassigned   4.51, 4.61 A)
 &rst
  ixpk= 4260, nxpk= 20, iat= 305, 282, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  65 ALA          HN   41 VAL          HA  6.00   (#   4261:20  Preassigned   3.74, 4.48 A)
 &rst
  ixpk= 4261, nxpk= 20, iat= 956, 632, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 115 ASP          HN  115 ASP          HA  5.50   (#   4262:20  Preassigned   2.93, 2.98 A)
 &rst
  ixpk= 4262, nxpk= 20, iat=1801,1803, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  36 GLY         HA+    8 VAL         MGY  6.00   (#   4265:20  Preassigned   2.34, 5.36 A)
 &rst
  ixpk= 4265, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 570, 571,
 igr2= 129, 130, 131, 133, 134, 135,
 &end
#
# 105 GLY          HN  105 GLY         HA+  5.50   (#   4268:20  Preassigned   2.26, 2.58 A)
 &rst
  ixpk= 4268, nxpk= 20, iat=1653,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1655,1656,
 &end
#
#   0 AMB   20-2:4269    0 AMB   20-1:4269  5.50   (#   4269:20      Double   Ambig  )
 &rst
  ixpk= 4269, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1701,1660,
 igr2=1655,1656,1655,1656,
 &end
#
# 111 CYS          HN  105 GLY         HA+  6.00   (#   4270:20  Preassigned   2.49, 3.91 A)
 &rst
  ixpk= 4270, nxpk= 20, iat=1742,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1655,1656,
 &end
#
#   0 AMB   20-2:4271  105 GLY         HA-  7.00   (#   4271:20      Single   Ambig  )
 &rst
  ixpk= 4271, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1701,1660,
 igr2=1655,1656,
 &end
#
#  90 LEU          HN   87 ILE          HA  6.00   (#   4273:20  Preassigned   3.73, 4.14 A)
 &rst
  ixpk= 4273, nxpk= 20, iat=1410,1354, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   0 AMB   20-2:4275    6 LEU         MDY  7.00   (#   4275:20      Single   Ambig  )
 &rst
  ixpk= 4275, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
 igr1= 551, 552, 551, 552,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#  77 ASP          HN   97 MET          ME  7.00   (#   4277:20  Preassigned   4.29, 5.73 A)
 &rst
  ixpk= 4277, nxpk= 20, iat=1174,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2=1522,1523,1524,
 &end
#
# 101 VAL          HA   97 MET          ME  7.00   (#   4278:20  Preassigned   4.15, 6.31 A)
 &rst
  ixpk= 4278, nxpk= 20, iat=1583,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2=1522,1523,1524,
 &end
#
#  98 ARG          HA   97 MET          ME  7.00   (#   4279:20  Preassigned   4.26, 6.93 A)
 &rst
  ixpk= 4279, nxpk= 20, iat=1530,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2=1522,1523,1524,
 &end
#
#  97 MET         HG-   97 MET          ME  2.80   (#   4280:20  Preassigned   2.54, 3.64 A)
 &rst
  ixpk= 4280, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1518,1519,
 igr2=1522,1523,1524,
 &end
#
#  73 CYS         HB+   97 MET          ME  5.50   (#   4281:20  Preassigned   2.25, 5.32 A)
 &rst
  ixpk= 4281, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1108,1109,
 igr2=1522,1523,1524,
 &end
#
#   0 AMB   20-2:4282   97 MET          ME  4.00   (#   4282:20      Single   Ambig  )
 &rst
  ixpk= 4282, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1572,1573,1572,1573,
 igr2=1522,1523,1524,
 &end
#
#  78 LEU         MDY  102 MET          ME  5.50   (#   4283:20  Preassigned   2.12, 4.10 A)
 &rst
  ixpk= 4283, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1195,1196,1197,1199,1200,1201,
 igr2=1608,1609,1610,
 &end
#
#  78 LEU          HG  102 MET          ME  4.00   (#   4284:20  Preassigned   2.43, 4.73 A)
 &rst
  ixpk= 4284, nxpk= 20, iat=1193,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2=1608,1609,1610,
 &end
#
#   0 AMB   20-2:4285  102 MET          ME  4.00   (#   4285:20      Single   Ambig  )
 &rst
  ixpk= 4285, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1=1601,1602,1604,1605,
 igr2=1608,1609,1610,
 &end
#
# 102 MET         HG-  102 MET          ME  4.00   (#   4286:20  Preassigned   2.40, 3.62 A)
 &rst
  ixpk= 4286, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1604,1605,
 igr2=1608,1609,1610,
 &end
#
# 106 HIS         HB+  102 MET          ME  5.50   (#   4287:20      Unique   5.90, 7.26 A)
 &rst
  ixpk= 4287, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1664,1665,
 igr2=1608,1609,1610,
 &end
#
# 107 TRP         HE1  102 MET          ME  7.00   (#   4288:20  Preassigned   4.82, 6.45 A)
 &rst
  ixpk= 4288, nxpk= 20, iat=1687,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2=1608,1609,1610,
 &end
#
# 138 TRP         HH2  102 MET          ME  7.00   (#   4291:20  Preassigned   2.33, 3.51 A)
 &rst
  ixpk= 4291, nxpk= 20, iat=2203,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2=1608,1609,1610,
 &end
#
#  80 LEU         MDY  102 MET          ME  5.50   (#   4294:20  Preassigned   2.34, 5.48 A)
 &rst
  ixpk= 4294, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1233,1234,1235,1237,1238,1239,
 igr2=1608,1609,1610,
 &end
#
#  78 LEU         MDX  102 MET          ME  5.50   (#   4295:20  Preassigned   2.12, 4.10 A)
 &rst
  ixpk= 4295, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1195,1196,1197,1199,1200,1201,
 igr2=1608,1609,1610,
 &end
#
#  49 ALA          HN   48 THR          HA  6.00   (#   4298:20      Unique   3.56, 3.58 A)
 &rst
  ixpk= 4298, nxpk= 20, iat= 732, 720, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  52 VAL          HA   55 GLU         HG-  5.50   (#   4299:20  Preassigned   3.36, 4.67 A)
 &rst
  ixpk= 4299, nxpk= 20, iat= 774,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 815, 816,
 &end
#
#  52 VAL          HA   55 GLU         HG+  5.50   (#   4300:20  Preassigned   3.36, 4.67 A)
 &rst
  ixpk= 4300, nxpk= 20, iat= 774,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 815, 816,
 &end
#
#  25 ARG         HG+   26 TYR          HA  7.00   (#   4301:20  Preassigned   3.46, 4.95 A)
 &rst
  ixpk= 4301, nxpk= 20, iat=  -1, 410, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 391, 392,
 &end
#
#   0 AMB   20-2:4302   96 GLU          HA  5.50   (#   4302:20      Single   Ambig  )
 &rst
  ixpk= 4302, nxpk= 20, iat=  -1,1498, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1500,1501,1503,1504,
 &end
#
#  65 ALA          MB   64 CYS          HA  5.50   (#   4303:20  Preassigned   4.38, 4.98 A)
 &rst
  ixpk= 4303, nxpk= 20, iat=  -1, 947, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 960, 961, 962,
 &end
#
#  93 MET          HN   92 GLU         HB-  5.50   (#   4307:20  Preassigned   2.50, 3.25 A)
 &rst
  ixpk= 4307, nxpk= 20, iat=1455,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1444,1445,
 &end
#
#   0 AMB   20-2:4308   66 ARG          HA  7.00   (#   4308:20      Single   Ambig  )
 &rst
  ixpk= 4308, nxpk= 20, iat=  -1, 968, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 646, 568,
 &end
#
#   0 AMB   20-2:4309  144 ALA          HA  7.00   (#   4309:20      Single   Ambig  )
 &rst
  ixpk= 4309, nxpk= 20, iat=  -1,2284, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=2314,2315,2314,2315,
 &end
#
# 145 GLU         HB+  144 ALA          HA  7.00   (#   4311:20      Unique   4.11, 5.15 A)
 &rst
  ixpk= 4311, nxpk= 20, iat=  -1,2284, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=2296,2297,
 &end
#
# 113 ILE        HG1+   82 MET          HA  6.00   (#   4317:20      Unique   3.09, 4.54 A)
 &rst
  ixpk= 4317, nxpk= 20, iat=  -1,1259, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1778,1779,
 &end
#
# 112 GLU         HB-   82 MET          HA  6.00   (#   4318:20  Preassigned   4.96, 5.98 A)
 &rst
  ixpk= 4318, nxpk= 20, iat=  -1,1259, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1757,1758,
 &end
#
#  43 LYS          HA   43 LYS         HE+  7.00   (#   4319:20  Preassigned   3.58, 5.28 A)
 &rst
  ixpk= 4319, nxpk= 20, iat= 655,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 666, 667,
 &end
#
#   0 AMB   20-2:4320   43 LYS         HE-  7.00   (#   4320:20      Single   Ambig  )
 &rst
  ixpk= 4320, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 655, 684,
 igr2= 666, 667,
 &end
#
# 106 HIS         HB-  103 LEU         HB-  6.00   (#   4322:20  Preassigned   2.47, 4.84 A)
 &rst
  ixpk= 4322, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1664,1665,
 igr2=1618,1619,
 &end
#
# 106 HIS         HB-  103 LEU         HB+  6.00   (#   4323:20  Preassigned   2.47, 4.84 A)
 &rst
  ixpk= 4323, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1664,1665,
 igr2=1618,1619,
 &end
#
#  27 HIS         HD2   26 TYR         HB-  6.00   (#   4324:20  Preassigned   2.63, 4.89 A)
 &rst
  ixpk= 4324, nxpk= 20, iat= 442,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 412, 413,
 &end
#
#  45 ALA          MB    0 AMB   20-1:4331  5.50   (#   4331:20      Single   Ambig  )
 &rst
  ixpk= 4331, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 686, 687, 688,
 igr2= 913, 914, 913, 914,
 &end
#
#  87 ILE         QG2   88 GLU         HG+  5.50   (#   4333:20  Preassigned   3.90, 6.35 A)
 &rst
  ixpk= 4333, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1358,1359,1360,
 igr2=1378,1379,
 &end
#
#  56 HIS          HA   57 GLN         HG+  7.00   (#   4334:20  Preassigned   3.29, 4.91 A)
 &rst
  ixpk= 4334, nxpk= 20, iat= 825,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 847, 848,
 &end
#
#  56 HIS          HA   57 GLN         HG-  7.00   (#   4335:20  Preassigned   3.29, 4.91 A)
 &rst
  ixpk= 4335, nxpk= 20, iat= 825,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 847, 848,
 &end
#
#  90 LEU          HA   93 MET         HB-  5.50   (#   4336:20  Preassigned   2.30, 3.36 A)
 &rst
  ixpk= 4336, nxpk= 20, iat=1412,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1459,1460,
 &end
#
# 137 GLN          HA  140 GLN         HG-  5.50   (#   4337:20      Unique   2.32, 3.94 A)
 &rst
  ixpk= 4337, nxpk= 20, iat=2173,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2229,2230,
 &end
#
#  50 ILE          HN   47 PRO         HB+  6.00   (#   4338:20  Preassigned   5.25, 5.46 A)
 &rst
  ixpk= 4338, nxpk= 20, iat= 742,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 711, 712,
 &end
#
#  27 HIS          HA   28 PRO         HB+  6.00   (#   4339:20  Preassigned   4.97, 5.43 A)
 &rst
  ixpk= 4339, nxpk= 20, iat= 431,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 453, 454,
 &end
#
# 103 LEU         HB+  106 HIS         HB-  6.00   (#   4340:20  Preassigned   2.47, 4.84 A)
 &rst
  ixpk= 4340, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1618,1619,
 igr2=1664,1665,
 &end
#
#  63 HIS         HD2   63 HIS         HB-  7.00   (#   4341:20  Preassigned   2.60, 3.32 A)
 &rst
  ixpk= 4341, nxpk= 20, iat= 941,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 932, 933,
 &end
#
#  63 HIS         HD1   63 HIS         HB-  7.00   (#   4342:20  Preassigned   2.59, 3.22 A)
 &rst
  ixpk= 4342, nxpk= 20, iat= 936,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 932, 933,
 &end
#
#  39 ALA          MB   67 GLN         HG+  5.50   (#   4344:20  Preassigned   2.46, 5.30 A)
 &rst
  ixpk= 4344, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 605, 606, 607,
 igr2= 997, 998,
 &end
#
#  20 GLU          HA   20 GLU         HB+  5.50   (#   4345:20  Preassigned   2.29, 2.49 A)
 &rst
  ixpk= 4345, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 294, 295,
 &end
#
#  87 ILE          HB   87 ILE        HG1-  7.00   (#   4348:20  Preassigned   2.37, 2.46 A)
 &rst
  ixpk= 4348, nxpk= 20, iat=1356,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1362,1363,
 &end
#
#  85 ARG         HD-   85 ARG         HB+  5.50   (#   4349:20  Preassigned   2.25, 3.15 A)
 &rst
  ixpk= 4349, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1321,1322,
 igr2=1315,1316,
 &end
#
#  85 ARG         HD+   85 ARG         HB+  5.50   (#   4350:20  Preassigned   2.25, 3.15 A)
 &rst
  ixpk= 4350, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1321,1322,
 igr2=1315,1316,
 &end
#
#  85 ARG         HD+   85 ARG         HB-  5.50   (#   4351:20  Preassigned   2.25, 3.15 A)
 &rst
  ixpk= 4351, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1321,1322,
 igr2=1315,1316,
 &end
#
#   0 AMB   20-2:4352    0 AMB   20-1:4352  4.00   (#   4352:20      Double   Ambig  )
 &rst
  ixpk= 4352, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
 igr1=1321,1322,1915,1916,
 igr2=1315,1316,1909,1910,
 &end
#
#  85 ARG          HA   85 ARG         HG-  5.50   (#   4353:20  Preassigned   2.52, 3.30 A)
 &rst
  ixpk= 4353, nxpk= 20, iat=1313,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1318,1319,
 &end
#
# 111 CYS          HN    0 AMB   20-1:4354  7.00   (#   4354:20      Single   Ambig  )
 &rst
  ixpk= 4354, nxpk= 20, iat=1742,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr2=1731,1732,1731,1732,
 &end
#
# 116 PRO          HA  119 LYS         HG-  7.00   (#   4356:20  Preassigned   2.23, 4.28 A)
 &rst
  ixpk= 4356, nxpk= 20, iat=1823,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1879,1880,
 &end
#
#  80 LEU          HA   78 LEU         MDX  6.00   (#   4357:20  Preassigned   4.39, 6.50 A)
 &rst
  ixpk= 4357, nxpk= 20, iat=1226,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#   5 ILE          HA   78 LEU         MDX  6.00   (#   4358:20  Preassigned   3.64, 5.77 A)
 &rst
  ixpk= 4358, nxpk= 20, iat=  71,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
#  32 VAL          HN   31 LYS         HG-  7.00   (#   4359:20  Preassigned   2.40, 3.83 A)
 &rst
  ixpk= 4359, nxpk= 20, iat= 516,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 501, 502,
 &end
#
#  31 LYS          HN   31 LYS         HG-  7.00   (#   4360:20  Preassigned   2.21, 3.87 A)
 &rst
  ixpk= 4360, nxpk= 20, iat= 494,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 501, 502,
 &end
#
# 102 MET         HG-   78 LEU         MDX  6.00   (#   4361:20  Preassigned   2.52, 5.87 A)
 &rst
  ixpk= 4361, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1604,1605,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
# 102 MET          ME   78 LEU         MDX  7.00   (#   4362:20  Preassigned   2.12, 4.10 A)
 &rst
  ixpk= 4362, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
 igr1=1608,1609,1610,
 igr2=1195,1196,1197,1199,1200,1201,
 &end
#
# 104 PHE          HZ   23 LEU         MDY  5.50   (#   4363:20  Preassigned   2.19, 4.02 A)
 &rst
  ixpk= 4363, nxpk= 20, iat=1645,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 357, 358, 359, 361, 362, 363,
 &end
#
# 104 PHE          HN   80 LEU         MDY  6.00   (#   4364:20  Preassigned   4.50, 6.60 A)
 &rst
  ixpk= 4364, nxpk= 20, iat=1633,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
#  58 LEU         MDX   58 LEU          HG  4.00   (#   4365:20  Preassigned   2.33, 2.65 A)
 &rst
  ixpk= 4365, nxpk= 20, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
#  58 LEU         HB+   58 LEU          HG  5.50   (#   4366:20  Preassigned   2.18, 2.67 A)
 &rst
  ixpk= 4366, nxpk= 20, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 861, 862,
 &end
#
#  58 LEU         MDY   58 LEU          HG  4.00   (#   4367:20  Preassigned   2.33, 2.65 A)
 &rst
  ixpk= 4367, nxpk= 20, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
#  60 LEU         MDY   58 LEU          HG  6.00   (#   4368:20  Preassigned   3.14, 6.43 A)
 &rst
  ixpk= 4368, nxpk= 20, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 896, 897, 898, 900, 901, 902,
 &end
#
# 122 GLU         HG+  123 THR         MG2  6.00   (#   4371:20      Unique   5.15, 7.51 A)
 &rst
  ixpk= 4371, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1936,1937,
 igr2=1950,1951,1952,
 &end
#
# 138 TRP         HZ2  141 ALA          MB  7.00   (#   4372:20  Preassigned   6.14, 7.07 A)
 &rst
  ixpk= 4372, nxpk= 20, iat=2201,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2=2243,2244,2245,
 &end
#
#  22 LEU          HG   18 THR          HA  6.00   (#   4376:20  Preassigned   3.49, 4.07 A)
 &rst
  ixpk= 4376, nxpk= 20, iat= 336, 268, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
# 126 ALA          MB  127 VAL          HA  6.00   (#   4379:20  Preassigned   4.35, 4.86 A)
 &rst
  ixpk= 4379, nxpk= 20, iat=  -1,2000, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=1992,1993,1994,
 &end
#
#   7 VAL         MGY   16 SER         HB-  6.00   (#   4380:20  Preassigned   2.14, 5.06 A)
 &rst
  ixpk= 4380, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 113, 114, 115, 117, 118, 119,
 igr2= 245, 246,
 &end
#
# 104 PHE          HA  104 PHE         HB+  5.50   (#   4381:20  Preassigned   2.56, 2.83 A)
 &rst
  ixpk= 4381, nxpk= 20, iat=1635,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1637,1638,
 &end
#
# 104 PHE          HA  104 PHE         HB-  5.50   (#   4382:20  Preassigned   2.56, 2.83 A)
 &rst
  ixpk= 4382, nxpk= 20, iat=1635,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1637,1638,
 &end
#
# 113 ILE         QD1  104 PHE         HB+  5.50   (#   4383:20  Preassigned   2.17, 3.37 A)
 &rst
  ixpk= 4383, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1781,1782,1783,
 igr2=1637,1638,
 &end
#
#  82 MET          ME  104 PHE         HB+  7.00   (#   4384:20  Preassigned   2.78, 4.61 A)
 &rst
  ixpk= 4384, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1268,1269,1270,
 igr2=1637,1638,
 &end
#
# 107 TRP         HD1  107 TRP         HB-  5.50   (#   4385:20  Preassigned   2.50, 3.11 A)
 &rst
  ixpk= 4385, nxpk= 20, iat=1685,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1681,1682,
 &end
#
# 105 GLY         HA+  111 CYS         HB+  5.50   (#   4386:20  Preassigned   2.18, 5.07 A)
 &rst
  ixpk= 4386, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1655,1656,
 igr2=1746,1747,
 &end
#
# 107 TRP          HA  107 TRP         HB-  5.50   (#   4388:20  Preassigned   2.31, 2.72 A)
 &rst
  ixpk= 4388, nxpk= 20, iat=1679,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1681,1682,
 &end
#
# 107 TRP          HN  107 TRP         HB+  7.00   (#   4389:20  Preassigned   2.37, 3.10 A)
 &rst
  ixpk= 4389, nxpk= 20, iat=1677,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1681,1682,
 &end
#
# 107 TRP          HN  107 TRP         HB-  7.00   (#   4390:20  Preassigned   2.37, 3.10 A)
 &rst
  ixpk= 4390, nxpk= 20, iat=1677,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1681,1682,
 &end
#
# 138 TRP          HA  138 TRP         HB+  5.50   (#   4391:20  Preassigned   2.55, 2.83 A)
 &rst
  ixpk= 4391, nxpk= 20, iat=2190,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2192,2193,
 &end
#
# 135 ALA          HA  138 TRP         HB+  6.00   (#   4392:20  Preassigned   2.54, 3.52 A)
 &rst
  ixpk= 4392, nxpk= 20, iat=2139,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=2192,2193,
 &end
#
# 142 LEU         MDX  138 TRP         HB+  6.00   (#   4394:20  Preassigned   3.41, 6.12 A)
 &rst
  ixpk= 4394, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=2258,2259,2260,2262,2263,2264,
 igr2=2192,2193,
 &end
#
# 142 LEU         MDX  138 TRP         HB-  5.50   (#   4395:20  Preassigned   3.41, 6.12 A)
 &rst
  ixpk= 4395, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2258,2259,2260,2262,2263,2264,
 igr2=2192,2193,
 &end
#
# 141 ALA          HN  138 TRP         HB-  6.00   (#   4396:20  Preassigned   4.97, 5.32 A)
 &rst
  ixpk= 4396, nxpk= 20, iat=2239,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=2192,2193,
 &end
#
# 113 ILE          HN  112 GLU         HG+  7.00   (#   4397:20  Preassigned   2.90, 4.50 A)
 &rst
  ixpk= 4397, nxpk= 20, iat=1768,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1760,1761,
 &end
#
#  52 VAL          HN   54 ALA          MB  6.00   (#   4398:20  Preassigned   5.12, 6.32 A)
 &rst
  ixpk= 4398, nxpk= 20, iat= 772,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 802, 803, 804,
 &end
#
#  60 LEU          HN   54 ALA          MB  6.00   (#   4399:20  Preassigned   3.66, 5.54 A)
 &rst
  ixpk= 4399, nxpk= 20, iat= 887,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 802, 803, 804,
 &end
#
#  21 ARG          HN   21 ARG         HD+  7.00   (#   4400:20  Preassigned   3.23, 4.18 A)
 &rst
  ixpk= 4400, nxpk= 20, iat= 305,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 315, 316,
 &end
#
#  83 GLU          HA   83 GLU         HB-  7.00   (#   4403:20  Preassigned   2.35, 2.69 A)
 &rst
  ixpk= 4403, nxpk= 20, iat=1276,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1278,1279,
 &end
#
# 124 PHE          HA  124 PHE         HB-  5.50   (#   4404:20  Preassigned   2.61, 2.84 A)
 &rst
  ixpk= 4404, nxpk= 20, iat=1960,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1962,1963,
 &end
#
# 138 TRP         HE3  141 ALA          MB  7.00   (#   4410:20      Unique   2.23, 3.43 A)
 &rst
  ixpk= 4410, nxpk= 20, iat=2207,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2=2243,2244,2245,
 &end
#
#   0 AMB   20-2:4411  141 ALA          MB  5.50   (#   4411:20      Single   Ambig  )
 &rst
  ixpk= 4411, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2268,2171,
 igr2=2243,2244,2245,
 &end
#
#  30 LEU         MDX    0 AMB   20-1:4414  7.00   (#   4414:20      Single   Ambig  )
 &rst
  ixpk= 4414, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
 igr1= 484, 485, 486, 488, 489, 490,
 igr2=  45,  46,  45,  46,
 &end
#
#  80 LEU         MDY    5 ILE         QD1  6.00   (#   4415:20  Preassigned   3.80, 7.47 A)
 &rst
  ixpk= 4415, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
 igr1=1233,1234,1235,1237,1238,1239,
 igr2=  82,  83,  84,
 &end
#
#  30 LEU         MDY   27 HIS         HB-  6.00   (#   4416:20  Preassigned   2.34, 4.98 A)
 &rst
  ixpk= 4416, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 484, 485, 486, 488, 489, 490,
 igr2= 433, 434,
 &end
#
#   6 LEU         MDX   68 ILE        HG1-  6.00   (#   4417:20  Preassigned   3.15, 6.11 A)
 &rst
  ixpk= 4417, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2=1017,1018,
 &end
#
#   6 LEU         MDX   68 ILE        HG1+  6.00   (#   4418:20  Preassigned   3.15, 6.11 A)
 &rst
  ixpk= 4418, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2=1017,1018,
 &end
#
#  21 ARG          HN   58 LEU         MDX  6.00   (#   4420:20  Preassigned   3.82, 5.78 A)
 &rst
  ixpk= 4420, nxpk= 20, iat= 305,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#  56 HIS         HB+   53 ALA          HA  6.00   (#   4421:20  Preassigned   2.35, 3.64 A)
 &rst
  ixpk= 4421, nxpk= 20, iat=  -1, 790, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 827, 828,
 &end
#
#  56 HIS         HB-   53 ALA          HA  6.00   (#   4422:20  Preassigned   2.35, 3.64 A)
 &rst
  ixpk= 4422, nxpk= 20, iat=  -1, 790, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 827, 828,
 &end
#
#  76 TYR          HD    6 LEU         MDX  7.00   (#   4424:20  Preassigned   2.31, 4.68 A)
 &rst
  ixpk= 4424, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1161,1170,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
#  67 GLN        HE2+   39 ALA          MB  6.00   (#   4426:20  Preassigned   5.07, 6.51 A)
 &rst
  ixpk= 4426, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1002,1003,
 igr2= 605, 606, 607,
 &end
#
# 119 LYS         HE+  116 PRO          HA  6.00   (#   4428:20  Preassigned   2.43, 4.61 A)
 &rst
  ixpk= 4428, nxpk= 20, iat=  -1,1823, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1885,1886,
 &end
#
# 117 TYR          HN  116 PRO          HA  6.00   (#   4430:20  Preassigned   2.19, 3.41 A)
 &rst
  ixpk= 4430, nxpk= 20, iat=1827,1823, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  78 LEU         MDY  100 LYS         HB+  6.00   (#   4432:20  Preassigned   2.48, 6.24 A)
 &rst
  ixpk= 4432, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1195,1196,1197,1199,1200,1201,
 igr2=1563,1564,
 &end
#
#  78 LEU         MDY  100 LYS         HB+  6.00   (#   4433:20  Preassigned   2.48, 6.24 A)
 &rst
  ixpk= 4433, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1195,1196,1197,1199,1200,1201,
 igr2=1563,1564,
 &end
#
#  84 LYS          HN   84 LYS         HE+  7.00   (#   4436:20  Preassigned   2.92, 4.83 A)
 &rst
  ixpk= 4436, nxpk= 20, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1302,1303,
 &end
#
#   7 VAL          HA    8 VAL          HB  7.00   (#   4437:20  Preassigned   4.40, 4.66 A)
 &rst
  ixpk= 4437, nxpk= 20, iat= 109, 127, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  64 CYS          HN   64 CYS         HB-  7.00   (#   4440:20      Unique   2.75, 3.33 A)
 &rst
  ixpk= 4440, nxpk= 20, iat= 945,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 949, 950,
 &end
#
# 109 ASN         HB-  110 GLU         HG+  6.00   (#   4445:20      Unique   4.97, 7.38 A)
 &rst
  ixpk= 4445, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1717,1718,
 igr2=1734,1735,
 &end
#
# 111 CYS         HB+  110 GLU         HG-  6.00   (#   4446:20      Unique   6.16, 7.55 A)
 &rst
  ixpk= 4446, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1746,1747,
 igr2=1734,1735,
 &end
#
# 118 ARG          HA  118 ARG         HG+  5.50   (#   4447:20      Unique   2.46, 3.14 A)
 &rst
  ixpk= 4447, nxpk= 20, iat=1850,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1855,1856,
 &end
#
#   0 AMB   20-2:4449  127 VAL         MGY  5.50   (#   4449:20      Single   Ambig  )
 &rst
  ixpk= 4449, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1960,1788,1789,
 igr2=2004,2005,2006,2008,2009,2010,
 &end
********************************************************************
loop retrtains
********************************************************************
#
#  12 ASN          QB   36 GLY          QA  6   (#    6:10                 )
 &rst
  ixpk= 6, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 igr1= 177, 178,
 igr2= 570, 571,
 &end
#
#  40 LEU          HG   11 GLY          QA  5.5                           
 &rst
  ixpk= 6, nxpk= 10, iat= 618,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 168, 169,
 &end
#
#  40 LEU          QD   11 GLY          QA  5.5                           
 &rst
  ixpk= 6, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 620, 621, 622, 624, 625, 626,
 igr2= 168, 169,
 &end
#
#  13 ILE          HB   46 ASP-          QB  6.0                           
 &rst
  ixpk= 6, nxpk= 10, iat= 191,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 696, 697,
 &end
#
#  12 ASN          QB   39 ALA          HA  5.5                           
 &rst
  ixpk= 6, nxpk= 10, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 177, 178,
 &end
#
#  12 ASN          QB   36 GLY          HN  5.50   (#    6:10                 )
 &rst
  ixpk= 6, nxpk= 10, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 177, 178,
 &end
#
#  12 ASN          QB   36 GLY          HN  5.50   (#    8:10                 )
 &rst
  ixpk= 8, nxpk= 10, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 177, 178,
 &end
#
#  13 ILE         QG2   65 ALA          HN  5.50   (#   19:10                 )
 &rst
  ixpk= 19, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 193, 194, 195,
 &end
#
#   8 VAL          HN    9 CYS          HN  5.50   (#   247:10                 )
 &rst
  ixpk= 247, nxpk= 10, iat= 123, 139, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   8 VAL          HA    9 CYS          HN  4.00   (#   249:10                 )
 &rst
  ixpk= 249, nxpk= 10, iat= 125, 139, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  12 ASN          QB    9 CYS          HN  6.00   (#   250:10                 )
 &rst
  ixpk= 250, nxpk= 10, iat=  -1, 139, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 177, 178,
 &end
#
#   8 VAL          HB    9 CYS          HN  6.0   (#   251:10                 )
 &rst
  ixpk= 251, nxpk= 10, iat= 127, 139, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   8 VAL          QG    9 CYS          HN  4.00   (#   252:10                 )
 &rst
  ixpk= 252, nxpk= 10, iat=  -1, 139, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 129, 130, 131, 133, 134, 135,
 &end
#
#  16 SER          HN    9 CYS          HN  5.50   (#   253:10                 )
 &rst
  ixpk= 253, nxpk= 10, iat= 241, 139, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  35 ALA          HN    9 CYS          HN  5.50   (#   254:10                 )
 &rst
  ixpk= 254, nxpk= 10, iat= 558, 139, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  36 GLY          QA    9 CYS          HN  5.50   (#   256:10                 )
 &rst
  ixpk= 256, nxpk= 10, iat=  -1, 139, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 570, 571,
 &end
#
#   9 CYS          QB    9 CYS          HN  5.50   (#   258:10                 )
 &rst
  ixpk= 258, nxpk= 10, iat=  -1, 139, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 143, 144,
 &end
#
#   9 CYS          QB    9 CYS          HN  4.00   (#   259:10                 )
 &rst
  ixpk= 259, nxpk= 10, iat=  -1, 139, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 143, 144,
 &end
#
#   8 VAL          QG    9 CYS          HN  5.50   (#   260:10                 )
 &rst
  ixpk= 260, nxpk= 10, iat=  -1, 139, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 129, 130, 131, 133, 134, 135,
 &end
#
#  14 CYS          HN   15 ARG+          HN  5.50   (#   261:10                 )
 &rst
  ixpk= 261, nxpk= 10, iat= 206, 217, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  15 ARG+          QB   15 ARG+          HN  6.00   (#   262:10                 )
 &rst
  ixpk= 262, nxpk= 10, iat=  -1, 217, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 221, 222,
 &end
#
#  14 CYS          QB   15 ARG+          HN  5.50   (#   263:10                 )
 &rst
  ixpk= 263, nxpk= 10, iat=  -1, 217, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 210, 211,
 &end
#
#  15 ARG+          HA   15 ARG+          HN  5.50   (#   264:10                 )
 &rst
  ixpk= 264, nxpk= 10, iat= 219, 217, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  15 ARG+          QB   15 ARG+          HN  5.50   (#   266:10                 )
 &rst
  ixpk= 266, nxpk= 10, iat=  -1, 217, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 221, 222,
 &end
#
#  15 ARG+          QG   15 ARG+          HN  6.00   (#   286:10                 )
 &rst
  ixpk= 286, nxpk= 10, iat=  -1, 217, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 224, 225,
 &end
#
#  15 ARG+          QG   15 ARG+          HN  5.50   (#   288:10                 )
 &rst
  ixpk= 288, nxpk= 10, iat=  -1, 217, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 224, 225,
 &end
#
#   9 CYS          HN    8 VAL          HN  5.50   (#   309:10                 )
 &rst
  ixpk= 309, nxpk= 10, iat= 139, 123, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  11 GLY          QA   40 LEU          HN  5.50   (#   368:10                 )
 &rst
  ixpk= 368, nxpk= 10, iat=  -1, 611, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 168, 169,
 &end
#
#  13 ILE         QD1   40 LEU          HN  6.00   (#   378:10                 )
 &rst
  ixpk= 378, nxpk= 10, iat=  -1, 611, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 200, 201, 202,
 &end
#
#  12 ASN          QB   40 LEU          HN  5.50   (#   386:10                 )
 &rst
  ixpk= 386, nxpk= 10, iat=  -1, 611, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 177, 178,
 &end
#
#  11 GLY          QA   40 LEU          HN  5.50   (#   387:10                 )
 &rst
  ixpk= 387, nxpk= 10, iat=  -1, 611, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 168, 169,
 &end
#
#  12 ASN          QB   40 LEU          HN  6.00   (#   388:10                 )
 &rst
  ixpk= 388, nxpk= 10, iat=  -1, 611, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 177, 178,
 &end
#
#   9 CYS          HN   37 LEU          HN  5.50   (#   474:10                 )
 &rst
  ixpk= 474, nxpk= 10, iat= 139, 575, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  10 VAL          HA   37 LEU          HN  4.00   (#   477:10                 )
 &rst
  ixpk= 477, nxpk= 10, iat= 152, 575, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  10 VAL          HA   10 VAL          HN  5.50   (#   595:10                 )
 &rst
  ixpk= 595, nxpk= 10, iat= 152, 150, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  10 VAL          HB   10 VAL          HN  4.00   (#   596:10                 )
 &rst
  ixpk= 596, nxpk= 10, iat= 154, 150, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  10 VAL          QG   10 VAL          HN  5.50   (#   597:10                 )
 &rst
  ixpk= 597, nxpk= 10, iat=  -1, 150, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#  11 GLY          HN   10 VAL          HN  5.50   (#   624:10                 )
 &rst
  ixpk= 624, nxpk= 10, iat= 166, 150, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   9 CYS          HN   10 VAL          HN  5.50   (#   625:10                 )
 &rst
  ixpk= 625, nxpk= 10, iat= 139, 150, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   9 CYS          QB   10 VAL          HN  4.00   (#   626:10                 )
 &rst
  ixpk= 626, nxpk= 10, iat=  -1, 150, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 143, 144,
 &end
#
#  13 ILE         QG2   43 LYS+          HN  5.50   (#   650:10                 )
 &rst
  ixpk= 650, nxpk= 10, iat=  -1, 653, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 193, 194, 195,
 &end
#
#  13 ILE          HA   46 ASP-          HN  5.50   (#   692:10                 )
 &rst
  ixpk= 692, nxpk= 10, iat= 189, 692, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  13 ILE          HB   46 ASP-          HN  4.00   (#   696:10                 )
 &rst
  ixpk= 696, nxpk= 10, iat= 191, 692, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  13 ILE         QD1   46 ASP-          HN  5.50   (#   698:10                 )
 &rst
  ixpk= 698, nxpk= 10, iat=  -1, 692, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 200, 201, 202,
 &end
#
#  12 ASN          QB   66 ARG+          HN  5.50   (#   750:10                 )
 &rst
  ixpk= 750, nxpk= 10, iat=  -1, 966, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 177, 178,
 &end
#
#  15 ARG+          HN   16 SER          HN  5.50   (#   1428:10                 )
 &rst
  ixpk= 1428, nxpk= 10, iat= 217, 241, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  15 ARG+          QD   16 SER          HN  5.50   (#   1431:10                 )
 &rst
  ixpk= 1431, nxpk= 10, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 227, 228,
 &end
#
#  15 ARG+          QB   16 SER          HN  5.50   (#   1432:10                 )
 &rst
  ixpk= 1432, nxpk= 10, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 221, 222,
 &end
#
#  15 ARG+          QB   16 SER          HN  5.50   (#   1433:10                 )
 &rst
  ixpk= 1433, nxpk= 10, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 221, 222,
 &end
#
#  11 GLY          HN   12 ASN          HN  5.50   (#   1450:10                 )
 &rst
  ixpk= 1450, nxpk= 10, iat= 166, 173, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  36 GLY          QA   12 ASN          HN  5.50   (#   1453:10                 )
 &rst
  ixpk= 1453, nxpk= 10, iat=  -1, 173, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 570, 571,
 &end
#
#  11 GLY          QA   12 ASN          HN  5.50   (#   1455:10                 )
 &rst
  ixpk= 1455, nxpk= 10, iat=  -1, 173, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 168, 169,
 &end
#
#  12 ASN          HA   12 ASN          HN  4.00   (#   1457:10                 )
 &rst
  ixpk= 1457, nxpk= 10, iat= 175, 173, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  11 GLY          QA   12 ASN          HN  5.50   (#   1458:10                 )
 &rst
  ixpk= 1458, nxpk= 10, iat=  -1, 173, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 168, 169,
 &end
#
#  12 ASN          QB   12 ASN          HN  5.50   (#   1459:10                 )
 &rst
  ixpk= 1459, nxpk= 10, iat=  -1, 173, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 177, 178,
 &end
#
#  12 ASN          QD   12 ASN          HN  4.50   (#   1485:10                 )
 &rst
  ixpk= 1485, nxpk= 10, iat=  -1, 173, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 182, 183,
 &end
#
#  36 GLY          QA   12 ASN          HN  5.50   (#   1486:10                 )
 &rst
  ixpk= 1486, nxpk= 10, iat=  -1, 173, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 570, 571,
 &end
#
#  12 ASN          QB   12 ASN          HN  5.50   (#   1487:10                 )
 &rst
  ixpk= 1487, nxpk= 10, iat=  -1, 173, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 177, 178,
 &end
#
#  10 VAL          HA   38 GLY          HN  4.00   (#   1729:10                 )
 &rst
  ixpk= 1729, nxpk= 10, iat= 152, 594, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  10 VAL          QG   38 GLY          HN  4.00   (#   1736:10                 )
 &rst
  ixpk= 1736, nxpk= 10, iat=  -1, 594, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#  11 GLY          QA   11 GLY          HN  5.50   (#   2047:10                 )
 &rst
  ixpk= 2047, nxpk= 10, iat=  -1, 166, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 168, 169,
 &end
#
#  10 VAL          HN   11 GLY          HN  5.50   (#   2048:10                 )
 &rst
  ixpk= 2048, nxpk= 10, iat= 150, 166, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  10 VAL          QG   11 GLY          HN  5.50   (#   2049:10                 )
 &rst
  ixpk= 2049, nxpk= 10, iat=  -1, 166, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#  11 GLY          QA   11 GLY          HN  6.00   (#   2050:10                 )
 &rst
  ixpk= 2050, nxpk= 10, iat=  -1, 166, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 168, 169,
 &end
#
#  10 VAL          HB   11 GLY          HN  5.50   (#   2051:10                 )
 &rst
  ixpk= 2051, nxpk= 10, iat= 154, 166, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  12 ASN          HN   12 ASN          QD  6.00   (#   2052:10                 )
 &rst
  ixpk= 2052, nxpk= 10, iat= 173,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 182, 183,
 &end
#
#  12 ASN          QB   12 ASN          QD  5.50   (#   2054:10                 )
 &rst
  ixpk= 2054, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 177, 178,
 igr2= 182, 183,
 &end
#
#  14 CYS          HN   12 ASN          QD  5.50   (#   2057:10                 )
 &rst
  ixpk= 2057, nxpk= 10, iat= 206,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 182, 183,
 &end
#
#  12 ASN          HA   12 ASN          QD  5.50   (#   2058:10                 )
 &rst
  ixpk= 2058, nxpk= 10, iat= 175,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 182, 183,
 &end
#
#  13 ILE         QG2   44 GLY          HN  5.50   (#   2074:10                 )
 &rst
  ixpk= 2074, nxpk= 10, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 193, 194, 195,
 &end
#
#   9 CYS          HN   35 ALA          HN  6.00   (#   2088:10                 )
 &rst
  ixpk= 2088, nxpk= 10, iat= 139, 558, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  12 ASN          QD   35 ALA          HN  6.00   (#   2092:10                 )
 &rst
  ixpk= 2092, nxpk= 10, iat=  -1, 558, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 182, 183,
 &end
#
#   9 CYS          HN   16 SER          HN  6.00   (#   2123:10                 )
 &rst
  ixpk= 2123, nxpk= 10, iat= 139, 241, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  16 SER          HN   15 ARG+          HN  6.00   (#   2124:10                 )
 &rst
  ixpk= 2124, nxpk= 10, iat= 241, 217, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  12 ASN          QD   14 CYS          HN  4.00   (#   2125:10                 )
 &rst
  ixpk= 2125, nxpk= 10, iat=  -1, 206, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr1= 182, 183,
 &end
#
#  15 ARG+          HN   14 CYS          HN  5.50   (#   2126:10                 )
 &rst
  ixpk= 2126, nxpk= 10, iat= 217, 206, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  35 ALA          HN   12 ASN          QD  6.00   (#   2137:10                 )
 &rst
  ixpk= 2137, nxpk= 10, iat= 558,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 182, 183,
 &end
#
#  13 ILE          HA   14 CYS          HN  6.00   (#   2138:10                 )
 &rst
  ixpk= 2138, nxpk= 10, iat= 189, 206, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  14 CYS          QB   14 CYS          HN  5.50   (#   2139:10                 )
 &rst
  ixpk= 2139, nxpk= 10, iat=  -1, 206, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 210, 211,
 &end
#
#  13 ILE         QG1   14 CYS          HN  6.00   (#   2141:10                 )
 &rst
  ixpk= 2141, nxpk= 10, iat=  -1, 206, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 197, 198,
 &end
#
#   7 VAL          QG    9 CYS          HN  5.50   (#   2171:10                 )
 &rst
  ixpk= 2171, nxpk= 10, iat=  -1, 139, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 113, 114, 115, 117, 118, 119,
 &end
#
#  13 ILE         QD1   14 CYS          HN  6.00   (#   2198:10                 )
 &rst
  ixpk= 2198, nxpk= 10, iat=  -1, 206, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 200, 201, 202,
 &end
#
#  12 ASN          QB   12 ASN          QD  5.50   (#   2558:10                 )
 &rst
  ixpk= 2558, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 177, 178,
 igr2= 182, 183,
 &end
#
#  34 SER          HA   12 ASN          QD  6.5   (#   2559:10                 )
 &rst
  ixpk= 2559, nxpk= 10, iat= 549,  -1, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
 igr2= 182, 183,
 &end
#
#  38 GLY          HN   10 VAL          HA  5.50   (#   30:20                 )
 &rst
  ixpk= 30, nxpk= 20, iat= 594, 152, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  37 LEU          QB   10 VAL          HA  5.50   (#   31:20                 )
 &rst
  ixpk= 31, nxpk= 20, iat=  -1, 152, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 579, 580,
 &end
#
#  37 LEU          HN   10 VAL          HA  4.00   (#   32:20                 )
 &rst
  ixpk= 32, nxpk= 20, iat= 575, 152, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  37 LEU          QB   10 VAL          HA  5.50   (#   33:20                 )
 &rst
  ixpk= 33, nxpk= 20, iat=  -1, 152, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 579, 580,
 &end
#
#  10 VAL          QG   10 VAL          HA  2.80   (#   34:20                 )
 &rst
  ixpk= 34, nxpk= 20, iat=  -1, 152, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#  46 ASP-          HN   13 ILE          HA  5.50   (#   136:20                 )
 &rst
  ixpk= 136, nxpk= 20, iat= 692, 189, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  45 ALA          HA   13 ILE          HA  5.50   (#   139:20                 )
 &rst
  ixpk= 139, nxpk= 20, iat= 684, 189, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  13 ILE         QG2   13 ILE          HA  4.00   (#   140:20                 )
 &rst
  ixpk= 140, nxpk= 20, iat=  -1, 189, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 193, 194, 195,
 &end
#
#  17 PRO          QG   13 ILE          HA  6.00   (#   141:20                 )
 &rst
  ixpk= 141, nxpk= 20, iat=  -1, 189, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 256, 257,
 &end
#
#  13 ILE          HB   13 ILE          HA  4.00   (#   142:20                 )
 &rst
  ixpk= 142, nxpk= 20, iat= 191, 189, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  13 ILE         QD1   13 ILE          HA  5.50   (#   143:20                 )
 &rst
  ixpk= 143, nxpk= 20, iat=  -1, 189, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 200, 201, 202,
 &end
#
#  17 PRO          QG   13 ILE          HA  6.00   (#   144:20                 )
 &rst
  ixpk= 144, nxpk= 20, iat=  -1, 189, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 256, 257,
 &end
#
#  12 ASN          HN   12 ASN          HA  5.50   (#   505:20                 )
 &rst
  ixpk= 505, nxpk= 20, iat= 173, 175, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  12 ASN          QD   12 ASN          HA  5.50   (#   522:20                 )
 &rst
  ixpk= 522, nxpk= 20, iat=  -1, 175, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 182, 183,
 &end
#
#  12 ASN          QB   12 ASN          HA  5.50   (#   525:20                 )
 &rst
  ixpk= 525, nxpk= 20, iat=  -1, 175, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 177, 178,
 &end
#
#  11 GLY          QA   39 ALA          HA  5.50   (#   593:20                 )
 &rst
  ixpk= 593, nxpk= 20, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 168, 169,
 &end
#
#  11 GLY          QA   39 ALA          HA  5.50   (#   594:20                 )
 &rst
  ixpk= 594, nxpk= 20, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 168, 169,
 &end
#
#  13 ILE          HA   45 ALA          HA  4.00   (#   606:20                 )
 &rst
  ixpk= 606, nxpk= 20, iat= 189, 684, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  13 ILE          HB   45 ALA          HA  5.50   (#   607:20                 )
 &rst
  ixpk= 607, nxpk= 20, iat= 191, 684, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  13 ILE         QG2   45 ALA          HA  5.50   (#   609:20                 )
 &rst
  ixpk= 609, nxpk= 20, iat=  -1, 684, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 193, 194, 195,
 &end
#
#  12 ASN          QD   17 PRO          QD  5.50   (#   675:20                 )
 &rst
  ixpk= 675, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 182, 183,
 igr2= 253, 254,
 &end
#
#  10 VAL          QG   38 GLY          QA  4.00   (#   688:20                 )
 &rst
  ixpk= 688, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 156, 157, 158, 160, 161, 162,
 igr2= 596, 597,
 &end
#
#  13 ILE         QD1   46 ASP-          QB  5.50   (#   691:20                 )
 &rst
  ixpk= 691, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 200, 201, 202,
 igr2= 696, 697,
 &end
#
#  13 ILE         QD1   46 ASP-          QB  5.50   (#   695:20                 )
 &rst
  ixpk= 695, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 200, 201, 202,
 igr2= 696, 697,
 &end
#
#  10 VAL          HA   37 LEU          QB  5.50   (#   801:20                 )
 &rst
  ixpk= 801, nxpk= 20, iat= 152,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 579, 580,
 &end
#
#  10 VAL          HA   37 LEU          QB  5.50   (#   806:20                 )
 &rst
  ixpk= 806, nxpk= 20, iat= 152,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 579, 580,
 &end
#
#  10 VAL          HA   37 LEU          QB  6.00   (#   810:20                 )
 &rst
  ixpk= 810, nxpk= 20, iat= 152,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 579, 580,
 &end
#
#  46 ASP-          HN   13 ILE          HB  5.50   (#   993:20                 )
 &rst
  ixpk= 993, nxpk= 20, iat= 692, 191, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  45 ALA          HA   13 ILE          HB  5.50   (#   996:20                 )
 &rst
  ixpk= 996, nxpk= 20, iat= 684, 191, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  13 ILE          HA   13 ILE          HB  4.00   (#   997:20                 )
 &rst
  ixpk= 997, nxpk= 20, iat= 189, 191, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  45 ALA          HA   13 ILE          HB  5.50   (#   1004:20                 )
 &rst
  ixpk= 1004, nxpk= 20, iat= 684, 191, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  13 ILE         QG1   13 ILE          HB  5.50   (#   1005:20                 )
 &rst
  ixpk= 1005, nxpk= 20, iat=  -1, 191, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 197, 198,
 &end
#
#  13 ILE         QG2   13 ILE          HB  4.00   (#   1006:20                 )
 &rst
  ixpk= 1006, nxpk= 20, iat=  -1, 191, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 193, 194, 195,
 &end
#
#  13 ILE         QD1   13 ILE          HB  4.00   (#   1007:20                 )
 &rst
  ixpk= 1007, nxpk= 20, iat=  -1, 191, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr1= 200, 201, 202,
 &end
#
#  39 ALA          QB   12 ASN          QB  5.50   (#   1040:20                 )
 &rst
  ixpk= 1040, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 605, 606, 607,
 igr2= 177, 178,
 &end
#
#  65 ALA          QB   12 ASN          QB  4.00   (#   1041:20                 )
 &rst
  ixpk= 1041, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 960, 961, 962,
 igr2= 177, 178,
 &end
#
#  13 ILE         QG2   43 LYS+          QB  2.80   (#   1338:20                 )
 &rst
  ixpk= 1338, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 193, 194, 195,
 igr2= 657, 658,
 &end
#
#  10 VAL          HN   10 VAL          HB  4.00   (#   1395:20                 )
 &rst
  ixpk= 1395, nxpk= 20, iat= 150, 154, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#  13 ILE          HA   17 PRO          QG  5.50   (#   1801:20                 )
 &rst
  ixpk= 1801, nxpk= 20, iat= 189,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 256, 257,
 &end
#
#  14 CYS          HN   13 ILE         QG1  5.50   (#   1945:20                 )
 &rst
  ixpk= 1945, nxpk= 20, iat= 206,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 197, 198,
 &end
#
#  13 ILE         QD1   13 ILE         QG1  4.00   (#   1946:20                 )
 &rst
  ixpk= 1946, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 200, 201, 202,
 igr2= 197, 198,
 &end
#
#  13 ILE         QD1   13 ILE         QG1  4.00   (#   1952:20                 )
 &rst
  ixpk= 1952, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 200, 201, 202,
 igr2= 197, 198,
 &end
#
#  13 ILE          HB   13 ILE         QG1  6.00   (#   1953:20                 )
 &rst
  ixpk= 1953, nxpk= 20, iat= 191,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 197, 198,
 &end
#
#  10 VAL          HA   37 LEU          QD  5.50   (#   2176:20                 )
 &rst
  ixpk= 2176, nxpk= 20, iat= 152,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#  10 VAL          HA   37 LEU          QD  6.00   (#   2389:20                 )
 &rst
  ixpk= 2389, nxpk= 20, iat= 152,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 584, 585, 586, 588, 589, 590,
 &end
#
#  38 GLY          HN   10 VAL          QG  5.50   (#   2490:20                 )
 &rst
  ixpk= 2490, nxpk= 20, iat= 594,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#  10 VAL          HA   10 VAL          QG  5.50   (#   2494:20                 )
 &rst
  ixpk= 2494, nxpk= 20, iat= 152,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#  10 VAL          HB   10 VAL          QG  4.00   (#   2495:20                 )
 &rst
  ixpk= 2495, nxpk= 20, iat= 154,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#  10 VAL          HN   10 VAL          QG  5.50   (#   2496:20                 )
 &rst
  ixpk= 2496, nxpk= 20, iat= 150,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#  86 HIS         HD2   10 VAL          QG  5.50   (#   2497:20                 )
 &rst
  ixpk= 2497, nxpk= 20, iat=1348,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#  10 VAL          HB   10 VAL          QG  5.50   (#   2500:20                 )
 &rst
  ixpk= 2500, nxpk= 20, iat= 154,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   9 CYS          HN    8 VAL          QG  5.50   (#   2572:20                 )
 &rst
  ixpk= 2572, nxpk= 20, iat= 139,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 129, 130, 131, 133, 134, 135,
 &end
#
#  10 VAL          HN   10 VAL          QG  5.50   (#   2641:20                 )
 &rst
  ixpk= 2641, nxpk= 20, iat= 150,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#  38 GLY          HN   10 VAL          QG  5.50   (#   2642:20                 )
 &rst
  ixpk= 2642, nxpk= 20, iat= 594,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#  86 HIS         HE1   10 VAL          QG  5.50   (#   2643:20                 )
 &rst
  ixpk= 2643, nxpk= 20, iat=1345,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#  38 GLY          QA   10 VAL          QG  5.50   (#   2644:20                 )
 &rst
  ixpk= 2644, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 596, 597,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#  38 GLY          QA   10 VAL          QG  4.00   (#   2645:20                 )
 &rst
  ixpk= 2645, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
 igr1= 596, 597,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#  10 VAL          HA   10 VAL          QG  4.00   (#   2671:20                 )
 &rst
  ixpk= 2671, nxpk= 20, iat= 152,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#  11 GLY          QA   39 ALA          QB  5.50   (#   2746:20                 )
 &rst
  ixpk= 2746, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 168, 169,
 igr2= 605, 606, 607,
 &end
#
#  12 ASN          QB   39 ALA          QB  4.00   (#   2749:20                 )
 &rst
  ixpk= 2749, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 177, 178,
 igr2= 605, 606, 607,
 &end
#
#  11 GLY          QA   39 ALA          QB  5.500   (#   2763:20                 )
 &rst
  ixpk= 2763, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 168, 169,
 igr2= 605, 606, 607,
 &end
#
#  12 ASN          QB   39 ALA          QB  5.50   (#   2782:20                 )
 &rst
  ixpk= 2782, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 177, 178,
 igr2= 605, 606, 607,
 &end
#
#  40 LEU          QB   13 ILE         QG2  4.00   (#   2784:20                 )
 &rst
  ixpk= 2784, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 615, 616,
 igr2= 193, 194, 195,
 &end
#
#  12 ASN          QB   65 ALA          QB  4.00   (#   2809:20                 )
 &rst
  ixpk= 2809, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 177, 178,
 igr2= 960, 961, 962,
 &end
#
#  46 ASP-          HN   13 ILE         QG2  5.50   (#   2825:20                 )
 &rst
  ixpk= 2825, nxpk= 20, iat= 692,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 193, 194, 195,
 &end
#
#  45 ALA          HA   13 ILE         QG2  5.50   (#   2827:20                 )
 &rst
  ixpk= 2827, nxpk= 20, iat= 684,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 193, 194, 195,
 &end
#
#  13 ILE          HB   13 ILE         QG2  4.00   (#   2828:20                 )
 &rst
  ixpk= 2828, nxpk= 20, iat= 191,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 193, 194, 195,
 &end
#
#  13 ILE         QG1   13 ILE         QG2  4.00   (#   2829:20                 )
 &rst
  ixpk= 2829, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 197, 198,
 igr2= 193, 194, 195,
 &end
#
#  40 LEU          QB   13 ILE         QG2  5.50   (#   2830:20                 )
 &rst
  ixpk= 2830, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 615, 616,
 igr2= 193, 194, 195,
 &end
#
#  65 ALA          QB   13 ILE         QG2  4.00   (#   2831:20                 )
 &rst
  ixpk= 2831, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1= 960, 961, 962,
 igr2= 193, 194, 195,
 &end
#
#  13 ILE          HA   13 ILE         QG2  4.00   (#   2832:20                 )
 &rst
  ixpk= 2832, nxpk= 20, iat= 189,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 193, 194, 195,
 &end
#
#  13 ILE         QD1   13 ILE         QG2  4.00   (#   2833:20                 )
 &rst
  ixpk= 2833, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1= 200, 201, 202,
 igr2= 193, 194, 195,
 &end
#
#  13 ILE          HB   45 ALA          QB  6.00   (#   2851:20                 )
 &rst
  ixpk= 2851, nxpk= 20, iat= 191,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 686, 687, 688,
 &end
#
#  13 ILE          HA   45 ALA          QB  6.00   (#   2882:20                 )
 &rst
  ixpk= 2882, nxpk= 20, iat= 189,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 686, 687, 688,
 &end
#
# 117 TYR          QE   13 ILE         QD1  5.50   (#   3101:20                 )
 &rst
  ixpk= 3101, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1837,1842,
 igr2= 200, 201, 202,
 &end
#
#  45 ALA          HA   13 ILE         QD1  5.50   (#   3102:20                 )
 &rst
  ixpk= 3102, nxpk= 20, iat= 684,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 200, 201, 202,
 &end
#
#  40 LEU          HN   13 ILE         QD1  5.50   (#   3103:20                 )
 &rst
  ixpk= 3103, nxpk= 20, iat= 611,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 200, 201, 202,
 &end
#
# 117 TYR          QD   13 ILE         QD1  4.00   (#   3104:20                 )
 &rst
  ixpk= 3104, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1835,1844,
 igr2= 200, 201, 202,
 &end
#
#  13 ILE          HA   13 ILE         QD1  5.50   (#   3105:20                 )
 &rst
  ixpk= 3105, nxpk= 20, iat= 189,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 200, 201, 202,
 &end
#
#  11 GLY          QA   13 ILE         QD1  5.50   (#   3106:20                 )
 &rst
  ixpk= 3106, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 168, 169,
 igr2= 200, 201, 202,
 &end
#
#  46 ASP-          QB   13 ILE         QD1  5.50   (#   3108:20                 )
 &rst
  ixpk= 3108, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 696, 697,
 igr2= 200, 201, 202,
 &end
#
#  13 ILE          HB   13 ILE         QD1  4.00   (#   3109:20                 )
 &rst
  ixpk= 3109, nxpk= 20, iat= 191,  -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
 igr2= 200, 201, 202,
 &end
#
#  13 ILE         QG1   13 ILE         QD1  4.00   (#   3110:20                 )
 &rst
  ixpk= 3110, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1= 197, 198,
 igr2= 200, 201, 202,
 &end
#
#  40 LEU          QD   13 ILE         QD1  3.80   (#   3111:20                 )
 &rst
  ixpk= 3111, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.15, r4= 6.90,
 igr1= 620, 621, 622, 624, 625, 626,
 igr2= 200, 201, 202,
 &end
#
#  46 ASP-          HN   13 ILE         QD1  5.50   (#   3112:20                 )
 &rst
  ixpk= 3112, nxpk= 20, iat= 692,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 200, 201, 202,
 &end
#
#  46 ASP-          QB   13 ILE         QD1  5.50   (#   3113:20                 )
 &rst
  ixpk= 3113, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 696, 697,
 igr2= 200, 201, 202,
 &end
#
#  11 GLY          QA   13 ILE         QD1  5.50   (#   3115:20                 )
 &rst
  ixpk= 3115, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 168, 169,
 igr2= 200, 201, 202,
 &end
#
#  43 LYS+          QG   13 ILE         QD1  5.50   (#   3116:20                 )
 &rst
  ixpk= 3116, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 660, 661,
 igr2= 200, 201, 202,
 &end
#
#   9 CYS          HN    8 VAL          HA  5.50   (#   3209:20                 )
 &rst
  ixpk= 3209, nxpk= 20, iat= 139, 125, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   9 CYS          HN    8 VAL          HA  5.50   (#   3211:20                 )
 &rst
  ixpk= 3211, nxpk= 20, iat= 139, 125, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  10 VAL          HB   10 VAL          HA  6.00   (#   3350:20                 )
 &rst
  ixpk= 3350, nxpk= 20, iat= 154, 152, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  10 VAL          QG   10 VAL          HB  2.80   (#   3385:20                 )
 &rst
  ixpk= 3385, nxpk= 20, iat=  -1, 154, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#  13 ILE          HA   17 PRO          QG  5.50   (#   3459:20                 )
 &rst
  ixpk= 3459, nxpk= 20, iat= 189,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 256, 257,
 &end
#
#  12 ASN          QD   35 ALA          HA  6.00   (#   3505:20                 )
 &rst
  ixpk= 3505, nxpk= 20, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 182, 183,
 &end
#
#  39 ALA          HA   11 GLY          QA  4.00   (#   3546:20                 )
 &rst
  ixpk= 3546, nxpk= 20, iat= 603,  -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
 igr2= 168, 169,
 &end
#
#  39 ALA          QB   11 GLY          QA  6.00   (#   3548:20                 )
 &rst
  ixpk= 3548, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 605, 606, 607,
 igr2= 168, 169,
 &end
#
#  40 LEU          HN   11 GLY          QA  6.00   (#   3583:20                 )
 &rst
  ixpk= 3583, nxpk= 20, iat= 611,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 168, 169,
 &end
#
#  12 ASN          QD   17 PRO          QD  6.00   (#   3606:20                 )
 &rst
  ixpk= 3606, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 182, 183,
 igr2= 253, 254,
 &end
#
#  36 GLY          HN   12 ASN          QB  6.00   (#   3624:20                 )
 &rst
  ixpk= 3624, nxpk= 20, iat= 568,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 177, 178,
 &end
#
# 117 TYR          QD   13 ILE         QG1  5.50   (#   3844:20                 )
 &rst
  ixpk= 3844, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1835,1844,
 igr2= 197, 198,
 &end
#
#   9 CYS          HN    8 VAL          QG  5.50   (#   3878:20                 )
 &rst
  ixpk= 3878, nxpk= 20, iat= 139,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 129, 130, 131, 133, 134, 135,
 &end
#
#   9 CYS          HN    7 VAL          QG  6.00   (#   3892:20                 )
 &rst
  ixpk= 3892, nxpk= 20, iat= 139,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 113, 114, 115, 117, 118, 119,
 &end
#
#  10 VAL          HN    9 CYS          QB  6.00   (#   3905:20                 )
 &rst
  ixpk= 3905, nxpk= 20, iat= 150,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 143, 144,
 &end
#
#  10 VAL          HN    9 CYS          QB  6.00   (#   3915:20                 )
 &rst
  ixpk= 3915, nxpk= 20, iat= 150,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 143, 144,
 &end
#
#  10 VAL          QG   38 GLY          QA  5.50   (#   3996:20                 )
 &rst
  ixpk= 3996, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 156, 157, 158, 160, 161, 162,
 igr2= 596, 597,
 &end
#
#  39 ALA          HA   11 GLY          QA  5.50   (#   4000:20                 )
 &rst
  ixpk= 4000, nxpk= 20, iat= 603,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 168, 169,
 &end
#
#  13 ILE         QD1   11 GLY          QA  6.00   (#   4002:20                 )
 &rst
  ixpk= 4002, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 200, 201, 202,
 igr2= 168, 169,
 &end
#
#  13 ILE         QG2   46 ASP-          QB  6.00   (#   4084:20                 )
 &rst
  ixpk= 4084, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 193, 194, 195,
 igr2= 696, 697,
 &end
#
#  12 ASN          QB   65 ALA          HA  5.50   (#   4255:20                 )
 &rst
  ixpk= 4255, nxpk= 20, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 177, 178,
 &end
#
#  36 GLY          HN   12 ASN          QB  5.0   (#   4266:20                 )
 &rst
  ixpk= 4266, nxpk= 20, iat= 568,  -1, r1= 0.00, r2= 1.80, r3= 5.61, r4= 6.36,
 igr2= 177, 178,
 &end
#
#  66 ARG+          HN   12 ASN          QB  6.00   (#   4267:20                 )
 &rst
  ixpk= 4267, nxpk= 20, iat= 966,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 177, 178,
 &end
#
#  14 CYS          HN   13 ILE         QD1  6.00   (#   4274:20                 )
 &rst
  ixpk= 4274, nxpk= 20, iat= 206,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 200, 201, 202,
 &end
#
#  10 VAL          HA   10 VAL          HB  5.50   (#   4297:20                 )
 &rst
  ixpk= 4297, nxpk= 20, iat= 152, 154, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   9 CYS          HN   36 GLY          QA  6.00   (#   4306:20                 )
 &rst
  ixpk= 4306, nxpk= 20, iat= 139,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 570, 571,
 &end
#
#  65 ALA          HN   13 ILE         QG2  6.00   (#   4413:20                 )
 &rst
  ixpk= 4413, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 193, 194, 195,
 &end
#
#  13 ILE         QG2   65 ALA          QB  2.80   (#   4427:20                 )
 &rst
  ixpk= 4427, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 193, 194, 195,
 igr2= 960, 961, 962,
 &end
#
#  11 GLY          HN   10 VAL          QG  6.00   (#   4439:20                 )
 &rst
  ixpk= 4439, nxpk= 20, iat= 166,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
********************************************************************
Talos
********************************************************************
# 2339 atoms read from pdb file prout.
# 4 ASN PHI:  (3 ASN C)-(4 ASN N)-(4 ASN CA)-(4 ASN C) -165.0 -65.0
 &rst     iat =    52,    54,    56,    66,
   r1 = -166.0, r2 = -165.0, r3 = -65.0, r4 = -64.0,
   rk2 =  50.0, rk3 =  50.0,    &end

# 4 ASN PSI:  (4 ASN N)-(4 ASN CA)-(4 ASN C)-(5 ILE N) 106.0 170.0
 &rst     iat =    54,    56,    66,    68,
   r1 = 105.0, r2 = 106.0, r3 = 170.0, r4 = 171.0,
 &end

# 5 ILE PHI:  (4 ASN C)-(5 ILE N)-(5 ILE CA)-(5 ILE C) -149.0 -89.0
 &rst     iat =    66,    68,    70,    85,
   r1 = -150.0, r2 = -149.0, r3 = -89.0, r4 = -88.0,
 &end

# 5 ILE PSI:  (5 ILE N)-(5 ILE CA)-(5 ILE C)-(6 LEU N)  99.0 159.0
 &rst     iat =    68,    70,    85,    87,
   r1 =  98.0, r2 =  99.0, r3 = 159.0, r4 = 160.0,
 &end

# 6 LEU PHI:  (5 ILE C)-(6 LEU N)-(6 LEU CA)-(6 LEU C) -144.0 -84.0
 &rst     iat =    85,    87,    89,   104,
   r1 = -145.0, r2 = -144.0, r3 = -84.0, r4 = -83.0,
 &end

# 6 LEU PSI:  (6 LEU N)-(6 LEU CA)-(6 LEU C)-(7 VAL N) 101.0 161.0
 &rst     iat =    87,    89,   104,   106,
   r1 = 100.0, r2 = 101.0, r3 = 161.0, r4 = 162.0,
 &end

# 7 VAL PHI:  (6 LEU C)-(7 VAL N)-(7 VAL CA)-(7 VAL C) -143.8 -83.8
 &rst     iat =   104,   106,   108,   120,
   r1 = -144.8, r2 = -143.8, r3 = -83.8, r4 = -82.8,
 &end

# 7 VAL PSI:  (7 VAL N)-(7 VAL CA)-(7 VAL C)-(8 VAL N)  94.2 154.2
 &rst     iat =   106,   108,   120,   122,
   r1 =  93.2, r2 =  94.2, r3 = 154.2, r4 = 155.2,
 &end

# 8 VAL PHI:  (7 VAL C)-(8 VAL N)-(8 VAL CA)-(8 VAL C) -150.0 -90.0
 &rst     iat =   120,   122,   124,   136,
   r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
 &end

# 8 VAL PSI:  (8 VAL N)-(8 VAL CA)-(8 VAL C)-(9 CYS N) 107.0 167.0
 &rst     iat =   122,   124,   136,   138,
   r1 = 106.0, r2 = 107.0, r3 = 167.0, r4 = 168.0,
 &end

# 9 CYS PHI:  (8 VAL C)-(9 CYS N)-(9 CYS CA)-(9 CYS C) -152.0 -72.0
 &rst     iat =   136,   138,   140,   147,
   r1 = -153.0, r2 = -152.0, r3 = -72.0, r4 = -71.0,
 &end

# 9 CYS PSI:  (9 CYS N)-(9 CYS CA)-(9 CYS C)-(10 VAL N) 117.0 177.0
 &rst     iat =   138,   140,   147,   149,
   r1 = 116.0, r2 = 117.0, r3 = 177.0, r4 = 178.0,
 &end

# 9 CYS PSI:  (9 CYS N)-(9 CYS CA)-(9 CYS C)-(10 VAL N) 117.0 177.0
 &rst     iat =   138,   140,   147,   149,
   r1 = 116.0, r2 = 117.0, r3 = 177.0, r4 = 178.0,
 &end

# 9 CYS PSI:  (9 CYS N)-(9 CYS CA)-(9 CYS C)-(10 VAL N) 117.0 177.0
 &rst     iat =   138,   140,   147,   149,
   r1 = 116.0, r2 = 117.0, r3 = 177.0, r4 = 178.0,
 &end

# 9 CYS PSI:  (9 CYS N)-(9 CYS CA)-(9 CYS C)-(10 VAL N) 117.0 177.0
 &rst     iat =   138,   140,   147,   149,
   r1 = 116.0, r2 = 117.0, r3 = 177.0, r4 = 178.0,
 &end

# 9 CYS PSI:  (9 CYS N)-(9 CYS CA)-(9 CYS C)-(10 VAL N) 117.0 177.0
 &rst     iat =   138,   140,   147,   149,
   r1 = 116.0, r2 = 117.0, r3 = 177.0, r4 = 178.0,
 &end

# 15 ARG PHI:  (14 CYS C)-(15 ARG N)-(15 ARG CA)-(15 ARG C) -93.0 -33.0
 &rst     iat =   214,   216,   218,   238,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end

# 15 ARG PSI:  (15 ARG N)-(15 ARG CA)-(15 ARG C)-(16 SER N) -73.0 -13.0
 &rst     iat =   216,   218,   238,   240,
   r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
 &end

# 16 SER PHI:  (15 ARG C)-(16 SER N)-(16 SER CA)-(16 SER C) -96.0 -36.0
 &rst     iat =   238,   240,   242,   249,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end

# 16 SER PSI:  (16 SER N)-(16 SER CA)-(16 SER C)-(17 PRO N) -73.0 -13.0
 &rst     iat =   240,   242,   249,   251,
   r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
 &end

# 18 THR PHI:  (17 PRO C)-(18 THR N)-(18 THR CA)-(18 THR C) -96.1 -36.1
 &rst     iat =   263,   265,   267,   277,
   r1 = -97.1, r2 = -96.1, r3 = -36.1, r4 = -35.1,
 &end

# 18 THR PSI:  (18 THR N)-(18 THR CA)-(18 THR C)-(19 ALA N) -72.9 -12.9
 &rst     iat =   265,   267,   277,   279,
   r1 = -73.9, r2 = -72.9, r3 = -12.9, r4 = -11.9,
 &end

# 19 ALA PHI:  (18 THR C)-(19 ALA N)-(19 ALA CA)-(19 ALA C) -93.9 -33.9
 &rst     iat =   277,   279,   281,   287,
   r1 = -94.9, r2 = -93.9, r3 = -33.9, r4 = -32.9,
 &end

# 19 ALA PSI:  (19 ALA N)-(19 ALA CA)-(19 ALA C)-(20 GLU N) -70.7 -10.7
 &rst     iat =   279,   281,   287,   289,
   r1 = -71.7, r2 = -70.7, r3 = -10.7, r4 =  -9.7,
 &end

# 20 GLU PHI:  (19 ALA C)-(20 GLU N)-(20 GLU CA)-(20 GLU C) -91.5 -31.5
 &rst     iat =   287,   289,   291,   302,
   r1 = -92.5, r2 = -91.5, r3 = -31.5, r4 = -30.5,
 &end

# 20 GLU PSI:  (20 GLU N)-(20 GLU CA)-(20 GLU C)-(21 ARG N) -74.6 -14.6
 &rst     iat =   289,   291,   302,   304,
   r1 = -75.6, r2 = -74.6, r3 = -14.6, r4 = -13.6,
 &end

# 21 ARG PHI:  (20 GLU C)-(21 ARG N)-(21 ARG CA)-(21 ARG C) -92.8 -32.8
 &rst     iat =   302,   304,   306,   326,
   r1 = -93.8, r2 = -92.8, r3 = -32.8, r4 = -31.8,
 &end

# 21 ARG PSI:  (21 ARG N)-(21 ARG CA)-(21 ARG C)-(22 LEU N) -67.2  -7.2
 &rst     iat =   304,   306,   326,   328,
   r1 = -68.2, r2 = -67.2, r3 =  -7.2, r4 =  -6.2,
 &end

# 22 LEU PHI:  (21 ARG C)-(22 LEU N)-(22 LEU CA)-(22 LEU C) -93.8 -33.8
 &rst     iat =   326,   328,   330,   345,
   r1 = -94.8, r2 = -93.8, r3 = -33.8, r4 = -32.8,
 &end

# 22 LEU PSI:  (22 LEU N)-(22 LEU CA)-(22 LEU C)-(23 LEU N) -71.2 -11.2
 &rst     iat =   328,   330,   345,   347,
   r1 = -72.2, r2 = -71.2, r3 = -11.2, r4 = -10.2,
 &end

# 23 LEU PHI:  (22 LEU C)-(23 LEU N)-(23 LEU CA)-(23 LEU C) -91.4 -31.4
 &rst     iat =   345,   347,   349,   364,
   r1 = -92.4, r2 = -91.4, r3 = -31.4, r4 = -30.4,
 &end

# 23 LEU PSI:  (23 LEU N)-(23 LEU CA)-(23 LEU C)-(24 GLN N) -69.6  -9.6
 &rst     iat =   347,   349,   364,   366,
   r1 = -70.6, r2 = -69.6, r3 =  -9.6, r4 =  -8.6,
 &end

# 24 GLN PHI:  (23 LEU C)-(24 GLN N)-(24 GLN CA)-(24 GLN C) -93.6 -33.6
 &rst     iat =   364,   366,   368,   381,
   r1 = -94.6, r2 = -93.6, r3 = -33.6, r4 = -32.6,
 &end

# 24 GLN PSI:  (24 GLN N)-(24 GLN CA)-(24 GLN C)-(25 ARG N) -73.9 -13.9
 &rst     iat =   366,   368,   381,   383,
   r1 = -74.9, r2 = -73.9, r3 = -13.9, r4 = -12.9,
 &end

# 25 ARG PHI:  (24 GLN C)-(25 ARG N)-(25 ARG CA)-(25 ARG C) -99.0 -39.0
 &rst     iat =   381,   383,   385,   405,
   r1 = -100.0, r2 = -99.0, r3 = -39.0, r4 = -38.0,
 &end

# 25 ARG PSI:  (25 ARG N)-(25 ARG CA)-(25 ARG C)-(26 TYR N) -63.0  -3.0
 &rst     iat =   383,   385,   405,   407,
   r1 = -64.0, r2 = -63.0, r3 =  -3.0, r4 =  -2.0,
 &end

# 26 TYR PHI:  (25 ARG C)-(26 TYR N)-(26 TYR CA)-(26 TYR C) -115.0 -55.0
 &rst     iat =   405,   407,   409,   426,
   r1 = -116.0, r2 = -115.0, r3 = -55.0, r4 = -54.0,
 &end

# 26 TYR PSI:  (26 TYR N)-(26 TYR CA)-(26 TYR C)-(27 HIS N) -47.0  13.0
 &rst     iat =   407,   409,   426,   428,
   r1 = -48.0, r2 = -47.0, r3 =  13.0, r4 =  14.0,
 &end

# 31 LYS PHI:  (30 LEU C)-(31 LYS N)-(31 LYS CA)-(31 LYS C) -140.0 -80.0
 &rst     iat =   491,   493,   495,   513,
   r1 = -141.0, r2 = -140.0, r3 = -80.0, r4 = -79.0,
 &end

# 31 LYS PSI:  (31 LYS N)-(31 LYS CA)-(31 LYS C)-(32 VAL N)  82.0 142.0
 &rst     iat =   493,   495,   513,   515,
   r1 =  81.0, r2 =  82.0, r3 = 142.0, r4 = 143.0,
 &end

# 32 VAL PHI:  (31 LYS C)-(32 VAL N)-(32 VAL CA)-(32 VAL C) -144.0 -84.0
 &rst     iat =   513,   515,   517,   529,
   r1 = -145.0, r2 = -144.0, r3 = -84.0, r4 = -83.0,
 &end

# 32 VAL PSI:  (32 VAL N)-(32 VAL CA)-(32 VAL C)-(33 GLU N) 102.0 162.0
 &rst     iat =   515,   517,   529,   531,
   r1 = 101.0, r2 = 102.0, r3 = 162.0, r4 = 163.0,
 &end

# 33 GLU PHI:  (32 VAL C)-(33 GLU N)-(33 GLU CA)-(33 GLU C) -166.0 -106.0
 &rst     iat =   529,   531,   533,   544,
   r1 = -167.0, r2 = -166.0, r3 = -106.0, r4 = -105.0,
 &end

# 33 GLU PSI:  (33 GLU N)-(33 GLU CA)-(33 GLU C)-(34 SER N) 120.0 180.0
 &rst     iat =   531,   533,   544,   546,
   r1 = 119.0, r2 = 120.0, r3 = 180.0, r4 = 181.0,
 &end

# 34 SER PHI:  (33 GLU C)-(34 SER N)-(34 SER CA)-(34 SER C) -153.0 -93.0
 &rst     iat =   544,   546,   548,   555,
   r1 = -154.0, r2 = -153.0, r3 = -93.0, r4 = -92.0,
 &end

# 34 SER PSI:  (34 SER N)-(34 SER CA)-(34 SER C)-(35 ALA N) 119.0 179.0
 &rst     iat =   546,   548,   555,   557,
   r1 = 118.0, r2 = 119.0, r3 = 179.0, r4 = 180.0,
 &end

# 45 ALA PHI:  (44 GLY C)-(45 ALA N)-(45 ALA CA)-(45 ALA C) -117.0 -57.0
 &rst     iat =   679,   681,   683,   689,
   r1 = -118.0, r2 = -117.0, r3 = -57.0, r4 = -56.0,
 &end

# 45 ALA PSI:  (45 ALA N)-(45 ALA CA)-(45 ALA C)-(46 ASP N) 108.0 168.0
 &rst     iat =   681,   683,   689,   691,
   r1 = 107.0, r2 = 108.0, r3 = 168.0, r4 = 169.0,
 &end

# 46 ASP PHI:  (45 ALA C)-(46 ASP N)-(46 ASP CA)-(46 ASP C) -126.0 -66.0
 &rst     iat =   689,   691,   693,   701,
   r1 = -127.0, r2 = -126.0, r3 = -66.0, r4 = -65.0,
 &end

# 46 ASP PSI:  (46 ASP N)-(46 ASP CA)-(46 ASP C)-(47 PRO N) 102.0 162.0
 &rst     iat =   691,   693,   701,   703,
   r1 = 101.0, r2 = 102.0, r3 = 162.0, r4 = 163.0,
 &end

# 48 THR PHI:  (47 PRO C)-(48 THR N)-(48 THR CA)-(48 THR C) -96.0 -36.0
 &rst     iat =   715,   717,   719,   729,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end

# 48 THR PSI:  (48 THR N)-(48 THR CA)-(48 THR C)-(49 ALA N) -69.0  -9.0
 &rst     iat =   717,   719,   729,   731,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end

# 49 ALA PHI:  (48 THR C)-(49 ALA N)-(49 ALA CA)-(49 ALA C) -95.1 -35.1
 &rst     iat =   729,   731,   733,   739,
   r1 = -96.1, r2 = -95.1, r3 = -35.1, r4 = -34.1,
 &end

# 49 ALA PSI:  (49 ALA N)-(49 ALA CA)-(49 ALA C)-(50 ILE N) -69.2  -9.1
 &rst     iat =   731,   733,   739,   741,
   r1 = -70.2, r2 = -69.2, r3 =  -9.1, r4 =  -8.1,
 &end

# 50 ILE PHI:  (49 ALA C)-(50 ILE N)-(50 ILE CA)-(50 ILE C) -93.9 -33.9
 &rst     iat =   739,   741,   743,   758,
   r1 = -94.9, r2 = -93.9, r3 = -33.9, r4 = -32.9,
 &end

# 50 ILE PSI:  (50 ILE N)-(50 ILE CA)-(50 ILE C)-(51 SER N) -74.0 -14.0
 &rst     iat =   741,   743,   758,   760,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end

# 51 SER PHI:  (50 ILE C)-(51 SER N)-(51 SER CA)-(51 SER C) -91.9 -31.9
 &rst     iat =   758,   760,   762,   769,
   r1 = -92.9, r2 = -91.9, r3 = -31.9, r4 = -30.9,
 &end

# 51 SER PSI:  (51 SER N)-(51 SER CA)-(51 SER C)-(52 VAL N) -68.8  -8.8
 &rst     iat =   760,   762,   769,   771,
   r1 = -69.8, r2 = -68.8, r3 =  -8.8, r4 =  -7.8,
 &end

# 52 VAL PHI:  (51 SER C)-(52 VAL N)-(52 VAL CA)-(52 VAL C) -96.2 -36.2
 &rst     iat =   769,   771,   773,   785,
   r1 = -97.2, r2 = -96.2, r3 = -36.2, r4 = -35.2,
 &end

# 52 VAL PSI:  (52 VAL N)-(52 VAL CA)-(52 VAL C)-(53 ALA N) -75.0 -15.0
 &rst     iat =   771,   773,   785,   787,
   r1 = -76.0, r2 = -75.0, r3 = -15.0, r4 = -14.0,
 &end

# 53 ALA PHI:  (52 VAL C)-(53 ALA N)-(53 ALA CA)-(53 ALA C) -91.0 -31.0
 &rst     iat =   785,   787,   789,   795,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end

# 53 ALA PSI:  (53 ALA N)-(53 ALA CA)-(53 ALA C)-(54 ALA N) -69.4  -9.4
 &rst     iat =   787,   789,   795,   797,
   r1 = -70.4, r2 = -69.4, r3 =  -9.4, r4 =  -8.4,
 &end

# 54 ALA PHI:  (53 ALA C)-(54 ALA N)-(54 ALA CA)-(54 ALA C) -93.9 -33.9
 &rst     iat =   795,   797,   799,   805,
   r1 = -94.9, r2 = -93.9, r3 = -33.9, r4 = -32.9,
 &end

# 54 ALA PSI:  (54 ALA N)-(54 ALA CA)-(54 ALA C)-(55 GLU N) -69.3  -9.3
 &rst     iat =   797,   799,   805,   807,
   r1 = -70.3, r2 = -69.3, r3 =  -9.3, r4 =  -8.3,
 &end

# 55 GLU PHI:  (54 ALA C)-(55 GLU N)-(55 GLU CA)-(55 GLU C) -96.4 -36.4
 &rst     iat =   805,   807,   809,   820,
   r1 = -97.4, r2 = -96.4, r3 = -36.4, r4 = -35.4,
 &end

# 55 GLU PSI:  (55 GLU N)-(55 GLU CA)-(55 GLU C)-(56 HIS N) -58.1   1.9
 &rst     iat =   807,   809,   820,   822,
   r1 = -59.1, r2 = -58.1, r3 =   1.9, r4 =   2.9,
 &end

# 57 GLN PHI:  (56 HIS C)-(57 GLN N)-(57 GLN CA)-(57 GLN C)  31.7  91.7
 &rst     iat =   837,   839,   841,   854,
   r1 =  30.7, r2 =  31.7, r3 =  91.7, r4 =  92.7,
 &end

# 57 GLN PSI:  (57 GLN N)-(57 GLN CA)-(57 GLN C)-(58 LEU N)   4.3  64.3
 &rst     iat =   839,   841,   854,   856,
   r1 =   3.3, r2 =   4.3, r3 =  64.3, r4 =  65.3,
 &end

# 56 HIS PHI:  (55 GLU C)-(56 HIS N)-(56 HIS CA)-(56 HIS C) -125.2 -65.2
 &rst     iat =   820,   822,   824,   837,
   r1 = -126.2, r2 = -125.2, r3 = -65.2, r4 = -64.2,
 &end

# 56 HIS PSI:  (56 HIS N)-(56 HIS CA)-(56 HIS C)-(57 GLN N) -21.9  38.1
 &rst     iat =   822,   824,   837,   839,
   r1 = -22.9, r2 = -21.9, r3 =  38.1, r4 =  39.1,
 &end

# 58 LEU PHI:  (57 GLN C)-(58 LEU N)-(58 LEU CA)-(58 LEU C) -142.0 -82.0
 &rst     iat =   854,   856,   858,   873,
   r1 = -143.0, r2 = -142.0, r3 = -82.0, r4 = -81.0,
 &end

# 58 LEU PSI:  (58 LEU N)-(58 LEU CA)-(58 LEU C)-(59 SER N) 109.0 169.0
 &rst     iat =   856,   858,   873,   875,
   r1 = 108.0, r2 = 109.0, r3 = 169.0, r4 = 170.0,
 &end

# 59 SER PHI:  (58 LEU C)-(59 SER N)-(59 SER CA)-(59 SER C) -130.0 -70.0
 &rst     iat =   873,   875,   877,   884,
   r1 = -131.0, r2 = -130.0, r3 = -70.0, r4 = -69.0,
 &end

# 59 SER PSI:  (59 SER N)-(59 SER CA)-(59 SER C)-(60 LEU N)  93.0 153.0
 &rst     iat =   875,   877,   884,   886,
   r1 =  92.0, r2 =  93.0, r3 = 153.0, r4 = 154.0,
 &end

# 63 HIS PHI:  (62 GLY C)-(63 HIS N)-(63 HIS CA)-(63 HIS C) -102.0 -42.0
 &rst     iat =   925,   927,   929,   942,
   r1 = -103.0, r2 = -102.0, r3 = -42.0, r4 = -41.0,
 &end

# 63 HIS PSI:  (63 HIS N)-(63 HIS CA)-(63 HIS C)-(64 CYS N)  98.0 158.0
 &rst     iat =   927,   929,   942,   944,
   r1 =  97.0, r2 =  98.0, r3 = 158.0, r4 = 159.0,
 &end

# 64 CYS PHI:  (63 HIS C)-(64 CYS N)-(64 CYS CA)-(64 CYS C) -133.0 -73.0
 &rst     iat =   942,   944,   946,   953,
   r1 = -134.0, r2 = -133.0, r3 = -73.0, r4 = -72.0,
 &end

# 64 CYS PSI:  (64 CYS N)-(64 CYS CA)-(64 CYS C)-(65 ALA N)  93.0 153.0
 &rst     iat =   944,   946,   953,   955,
   r1 =  92.0, r2 =  93.0, r3 = 153.0, r4 = 154.0,
 &end

# 65 ALA PHI:  (64 CYS C)-(65 ALA N)-(65 ALA CA)-(65 ALA C) -125.0 -65.0
 &rst     iat =   953,   955,   957,   963,
   r1 = -126.0, r2 = -125.0, r3 = -65.0, r4 = -64.0,
 &end

# 65 ALA PSI:  (65 ALA N)-(65 ALA CA)-(65 ALA C)-(66 ARG N)  95.0 155.0
 &rst     iat =   955,   957,   963,   965,
   r1 =  94.0, r2 =  95.0, r3 = 155.0, r4 = 156.0,
 &end

# 66 ARG PHI:  (65 ALA C)-(66 ARG N)-(66 ARG CA)-(66 ARG C) -173.0 -83.0
 &rst     iat =   963,   965,   967,   987,
   r1 = -174.0, r2 = -173.0, r3 = -83.0, r4 = -82.0,
 &end

# 66 ARG PSI:  (66 ARG N)-(66 ARG CA)-(66 ARG C)-(67 GLN N) 110.0 170.0
 &rst     iat =   965,   967,   987,   989,
   r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0,
 &end

# 67 GLN PHI:  (66 ARG C)-(67 GLN N)-(67 GLN CA)-(67 GLN C) -126.0 -66.0
 &rst     iat =   987,   989,   991,  1004,
   r1 = -127.0, r2 = -126.0, r3 = -66.0, r4 = -65.0,
 &end

# 67 GLN PSI:  (67 GLN N)-(67 GLN CA)-(67 GLN C)-(68 ILE N)  98.0 158.0
 &rst     iat =   989,   991,  1004,  1006,
   r1 =  97.0, r2 =  98.0, r3 = 158.0, r4 = 159.0,
 &end

# 68 ILE PHI:  (67 GLN C)-(68 ILE N)-(68 ILE CA)-(68 ILE C) -145.0 -55.0
 &rst     iat =  1004,  1006,  1008,  1023,
   r1 = -146.0, r2 = -145.0, r3 = -55.0, r4 = -54.0,
 &end

# 68 ILE PSI:  (68 ILE N)-(68 ILE CA)-(68 ILE C)-(69 SER N) 106.0 175.0
 &rst     iat =  1006,  1008,  1023,  1025,
   r1 = 105.0, r2 = 106.0, r3 = 175.0, r4 = 176.0,
 &end

# 69 SER PHI:  (68 ILE C)-(69 SER N)-(69 SER CA)-(69 SER C) -140.0 -80.0
 &rst     iat =  1023,  1025,  1027,  1034,
   r1 = -141.0, r2 = -140.0, r3 = -80.0, r4 = -79.0,
 &end

# 69 SER PSI:  (69 SER N)-(69 SER CA)-(69 SER C)-(70 ARG N) 117.0 177.0
 &rst     iat =  1025,  1027,  1034,  1036,
   r1 = 116.0, r2 = 117.0, r3 = 177.0, r4 = 178.0,
 &end

# 70 ARG PHI:  (69 SER C)-(70 ARG N)-(70 ARG CA)-(70 ARG C) -90.0 -30.0
 &rst     iat =  1034,  1036,  1038,  1058,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 70 ARG PSI:  (70 ARG N)-(70 ARG CA)-(70 ARG C)-(71 ARG N) -66.0  -6.0
 &rst     iat =  1036,  1038,  1058,  1060,
   r1 = -67.0, r2 = -66.0, r3 =  -6.0, r4 =  -5.0,
 &end

# 71 ARG PHI:  (70 ARG C)-(71 ARG N)-(71 ARG CA)-(71 ARG C) -93.0 -33.0
 &rst     iat =  1058,  1060,  1062,  1082,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end

# 71 ARG PSI:  (71 ARG N)-(71 ARG CA)-(71 ARG C)-(72 LEU N) -70.0 -10.0
 &rst     iat =  1060,  1062,  1082,  1084,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end

# 72 LEU PHI:  (71 ARG C)-(72 LEU N)-(72 LEU CA)-(72 LEU C) -95.0 -35.0
 &rst     iat =  1082,  1084,  1086,  1101,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 72 LEU PSI:  (72 LEU N)-(72 LEU CA)-(72 LEU C)-(73 CYS N) -74.0 -14.0
 &rst     iat =  1084,  1086,  1101,  1103,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end

# 73 CYS PHI:  (72 LEU C)-(73 CYS N)-(73 CYS CA)-(73 CYS C) -95.0 -35.0
 &rst     iat =  1101,  1103,  1105,  1112,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 73 CYS PSI:  (73 CYS N)-(73 CYS CA)-(73 CYS C)-(74 ARG N) -70.0 -10.0
 &rst     iat =  1103,  1105,  1112,  1114,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end

# 74 ARG PHI:  (73 CYS C)-(74 ARG N)-(74 ARG CA)-(74 ARG C) -103.0 -43.0
 &rst     iat =  1112,  1114,  1116,  1136,
   r1 = -104.0, r2 = -103.0, r3 = -43.0, r4 = -42.0,
 &end

# 74 ARG PSI:  (74 ARG N)-(74 ARG CA)-(74 ARG C)-(75 ASN N) -56.0   4.0
 &rst     iat =  1114,  1116,  1136,  1138,
   r1 = -57.0, r2 = -56.0, r3 =   4.0, r4 =   5.0,
 &end

# 75 ASN PHI:  (74 ARG C)-(75 ASN N)-(75 ASN CA)-(75 ASN C) -114.0 -54.0
 &rst     iat =  1136,  1138,  1140,  1150,
   r1 = -115.0, r2 = -114.0, r3 = -54.0, r4 = -53.0,
 &end

# 75 ASN PSI:  (75 ASN N)-(75 ASN CA)-(75 ASN C)-(76 TYR N) -58.0   2.0
 &rst     iat =  1138,  1140,  1150,  1152,
   r1 = -59.0, r2 = -58.0, r3 =   2.0, r4 =   3.0,
 &end

# 78 LEU PHI:  (77 ASP C)-(78 LEU N)-(78 LEU CA)-(78 LEU C) -158.0 -98.0
 &rst     iat =  1183,  1185,  1187,  1202,
   r1 = -159.0, r2 = -158.0, r3 = -98.0, r4 = -97.0,
 &end

# 78 LEU PSI:  (78 LEU N)-(78 LEU CA)-(78 LEU C)-(79 ILE N) 105.0 165.0
 &rst     iat =  1185,  1187,  1202,  1204,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 79 ILE PHI:  (78 LEU C)-(79 ILE N)-(79 ILE CA)-(79 ILE C) -149.0 -89.0
 &rst     iat =  1202,  1204,  1206,  1221,
   r1 = -150.0, r2 = -149.0, r3 = -89.0, r4 = -88.0,
 &end

# 79 ILE PSI:  (79 ILE N)-(79 ILE CA)-(79 ILE C)-(80 LEU N) 101.0 161.0
 &rst     iat =  1204,  1206,  1221,  1223,
   r1 = 100.0, r2 = 101.0, r3 = 161.0, r4 = 162.0,
 &end

# 80 LEU PHI:  (79 ILE C)-(80 LEU N)-(80 LEU CA)-(80 LEU C) -153.0 -93.0
 &rst     iat =  1221,  1223,  1225,  1240,
   r1 = -154.0, r2 = -153.0, r3 = -93.0, r4 = -92.0,
 &end

# 80 LEU PSI:  (80 LEU N)-(80 LEU CA)-(80 LEU C)-(81 THR N) 110.0 170.0
 &rst     iat =  1223,  1225,  1240,  1242,
   r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0,
 &end

# 81 THR PHI:  (80 LEU C)-(81 THR N)-(81 THR CA)-(81 THR C) -161.0 -101.0
 &rst     iat =  1240,  1242,  1244,  1254,
   r1 = -162.0, r2 = -161.0, r3 = -101.0, r4 = -100.0,
 &end

# 81 THR PSI:  (81 THR N)-(81 THR CA)-(81 THR C)-(82 MET N) 111.0 171.0
 &rst     iat =  1242,  1244,  1254,  1256,
   r1 = 110.0, r2 = 111.0, r3 = 171.0, r4 = 172.0,
 &end

# 83 GLU PHI:  (82 MET C)-(83 GLU N)-(83 GLU CA)-(83 GLU C) -136.0 -76.0
 &rst     iat =  1271,  1273,  1275,  1286,
   r1 = -137.0, r2 = -136.0, r3 = -76.0, r4 = -75.0,
 &end

# 83 GLU PSI:  (83 GLU N)-(83 GLU CA)-(83 GLU C)-(84 LYS N) 124.0 184.0
 &rst     iat =  1273,  1275,  1286,  1288,
   r1 = 123.0, r2 = 124.0, r3 = 184.0, r4 = 185.0,
 &end

# 84 LYS PHI:  (83 GLU C)-(84 LYS N)-(84 LYS CA)-(84 LYS C) -89.0 -29.0
 &rst     iat =  1286,  1288,  1290,  1308,
   r1 = -90.0, r2 = -89.0, r3 = -29.0, r4 = -28.0,
 &end

# 84 LYS PSI:  (84 LYS N)-(84 LYS CA)-(84 LYS C)-(85 ARG N) -70.0 -10.0
 &rst     iat =  1288,  1290,  1308,  1310,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end

# 85 ARG PHI:  (84 LYS C)-(85 ARG N)-(85 ARG CA)-(85 ARG C) -93.0 -33.0
 &rst     iat =  1308,  1310,  1312,  1332,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end

# 85 ARG PSI:  (85 ARG N)-(85 ARG CA)-(85 ARG C)-(86 HIS N) -71.0 -11.0
 &rst     iat =  1310,  1312,  1332,  1334,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 86 HIS PHI:  (85 ARG C)-(86 HIS N)-(86 HIS CA)-(86 HIS C) -94.0 -34.0
 &rst     iat =  1332,  1334,  1336,  1349,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end

# 86 HIS PSI:  (86 HIS N)-(86 HIS CA)-(86 HIS C)-(87 ILE N) -75.0 -15.0
 &rst     iat =  1334,  1336,  1349,  1351,
   r1 = -76.0, r2 = -75.0, r3 = -15.0, r4 = -14.0,
 &end

# 87 ILE PHI:  (86 HIS C)-(87 ILE N)-(87 ILE CA)-(87 ILE C) -93.0 -33.0
 &rst     iat =  1349,  1351,  1353,  1368,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end

# 87 ILE PSI:  (87 ILE N)-(87 ILE CA)-(87 ILE C)-(88 GLU N) -74.0 -14.0
 &rst     iat =  1351,  1353,  1368,  1370,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end

# 88 GLU PHI:  (87 ILE C)-(88 GLU N)-(88 GLU CA)-(88 GLU C) -90.0 -30.0
 &rst     iat =  1368,  1370,  1372,  1383,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 88 GLU PSI:  (88 GLU N)-(88 GLU CA)-(88 GLU C)-(89 ARG N) -71.0 -11.0
 &rst     iat =  1370,  1372,  1383,  1385,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 89 ARG PHI:  (88 GLU C)-(89 ARG N)-(89 ARG CA)-(89 ARG C) -94.0 -34.0
 &rst     iat =  1383,  1385,  1387,  1407,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end

# 89 ARG PSI:  (89 ARG N)-(89 ARG CA)-(89 ARG C)-(90 LEU N) -73.0 -13.0
 &rst     iat =  1385,  1387,  1407,  1409,
   r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
 &end

# 90 LEU PHI:  (89 ARG C)-(90 LEU N)-(90 LEU CA)-(90 LEU C) -94.0 -34.0
 &rst     iat =  1407,  1409,  1411,  1426,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end

# 90 LEU PSI:  (90 LEU N)-(90 LEU CA)-(90 LEU C)-(91 CYS N) -76.0 -16.0
 &rst     iat =  1409,  1411,  1426,  1428,
   r1 = -77.0, r2 = -76.0, r3 = -16.0, r4 = -15.0,
 &end

# 91 CYS PHI:  (90 LEU C)-(91 CYS N)-(91 CYS CA)-(91 CYS C) -94.0 -34.0
 &rst     iat =  1426,  1428,  1430,  1437,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end

# 91 CYS PSI:  (91 CYS N)-(91 CYS CA)-(91 CYS C)-(92 GLU N) -71.0 -11.0
 &rst     iat =  1428,  1430,  1437,  1439,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 92 GLU PHI:  (91 CYS C)-(92 GLU N)-(92 GLU CA)-(92 GLU C) -98.0 -38.0
 &rst     iat =  1437,  1439,  1441,  1452,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end

# 92 GLU PSI:  (92 GLU N)-(92 GLU CA)-(92 GLU C)-(93 MET N) -65.0  -5.0
 &rst     iat =  1439,  1441,  1452,  1454,
   r1 = -66.0, r2 = -65.0, r3 =  -5.0, r4 =  -4.0,
 &end

# 96 GLU PHI:  (95 PRO C)-(96 GLU N)-(96 GLU CA)-(96 GLU C) -97.0 -37.0
 &rst     iat =  1493,  1495,  1497,  1508,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end

# 96 GLU PSI:  (96 GLU N)-(96 GLU CA)-(96 GLU C)-(97 MET N) -56.0   4.0
 &rst     iat =  1495,  1497,  1508,  1510,
   r1 = -57.0, r2 = -56.0, r3 =   4.0, r4 =   5.0,
 &end

# 96 GLU PSI:  (96 GLU N)-(96 GLU CA)-(96 GLU C)-(97 MET N) -56.0   4.0
 &rst     iat =  1495,  1497,  1508,  1510,
   r1 = -57.0, r2 = -56.0, r3 =   4.0, r4 =   5.0,
 &end

# 96 GLU PSI:  (96 GLU N)-(96 GLU CA)-(96 GLU C)-(97 MET N) -56.0   4.0
 &rst     iat =  1495,  1497,  1508,  1510,
   r1 = -57.0, r2 = -56.0, r3 =   4.0, r4 =   5.0,
 &end

# 101 VAL PHI:  (100 LYS C)-(101 VAL N)-(101 VAL CA)-(101 VAL C) -148.0 -88.0
 &rst     iat =  1578,  1580,  1582,  1594,
   r1 = -149.0, r2 = -148.0, r3 = -88.0, r4 = -87.0,
 &end

# 101 VAL PSI:  (101 VAL N)-(101 VAL CA)-(101 VAL C)-(102 MET N) 106.0 166.0
 &rst     iat =  1580,  1582,  1594,  1596,
   r1 = 105.0, r2 = 106.0, r3 = 166.0, r4 = 167.0,
 &end

# 102 MET PHI:  (101 VAL C)-(102 MET N)-(102 MET CA)-(102 MET C) -175.0 -115.0
 &rst     iat =  1594,  1596,  1598,  1611,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 &end

# 102 MET PSI:  (102 MET N)-(102 MET CA)-(102 MET C)-(103 LEU N) 127.0 187.0
 &rst     iat =  1596,  1598,  1611,  1613,
   r1 = 126.0, r2 = 127.0, r3 = 187.0, r4 = 188.0,
 &end

# 103 LEU PHI:  (102 MET C)-(103 LEU N)-(103 LEU CA)-(103 LEU C) -109.0 -49.0
 &rst     iat =  1611,  1613,  1615,  1630,
   r1 = -110.0, r2 = -109.0, r3 = -49.0, r4 = -48.0,
 &end

# 103 LEU PSI:  (103 LEU N)-(103 LEU CA)-(103 LEU C)-(104 PHE N) 105.0 165.0
 &rst     iat =  1613,  1615,  1630,  1632,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 104 PHE PHI:  (103 LEU C)-(104 PHE N)-(104 PHE CA)-(104 PHE C) -88.0 -28.0
 &rst     iat =  1630,  1632,  1634,  1650,
   r1 = -89.0, r2 = -88.0, r3 = -28.0, r4 = -27.0,
 &end

# 104 PHE PSI:  (104 PHE N)-(104 PHE CA)-(104 PHE C)-(105 GLY N) -63.0  -3.0
 &rst     iat =  1632,  1634,  1650,  1652,
   r1 = -64.0, r2 = -63.0, r3 =  -3.0, r4 =  -2.0,
 &end

# 105 GLY PHI:  (104 PHE C)-(105 GLY N)-(105 GLY CA)-(105 GLY C) -104.0 -44.0
 &rst     iat =  1650,  1652,  1654,  1657,
   r1 = -105.0, r2 = -104.0, r3 = -44.0, r4 = -43.0,
 &end

# 105 GLY PSI:  (105 GLY N)-(105 GLY CA)-(105 GLY C)-(106 HIS N) -49.0  11.0
 &rst     iat =  1652,  1654,  1657,  1659,
   r1 = -50.0, r2 = -49.0, r3 =  11.0, r4 =  12.0,
 &end

# 106 HIS PHI:  (105 GLY C)-(106 HIS N)-(106 HIS CA)-(106 HIS C) -92.0 -32.0
 &rst     iat =  1657,  1659,  1661,  1674,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end

# 106 HIS PSI:  (106 HIS N)-(106 HIS CA)-(106 HIS C)-(107 TRP N) -63.0  -3.0
 &rst     iat =  1659,  1661,  1674,  1676,
   r1 = -64.0, r2 = -63.0, r3 =  -3.0, r4 =  -2.0,
 &end

# 107 TRP PHI:  (106 HIS C)-(107 TRP N)-(107 TRP CA)-(107 TRP C) -110.0 -50.0
 &rst     iat =  1674,  1676,  1678,  1698,
   r1 = -111.0, r2 = -110.0, r3 = -50.0, r4 = -49.0,
 &end

# 107 TRP PSI:  (107 TRP N)-(107 TRP CA)-(107 TRP C)-(108 ASP N) -34.0  26.0
 &rst     iat =  1676,  1678,  1698,  1700,
   r1 = -35.0, r2 = -34.0, r3 =  26.0, r4 =  27.0,
 &end

# 112 GLU PHI:  (111 CYS C)-(112 GLU N)-(112 GLU CA)-(112 GLU C) -138.0 -78.0
 &rst     iat =  1750,  1752,  1754,  1765,
   r1 = -139.0, r2 = -138.0, r3 = -78.0, r4 = -77.0,
 &end

# 112 GLU PSI:  (112 GLU N)-(112 GLU CA)-(112 GLU C)-(113 ILE N) 110.0 170.0
 &rst     iat =  1752,  1754,  1765,  1767,
   r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0,
 &end

# 113 ILE PHI:  (112 GLU C)-(113 ILE N)-(113 ILE CA)-(113 ILE C) -135.0 -75.0
 &rst     iat =  1765,  1767,  1769,  1784,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end

# 113 ILE PSI:  (113 ILE N)-(113 ILE CA)-(113 ILE C)-(114 PRO N) 106.0 166.0
 &rst     iat =  1767,  1769,  1784,  1786,
   r1 = 105.0, r2 = 106.0, r3 = 166.0, r4 = 167.0,
 &end

# 120 SER PHI:  (119 LYS C)-(120 SER N)-(120 SER CA)-(120 SER C) -122.0 -62.0
 &rst     iat =  1891,  1893,  1895,  1902,
   r1 = -123.0, r2 = -122.0, r3 = -62.0, r4 = -61.0,
 &end

# 120 SER PSI:  (120 SER N)-(120 SER CA)-(120 SER C)-(121 ARG N) 133.0 193.0
 &rst     iat =  1893,  1895,  1902,  1904,
   r1 = 132.0, r2 = 133.0, r3 = 193.0, r4 = 194.0,
 &end

# 121 ARG PHI:  (120 SER C)-(121 ARG N)-(121 ARG CA)-(121 ARG C) -90.0 -30.0
 &rst     iat =  1902,  1904,  1906,  1926,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 121 ARG PSI:  (121 ARG N)-(121 ARG CA)-(121 ARG C)-(122 GLU N) -67.0  -7.0
 &rst     iat =  1904,  1906,  1926,  1928,
   r1 = -68.0, r2 = -67.0, r3 =  -7.0, r4 =  -6.0,
 &end

# 122 GLU PHI:  (121 ARG C)-(122 GLU N)-(122 GLU CA)-(122 GLU C) -93.0 -33.0
 &rst     iat =  1926,  1928,  1930,  1941,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end

# 122 GLU PSI:  (122 GLU N)-(122 GLU CA)-(122 GLU C)-(123 THR N) -67.0  -7.0
 &rst     iat =  1928,  1930,  1941,  1943,
   r1 = -68.0, r2 = -67.0, r3 =  -7.0, r4 =  -6.0,
 &end

# 123 THR PHI:  (122 GLU C)-(123 THR N)-(123 THR CA)-(123 THR C) -100.0 -40.0
 &rst     iat =  1941,  1943,  1945,  1955,
   r1 = -101.0, r2 = -100.0, r3 = -40.0, r4 = -39.0,
 &end

# 123 THR PSI:  (123 THR N)-(123 THR CA)-(123 THR C)-(124 PHE N) -70.0 -10.0
 &rst     iat =  1943,  1945,  1955,  1957,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end

# 124 PHE PHI:  (123 THR C)-(124 PHE N)-(124 PHE CA)-(124 PHE C) -93.0 -33.0
 &rst     iat =  1955,  1957,  1959,  1975,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end

# 124 PHE PSI:  (124 PHE N)-(124 PHE CA)-(124 PHE C)-(125 ALA N) -74.0 -14.0
 &rst     iat =  1957,  1959,  1975,  1977,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end

# 125 ALA PHI:  (124 PHE C)-(125 ALA N)-(125 ALA CA)-(125 ALA C) -94.0 -34.0
 &rst     iat =  1975,  1977,  1979,  1985,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end

# 125 ALA PSI:  (125 ALA N)-(125 ALA CA)-(125 ALA C)-(126 ALA N) -73.0 -13.0
 &rst     iat =  1977,  1979,  1985,  1987,
   r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
 &end

# 126 ALA PHI:  (125 ALA C)-(126 ALA N)-(126 ALA CA)-(126 ALA C) -96.0 -36.0
 &rst     iat =  1985,  1987,  1989,  1995,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end

# 126 ALA PSI:  (126 ALA N)-(126 ALA CA)-(126 ALA C)-(127 VAL N) -68.0  -8.0
 &rst     iat =  1987,  1989,  1995,  1997,
   r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
 &end

# 127 VAL PHI:  (126 ALA C)-(127 VAL N)-(127 VAL CA)-(127 VAL C) -95.0 -35.0
 &rst     iat =  1995,  1997,  1999,  2011,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 127 VAL PSI:  (127 VAL N)-(127 VAL CA)-(127 VAL C)-(128 TYR N) -72.0 -12.0
 &rst     iat =  1997,  1999,  2011,  2013,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end

# 128 TYR PHI:  (127 VAL C)-(128 TYR N)-(128 TYR CA)-(128 TYR C) -92.0 -32.0
 &rst     iat =  2011,  2013,  2015,  2032,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end

# 128 TYR PSI:  (128 TYR N)-(128 TYR CA)-(128 TYR C)-(129 THR N) -74.0 -14.0
 &rst     iat =  2013,  2015,  2032,  2034,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end

# 129 THR PHI:  (128 TYR C)-(129 THR N)-(129 THR CA)-(129 THR C) -93.0 -33.0
 &rst     iat =  2032,  2034,  2036,  2046,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end

# 129 THR PSI:  (129 THR N)-(129 THR CA)-(129 THR C)-(130 LEU N) -74.0 -14.0
 &rst     iat =  2034,  2036,  2046,  2048,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end

# 130 LEU PHI:  (129 THR C)-(130 LEU N)-(130 LEU CA)-(130 LEU C) -94.0 -34.0
 &rst     iat =  2046,  2048,  2050,  2065,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end

# 130 LEU PSI:  (130 LEU N)-(130 LEU CA)-(130 LEU C)-(131 LEU N) -68.0  -8.0
 &rst     iat =  2048,  2050,  2065,  2067,
   r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
 &end

# 131 LEU PHI:  (130 LEU C)-(131 LEU N)-(131 LEU CA)-(131 LEU C) -94.0 -34.0
 &rst     iat =  2065,  2067,  2069,  2084,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end

# 131 LEU PSI:  (131 LEU N)-(131 LEU CA)-(131 LEU C)-(132 GLU N) -69.0  -9.0
 &rst     iat =  2067,  2069,  2084,  2086,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end

# 132 GLU PHI:  (131 LEU C)-(132 GLU N)-(132 GLU CA)-(132 GLU C) -93.1 -33.1
 &rst     iat =  2084,  2086,  2088,  2099,
   r1 = -94.1, r2 = -93.1, r3 = -33.1, r4 = -32.1,
 &end

# 132 GLU PSI:  (132 GLU N)-(132 GLU CA)-(132 GLU C)-(133 ARG N) -71.9 -11.9
 &rst     iat =  2086,  2088,  2099,  2101,
   r1 = -72.9, r2 = -71.9, r3 = -11.9, r4 = -10.9,
 &end

# 133 ARG PHI:  (132 GLU C)-(133 ARG N)-(133 ARG CA)-(133 ARG C) -94.1 -34.1
 &rst     iat =  2099,  2101,  2103,  2123,
   r1 = -95.1, r2 = -94.1, r3 = -34.1, r4 = -33.1,
 &end

# 133 ARG PSI:  (133 ARG N)-(133 ARG CA)-(133 ARG C)-(134 SER N) -69.3  -9.3
 &rst     iat =  2101,  2103,  2123,  2125,
   r1 = -70.3, r2 = -69.3, r3 =  -9.3, r4 =  -8.3,
 &end

# 134 SER PHI:  (133 ARG C)-(134 SER N)-(134 SER CA)-(134 SER C) -98.0 -38.0
 &rst     iat =  2123,  2125,  2127,  2134,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end

# 134 SER PSI:  (134 SER N)-(134 SER CA)-(134 SER C)-(135 ALA N) -66.8  -6.8
 &rst     iat =  2125,  2127,  2134,  2136,
   r1 = -67.8, r2 = -66.8, r3 =  -6.8, r4 =  -5.8,
 &end

# 135 ALA PHI:  (134 SER C)-(135 ALA N)-(135 ALA CA)-(135 ALA C) -93.9 -33.9
 &rst     iat =  2134,  2136,  2138,  2144,
   r1 = -94.9, r2 = -93.9, r3 = -33.9, r4 = -32.9,
 &end

# 135 ALA PSI:  (135 ALA N)-(135 ALA CA)-(135 ALA C)-(136 ARG N) -71.2 -11.2
 &rst     iat =  2136,  2138,  2144,  2146,
   r1 = -72.2, r2 = -71.2, r3 = -11.2, r4 = -10.2,
 &end

# 136 ARG PHI:  (135 ALA C)-(136 ARG N)-(136 ARG CA)-(136 ARG C) -96.0 -36.0
 &rst     iat =  2144,  2146,  2148,  2168,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end

# 136 ARG PSI:  (136 ARG N)-(136 ARG CA)-(136 ARG C)-(137 GLN N) -71.0 -11.0
 &rst     iat =  2146,  2148,  2168,  2170,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 137 GLN PHI:  (136 ARG C)-(137 GLN N)-(137 GLN CA)-(137 GLN C) -94.9 -34.9
 &rst     iat =  2168,  2170,  2172,  2185,
   r1 = -95.9, r2 = -94.9, r3 = -34.9, r4 = -33.9,
 &end

# 137 GLN PSI:  (137 GLN N)-(137 GLN CA)-(137 GLN C)-(138 TRP N) -65.1  -5.1
 &rst     iat =  2170,  2172,  2185,  2187,
   r1 = -66.1, r2 = -65.1, r3 =  -5.1, r4 =  -4.1,
 &end

# 138 TRP PHI:  (137 GLN C)-(138 TRP N)-(138 TRP CA)-(138 TRP C) -95.0 -35.0
 &rst     iat =  2185,  2187,  2189,  2209,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 138 TRP PSI:  (138 TRP N)-(138 TRP CA)-(138 TRP C)-(139 ALA N) -71.9 -11.9
 &rst     iat =  2187,  2189,  2209,  2211,
   r1 = -72.9, r2 = -71.9, r3 = -11.9, r4 = -10.9,
 &end

# 139 ALA PHI:  (138 TRP C)-(139 ALA N)-(139 ALA CA)-(139 ALA C) -91.6 -31.6
 &rst     iat =  2209,  2211,  2213,  2219,
   r1 = -92.6, r2 = -91.6, r3 = -31.6, r4 = -30.6,
 &end

# 139 ALA PSI:  (139 ALA N)-(139 ALA CA)-(139 ALA C)-(140 GLN N) -73.0 -13.0
 &rst     iat =  2211,  2213,  2219,  2221,
   r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
 &end

# 140 GLN PHI:  (139 ALA C)-(140 GLN N)-(140 GLN CA)-(140 GLN C) -94.0 -34.0
 &rst     iat =  2219,  2221,  2223,  2236,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end

# 140 GLN PSI:  (140 GLN N)-(140 GLN CA)-(140 GLN C)-(141 ALA N) -70.2 -10.2
 &rst     iat =  2221,  2223,  2236,  2238,
   r1 = -71.2, r2 = -70.2, r3 = -10.2, r4 =  -9.2,
 &end

# 141 ALA PHI:  (140 GLN C)-(141 ALA N)-(141 ALA CA)-(141 ALA C) -96.0 -36.0
 &rst     iat =  2236,  2238,  2240,  2246,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end

# 141 ALA PSI:  (141 ALA N)-(141 ALA CA)-(141 ALA C)-(142 LEU N) -67.0  -7.0
 &rst     iat =  2238,  2240,  2246,  2248,
   r1 = -68.0, r2 = -67.0, r3 =  -7.0, r4 =  -6.0,
 &end

# 142 LEU PHI:  (141 ALA C)-(142 LEU N)-(142 LEU CA)-(142 LEU C) -107.0 -47.0
 &rst     iat =  2246,  2248,  2250,  2265,
   r1 = -108.0, r2 = -107.0, r3 = -47.0, r4 = -46.0,
 &end

# 142 LEU PSI:  (142 LEU N)-(142 LEU CA)-(142 LEU C)-(143 ASN N) -52.0   8.0
 &rst     iat =  2248,  2250,  2265,  2267,
   r1 = -53.0, r2 = -52.0, r3 =   8.0, r4 =   9.0,
 &end

********************************************************************
Chi1
********************************************************************
4 ASN CHI1 -60 40
12 ASN CHI1 180 40
22 LEU CHI1 60 40
26 TYR CHI1 60 40
56 HIS CHI1 60 40
58 LEU CHI1 180 40
60 LEU CHI1 60 40
63 HIS CHI1 180 40
69 SER CHI1 60 40
76 TYR CHI1 60 40
77 ASP- CHI1 -60 40
86 HIS CHI1 -60 40
91 CYS CHI1 60 40
100 LYS+ CHI1 -60 40
106 HIS CHI1 180 40
107 TRP CHI1 -60 40
109 ASN CHI1 60 40
115 ASP- CHI1 180 40
117 TYR CHI1 180 40
124 PHE CHI1 60 40
128 TYR CHI1 60 40
130 LEU CHI1 60 40
131 LEU CHI1 -60 40
132 GLU- CHI1 180 40
5 ILE CHI1 -60 40
8 VAL CHI1 180 40
18 THR CHI1 -60 40
32 VAL CHI1 180 40
48 THR CHI1 -60 40
81 THR CHI1 60 40
123 THR CHI1 -60 40
129 THR CHI1 -60 40
********************************************************************
hbond
********************************************************************
#
# 17 PRO O 21 ARG+ HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 305, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 &end
#
# 17 PRO O 21 ARG+ N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 304, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 18 THR O 22 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 329, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 18 THR O 22 LEU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 328, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 19 ALA O 23 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 348, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 19 ALA O 23 LEU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 347, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 20 GLU- O 24 GLN HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 367, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 20 GLU- O 24 GLN N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 366, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 21 ARG+ O 25 ARG+ HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 384, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 21 ARG+ O 25 ARG+ N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 383, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 22 LEU O 26 TYR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 408, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 22 LEU O 26 TYR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 407, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 23 LEU O 27 HIS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 429, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 23 LEU O 27 HIS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 428, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 46 ASP- O 50 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 702, 742, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 46 ASP- O 50 ILE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 702, 741, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 47 PRO O 51 SER HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 761, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 47 PRO O 51 SER N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 760, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 48 THR O 52 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 772, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 48 THR O 52 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 771, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 49 ALA O 53 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 740, 788, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 49 ALA O 53 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 740, 787, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 50 ILE O 54 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 798, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 50 ILE O 54 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 797, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 51 SER O 55 GLU- HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 808, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 51 SER O 55 GLU- N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 807, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 69 SER O 73 CYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1104, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 69 SER O 73 CYS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1103, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 70 ARG+ O 74 ARG+ HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1059,1115, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 70 ARG+ O 74 ARG+ N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1059,1114, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 71 ARG+ O 75 ASN HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1083,1139, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 71 ARG+ O 75 ASN N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1083,1138, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 84 LYS+ O 88 GLU- HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1309,1371, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 84 LYS+ O 88 GLU- N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1309,1370, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 85 ARG+ O 89 ARG+ HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1333,1386, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 85 ARG+ O 89 ARG+ N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1333,1385, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 86 HIS O 90 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1410, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 86 HIS O 90 LEU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1409, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 87 ILE O 91 CYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1369,1429, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 87 ILE O 91 CYS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1369,1428, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 88 GLU- O 92 GLU- HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1384,1440, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 88 GLU- O 92 GLU- N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1384,1439, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 89 ARG+ O 93 MET HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1408,1455, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 89 ARG+ O 93 MET N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1408,1454, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 121 ARG+ O 125 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1927,1978, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 121 ARG+ O 125 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1927,1977, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 122 GLU- O 126 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1942,1988, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 122 GLU- O 126 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1942,1987, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 123 THR O 127 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1956,1998, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 123 THR O 127 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1956,1997, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 124 PHE O 128 TYR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1976,2014, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 124 PHE O 128 TYR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1976,2013, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 125 ALA O 129 THR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1986,2035, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 125 ALA O 129 THR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1986,2034, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 128 TYR O 132 GLU- HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=2033,2087, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 128 TYR O 132 GLU- N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=2033,2086, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 129 THR O 133 ARG+ HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=2047,2102, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 129 THR O 133 ARG+ N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=2047,2101, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 131 LEU O 135 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=2085,2137, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 131 LEU O 135 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=2085,2136, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 132 GLU- O 136 ARG+ HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=2100,2147, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 132 GLU- O 136 ARG+ N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=2100,2146, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 133 ARG+ O 137 GLN HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=2124,2171, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 133 ARG+ O 137 GLN N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=2124,2170, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 134 SER O 138 TRP HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=2135,2188, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 134 SER O 138 TRP N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=2135,2187, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 136 ARG+ O 140 GLN HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=2169,2222, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 136 ARG+ O 140 GLN N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=2169,2221, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 137 GLN O 141 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=2186,2239, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 137 GLN O 141 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=2186,2238, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 138 TRP O 142 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=2210,2249, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 138 TRP O 142 LEU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=2210,2248, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 139 ALA O 143 ASN HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=2220,2268, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 139 ALA O 143 ASN N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=2220,2267, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 5 ILE HN 31 LYS+ O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  69, 514, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 5 ILE N 31 LYS+ O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  68, 514, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 5 ILE O 33 GLU- HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  86, 532, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 5 ILE O 33 GLU- N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  86, 531, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 7 VAL HN 33 GLU- O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 545, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 7 VAL N 33 GLU- O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 545, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 7 VAL O 35 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 558, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 7 VAL O 35 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 557, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 9 CYS HN 35 ALA O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 566, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 9 CYS N  35 ALA O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 566, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 6 LEU HN 78 LEU O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  88,1203, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 6 LEU N 78 LEU O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  87,1203, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 4 ASN O 77 ASP- HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  67,1174, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 4 ASN O 77 ASP- N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  67,1173, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 8 VAL HN 80 LEU O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 123,1241, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 8 VAL N 80 LEU O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 122,1241, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 6 LEU O 80 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 105,1224, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 6 LEU O 80 LEU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 105,1223, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 81 THR HN 102 MET O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1243,1612, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 81 THR N 102 MET O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1242,1612, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 81 THR O 104 PHE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1255,1633, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 81 THR O 104 PHE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1255,1632, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
********************************************************************
chirality
********************************************************************
#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150.,  &end
#
#  chirality for residue 1 atoms:  CB SD HG2 HG3
 &rst iat=7,13,11,12, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,18,6,7, &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=22,27,25,26, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,38,23,24, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=42,47,45,46, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=40,52,43,44, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=56,61,59,60, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=54,66,57,58, &end
#
#  chirality for residue 5 atoms:  CA CG2 CG1 HB
 &rst iat=70,74,78,73, &end
#
#  chirality for residue 5 atoms:  CB CD1 HG12 HG13
 &rst iat=72,81,79,80, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=68,85,71,72, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=89,94,92,93, &end
#
#  chirality for residue 6 atoms:  CB CD1 CD2 HG
 &rst iat=91,96,100,95, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=87,104,90,91, &end
#
#  chirality for residue 7 atoms:  CA CG1 CG2 HB
 &rst iat=108,112,116,111, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=106,120,109,110, &end
#
#  chirality for residue 8 atoms:  CA CG1 CG2 HB
 &rst iat=124,128,132,127, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=122,136,125,126, &end
#
#  chirality for residue 9 atoms:  CA SG HB2 HB3
 &rst iat=140,145,143,144, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=138,147,141,142, &end
#
#  chirality for residue 10 atoms:  CA CG1 CG2 HB
 &rst iat=151,155,159,154, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=149,163,152,153, &end
#
#  chirality for residue 11 atoms:  N C HA2 HA3
 &rst iat=165,170,168,169, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=174,179,177,178, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=172,184,175,176, &end
#
#  chirality for residue 13 atoms:  CA CG2 CG1 HB
 &rst iat=188,192,196,191, &end
#
#  chirality for residue 13 atoms:  CB CD1 HG12 HG13
 &rst iat=190,199,197,198, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=186,203,189,190, &end
#
#  chirality for residue 14 atoms:  CA SG HB2 HB3
 &rst iat=207,212,210,211, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=205,214,208,209, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=218,223,221,222, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=220,226,224,225, &end
#
#  chirality for residue 15 atoms:  CG NE HD2 HD3
 &rst iat=223,229,227,228, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=216,238,219,220, &end
#
#  chirality for residue 16 atoms:  CA OG HB2 HB3
 &rst iat=242,247,245,246, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=240,249,243,244, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=261,255,259,260, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=258,252,256,257, &end
#
#  chirality for residue 17 atoms:  CG N HD2 HD3
 &rst iat=255,251,253,254, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=251,263,262,258, &end
#
#  chirality for residue 18 atoms:  CA CG2 OG1 HB
 &rst iat=267,271,275,270, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=265,277,268,269, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=279,287,282,283, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=291,296,294,295, &end
#
#  chirality for residue 20 atoms:  CB CD HG2 HG3
 &rst iat=293,299,297,298, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=289,302,292,293, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=306,311,309,310, &end
#
#  chirality for residue 21 atoms:  CB CD HG2 HG3
 &rst iat=308,314,312,313, &end
#
#  chirality for residue 21 atoms:  CG NE HD2 HD3
 &rst iat=311,317,315,316, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=304,326,307,308, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=330,335,333,334, &end
#
#  chirality for residue 22 atoms:  CB CD1 CD2 HG
 &rst iat=332,337,341,336, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=328,345,331,332, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=349,354,352,353, &end
#
#  chirality for residue 23 atoms:  CB CD1 CD2 HG
 &rst iat=351,356,360,355, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=347,364,350,351, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=368,373,371,372, &end
#
#  chirality for residue 24 atoms:  CB CD HG2 HG3
 &rst iat=370,376,374,375, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=366,381,369,370, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=385,390,388,389, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=387,393,391,392, &end
#
#  chirality for residue 25 atoms:  CG NE HD2 HD3
 &rst iat=390,396,394,395, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=383,405,386,387, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=409,414,412,413, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=407,426,410,411, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=430,435,433,434, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=428,443,431,432, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=455,449,453,454, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=452,446,450,451, &end
#
#  chirality for residue 28 atoms:  CG N HD2 HD3
 &rst iat=449,445,447,448, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=445,457,456,452, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=461,466,464,465, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat=463,469,467,468, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=459,472,462,463, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=476,481,479,480, &end
#
#  chirality for residue 30 atoms:  CB CD1 CD2 HG
 &rst iat=478,483,487,482, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=474,491,477,478, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=495,500,498,499, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=497,503,501,502, &end
#
#  chirality for residue 31 atoms:  CD NZ HE2 HE3
 &rst iat=503,509,507,508, &end
#
#  chirality for residue 31 atoms:  CG CE HD2 HD3
 &rst iat=500,506,504,505, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=493,513,496,497, &end
#
#  chirality for residue 32 atoms:  CA CG1 CG2 HB
 &rst iat=517,521,525,520, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=515,529,518,519, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=533,538,536,537, &end
#
#  chirality for residue 33 atoms:  CB CD HG2 HG3
 &rst iat=535,541,539,540, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=531,544,534,535, &end
#
#  chirality for residue 34 atoms:  CA OG HB2 HB3
 &rst iat=548,553,551,552, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=546,555,549,550, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=557,565,560,561, &end
#
#  chirality for residue 36 atoms:  N C HA2 HA3
 &rst iat=567,572,570,571, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=576,581,579,580, &end
#
#  chirality for residue 37 atoms:  CB CD1 CD2 HG
 &rst iat=578,583,587,582, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=574,591,577,578, &end
#
#  chirality for residue 38 atoms:  N C HA2 HA3
 &rst iat=593,598,596,597, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=600,608,603,604, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=612,617,615,616, &end
#
#  chirality for residue 40 atoms:  CB CD1 CD2 HG
 &rst iat=614,619,623,618, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=610,627,613,614, &end
#
#  chirality for residue 41 atoms:  CA CG1 CG2 HB
 &rst iat=631,635,639,634, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=629,643,632,633, &end
#
#  chirality for residue 42 atoms:  N C HA2 HA3
 &rst iat=645,650,648,649, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=654,659,657,658, &end
#
#  chirality for residue 43 atoms:  CB CD HG2 HG3
 &rst iat=656,662,660,661, &end
#
#  chirality for residue 43 atoms:  CD NZ HE2 HE3
 &rst iat=662,668,666,667, &end
#
#  chirality for residue 43 atoms:  CG CE HD2 HD3
 &rst iat=659,665,663,664, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=652,672,655,656, &end
#
#  chirality for residue 44 atoms:  N C HA2 HA3
 &rst iat=674,679,677,678, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=681,689,684,685, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=693,698,696,697, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=691,701,694,695, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=713,707,711,712, &end
#
#  chirality for residue 47 atoms:  CB CD HG2 HG3
 &rst iat=710,704,708,709, &end
#
#  chirality for residue 47 atoms:  CG N HD2 HD3
 &rst iat=707,703,705,706, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=703,715,714,710, &end
#
#  chirality for residue 48 atoms:  CA CG2 OG1 HB
 &rst iat=719,723,727,722, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=717,729,720,721, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=731,739,734,735, &end
#
#  chirality for residue 50 atoms:  CA CG2 CG1 HB
 &rst iat=743,747,751,746, &end
#
#  chirality for residue 50 atoms:  CB CD1 HG12 HG13
 &rst iat=745,754,752,753, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=741,758,744,745, &end
#
#  chirality for residue 51 atoms:  CA OG HB2 HB3
 &rst iat=762,767,765,766, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=760,769,763,764, &end
#
#  chirality for residue 52 atoms:  CA CG1 CG2 HB
 &rst iat=773,777,781,776, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=771,785,774,775, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=787,795,790,791, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=797,805,800,801, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=809,814,812,813, &end
#
#  chirality for residue 55 atoms:  CB CD HG2 HG3
 &rst iat=811,817,815,816, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=807,820,810,811, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=824,829,827,828, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=822,837,825,826, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=841,846,844,845, &end
#
#  chirality for residue 57 atoms:  CB CD HG2 HG3
 &rst iat=843,849,847,848, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=839,854,842,843, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=858,863,861,862, &end
#
#  chirality for residue 58 atoms:  CB CD1 CD2 HG
 &rst iat=860,865,869,864, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=856,873,859,860, &end
#
#  chirality for residue 59 atoms:  CA OG HB2 HB3
 &rst iat=877,882,880,881, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=875,884,878,879, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=888,893,891,892, &end
#
#  chirality for residue 60 atoms:  CB CD1 CD2 HG
 &rst iat=890,895,899,894, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=886,903,889,890, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=907,912,910,911, &end
#
#  chirality for residue 61 atoms:  CB CD HG2 HG3
 &rst iat=909,915,913,914, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=905,918,908,909, &end
#
#  chirality for residue 62 atoms:  N C HA2 HA3
 &rst iat=920,925,923,924, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=929,934,932,933, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=927,942,930,931, &end
#
#  chirality for residue 64 atoms:  CA SG HB2 HB3
 &rst iat=946,951,949,950, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=944,953,947,948, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=955,963,958,959, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=967,972,970,971, &end
#
#  chirality for residue 66 atoms:  CB CD HG2 HG3
 &rst iat=969,975,973,974, &end
#
#  chirality for residue 66 atoms:  CG NE HD2 HD3
 &rst iat=972,978,976,977, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=965,987,968,969, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=991,996,994,995, &end
#
#  chirality for residue 67 atoms:  CB CD HG2 HG3
 &rst iat=993,999,997,998, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=989,1004,992,993, &end
#
#  chirality for residue 68 atoms:  CA CG2 CG1 HB
 &rst iat=1008,1012,1016,1011, &end
#
#  chirality for residue 68 atoms:  CB CD1 HG12 HG13
 &rst iat=1010,1019,1017,1018, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1006,1023,1009,1010, &end
#
#  chirality for residue 69 atoms:  CA OG HB2 HB3
 &rst iat=1027,1032,1030,1031, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1025,1034,1028,1029, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1038,1043,1041,1042, &end
#
#  chirality for residue 70 atoms:  CB CD HG2 HG3
 &rst iat=1040,1046,1044,1045, &end
#
#  chirality for residue 70 atoms:  CG NE HD2 HD3
 &rst iat=1043,1049,1047,1048, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1036,1058,1039,1040, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1062,1067,1065,1066, &end
#
#  chirality for residue 71 atoms:  CB CD HG2 HG3
 &rst iat=1064,1070,1068,1069, &end
#
#  chirality for residue 71 atoms:  CG NE HD2 HD3
 &rst iat=1067,1073,1071,1072, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1060,1082,1063,1064, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1086,1091,1089,1090, &end
#
#  chirality for residue 72 atoms:  CB CD1 CD2 HG
 &rst iat=1088,1093,1097,1092, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1084,1101,1087,1088, &end
#
#  chirality for residue 73 atoms:  CA SG HB2 HB3
 &rst iat=1105,1110,1108,1109, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1103,1112,1106,1107, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1116,1121,1119,1120, &end
#
#  chirality for residue 74 atoms:  CB CD HG2 HG3
 &rst iat=1118,1124,1122,1123, &end
#
#  chirality for residue 74 atoms:  CG NE HD2 HD3
 &rst iat=1121,1127,1125,1126, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1114,1136,1117,1118, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1140,1145,1143,1144, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1138,1150,1141,1142, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1154,1159,1157,1158, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1152,1171,1155,1156, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1175,1180,1178,1179, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1173,1183,1176,1177, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1187,1192,1190,1191, &end
#
#  chirality for residue 78 atoms:  CB CD1 CD2 HG
 &rst iat=1189,1194,1198,1193, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1185,1202,1188,1189, &end
#
#  chirality for residue 79 atoms:  CA CG2 CG1 HB
 &rst iat=1206,1210,1214,1209, &end
#
#  chirality for residue 79 atoms:  CB CD1 HG12 HG13
 &rst iat=1208,1217,1215,1216, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1204,1221,1207,1208, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1225,1230,1228,1229, &end
#
#  chirality for residue 80 atoms:  CB CD1 CD2 HG
 &rst iat=1227,1232,1236,1231, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1223,1240,1226,1227, &end
#
#  chirality for residue 81 atoms:  CA CG2 OG1 HB
 &rst iat=1244,1248,1252,1247, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1242,1254,1245,1246, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1258,1263,1261,1262, &end
#
#  chirality for residue 82 atoms:  CB SD HG2 HG3
 &rst iat=1260,1266,1264,1265, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1256,1271,1259,1260, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1275,1280,1278,1279, &end
#
#  chirality for residue 83 atoms:  CB CD HG2 HG3
 &rst iat=1277,1283,1281,1282, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1273,1286,1276,1277, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1290,1295,1293,1294, &end
#
#  chirality for residue 84 atoms:  CB CD HG2 HG3
 &rst iat=1292,1298,1296,1297, &end
#
#  chirality for residue 84 atoms:  CD NZ HE2 HE3
 &rst iat=1298,1304,1302,1303, &end
#
#  chirality for residue 84 atoms:  CG CE HD2 HD3
 &rst iat=1295,1301,1299,1300, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1288,1308,1291,1292, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1312,1317,1315,1316, &end
#
#  chirality for residue 85 atoms:  CB CD HG2 HG3
 &rst iat=1314,1320,1318,1319, &end
#
#  chirality for residue 85 atoms:  CG NE HD2 HD3
 &rst iat=1317,1323,1321,1322, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1310,1332,1313,1314, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1336,1341,1339,1340, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1334,1349,1337,1338, &end
#
#  chirality for residue 87 atoms:  CA CG2 CG1 HB
 &rst iat=1353,1357,1361,1356, &end
#
#  chirality for residue 87 atoms:  CB CD1 HG12 HG13
 &rst iat=1355,1364,1362,1363, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1351,1368,1354,1355, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1372,1377,1375,1376, &end
#
#  chirality for residue 88 atoms:  CB CD HG2 HG3
 &rst iat=1374,1380,1378,1379, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1370,1383,1373,1374, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1387,1392,1390,1391, &end
#
#  chirality for residue 89 atoms:  CB CD HG2 HG3
 &rst iat=1389,1395,1393,1394, &end
#
#  chirality for residue 89 atoms:  CG NE HD2 HD3
 &rst iat=1392,1398,1396,1397, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1385,1407,1388,1389, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1411,1416,1414,1415, &end
#
#  chirality for residue 90 atoms:  CB CD1 CD2 HG
 &rst iat=1413,1418,1422,1417, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1409,1426,1412,1413, &end
#
#  chirality for residue 91 atoms:  CA SG HB2 HB3
 &rst iat=1430,1435,1433,1434, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1428,1437,1431,1432, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1441,1446,1444,1445, &end
#
#  chirality for residue 92 atoms:  CB CD HG2 HG3
 &rst iat=1443,1449,1447,1448, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1439,1452,1442,1443, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1456,1461,1459,1460, &end
#
#  chirality for residue 93 atoms:  CB SD HG2 HG3
 &rst iat=1458,1464,1462,1463, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1454,1469,1457,1458, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1471,1479,1474,1475, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1491,1485,1489,1490, &end
#
#  chirality for residue 95 atoms:  CB CD HG2 HG3
 &rst iat=1488,1482,1486,1487, &end
#
#  chirality for residue 95 atoms:  CG N HD2 HD3
 &rst iat=1485,1481,1483,1484, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1481,1493,1492,1488, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1497,1502,1500,1501, &end
#
#  chirality for residue 96 atoms:  CB CD HG2 HG3
 &rst iat=1499,1505,1503,1504, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1495,1508,1498,1499, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1512,1517,1515,1516, &end
#
#  chirality for residue 97 atoms:  CB SD HG2 HG3
 &rst iat=1514,1520,1518,1519, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1510,1525,1513,1514, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1529,1534,1532,1533, &end
#
#  chirality for residue 98 atoms:  CB CD HG2 HG3
 &rst iat=1531,1537,1535,1536, &end
#
#  chirality for residue 98 atoms:  CG NE HD2 HD3
 &rst iat=1534,1540,1538,1539, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1527,1549,1530,1531, &end
#
#  chirality for residue 99 atoms:  N C HA2 HA3
 &rst iat=1551,1556,1554,1555, &end
#
#  chirality for residue 100 atoms:  CA CG HB2 HB3
 &rst iat=1560,1565,1563,1564, &end
#
#  chirality for residue 100 atoms:  CB CD HG2 HG3
 &rst iat=1562,1568,1566,1567, &end
#
#  chirality for residue 100 atoms:  CD NZ HE2 HE3
 &rst iat=1568,1574,1572,1573, &end
#
#  chirality for residue 100 atoms:  CG CE HD2 HD3
 &rst iat=1565,1571,1569,1570, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1558,1578,1561,1562, &end
#
#  chirality for residue 101 atoms:  CA CG1 CG2 HB
 &rst iat=1582,1586,1590,1585, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1580,1594,1583,1584, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1598,1603,1601,1602, &end
#
#  chirality for residue 102 atoms:  CB SD HG2 HG3
 &rst iat=1600,1606,1604,1605, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1596,1611,1599,1600, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1615,1620,1618,1619, &end
#
#  chirality for residue 103 atoms:  CB CD1 CD2 HG
 &rst iat=1617,1622,1626,1621, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1613,1630,1616,1617, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1634,1639,1637,1638, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1632,1650,1635,1636, &end
#
#  chirality for residue 105 atoms:  N C HA2 HA3
 &rst iat=1652,1657,1655,1656, &end
#
#  chirality for residue 106 atoms:  CA CG HB2 HB3
 &rst iat=1661,1666,1664,1665, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1659,1674,1662,1663, &end
#
#  chirality for residue 107 atoms:  CA CG HB2 HB3
 &rst iat=1678,1683,1681,1682, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1676,1698,1679,1680, &end
#
#  chirality for residue 108 atoms:  CA CG HB2 HB3
 &rst iat=1702,1707,1705,1706, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1700,1710,1703,1704, &end
#
#  chirality for residue 109 atoms:  CA CG HB2 HB3
 &rst iat=1714,1719,1717,1718, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1712,1724,1715,1716, &end
#
#  chirality for residue 110 atoms:  CA CG HB2 HB3
 &rst iat=1728,1733,1731,1732, &end
#
#  chirality for residue 110 atoms:  CB CD HG2 HG3
 &rst iat=1730,1736,1734,1735, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=1726,1739,1729,1730, &end
#
#  chirality for residue 111 atoms:  CA SG HB2 HB3
 &rst iat=1743,1748,1746,1747, &end
#
#  chirality for residue 111 atoms:  N C HA CB
 &rst iat=1741,1750,1744,1745, &end
#
#  chirality for residue 112 atoms:  CA CG HB2 HB3
 &rst iat=1754,1759,1757,1758, &end
#
#  chirality for residue 112 atoms:  CB CD HG2 HG3
 &rst iat=1756,1762,1760,1761, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=1752,1765,1755,1756, &end
#
#  chirality for residue 113 atoms:  CA CG2 CG1 HB
 &rst iat=1769,1773,1777,1772, &end
#
#  chirality for residue 113 atoms:  CB CD1 HG12 HG13
 &rst iat=1771,1780,1778,1779, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=1767,1784,1770,1771, &end
#
#  chirality for residue 114 atoms:  CA CG HB2 HB3
 &rst iat=1796,1790,1794,1795, &end
#
#  chirality for residue 114 atoms:  CB CD HG2 HG3
 &rst iat=1793,1787,1791,1792, &end
#
#  chirality for residue 114 atoms:  CG N HD2 HD3
 &rst iat=1790,1786,1788,1789, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=1786,1798,1797,1793, &end
#
#  chirality for residue 115 atoms:  CA CG HB2 HB3
 &rst iat=1802,1807,1805,1806, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1800,1810,1803,1804, &end
#
#  chirality for residue 116 atoms:  CA CG HB2 HB3
 &rst iat=1822,1816,1820,1821, &end
#
#  chirality for residue 116 atoms:  CB CD HG2 HG3
 &rst iat=1819,1813,1817,1818, &end
#
#  chirality for residue 116 atoms:  CG N HD2 HD3
 &rst iat=1816,1812,1814,1815, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=1812,1824,1823,1819, &end
#
#  chirality for residue 117 atoms:  CA CG HB2 HB3
 &rst iat=1828,1833,1831,1832, &end
#
#  chirality for residue 117 atoms:  N C HA CB
 &rst iat=1826,1845,1829,1830, &end
#
#  chirality for residue 118 atoms:  CA CG HB2 HB3
 &rst iat=1849,1854,1852,1853, &end
#
#  chirality for residue 118 atoms:  CB CD HG2 HG3
 &rst iat=1851,1857,1855,1856, &end
#
#  chirality for residue 118 atoms:  CG NE HD2 HD3
 &rst iat=1854,1860,1858,1859, &end
#
#  chirality for residue 118 atoms:  N C HA CB
 &rst iat=1847,1869,1850,1851, &end
#
#  chirality for residue 119 atoms:  CA CG HB2 HB3
 &rst iat=1873,1878,1876,1877, &end
#
#  chirality for residue 119 atoms:  CB CD HG2 HG3
 &rst iat=1875,1881,1879,1880, &end
#
#  chirality for residue 119 atoms:  CD NZ HE2 HE3
 &rst iat=1881,1887,1885,1886, &end
#
#  chirality for residue 119 atoms:  CG CE HD2 HD3
 &rst iat=1878,1884,1882,1883, &end
#
#  chirality for residue 119 atoms:  N C HA CB
 &rst iat=1871,1891,1874,1875, &end
#
#  chirality for residue 120 atoms:  CA OG HB2 HB3
 &rst iat=1895,1900,1898,1899, &end
#
#  chirality for residue 120 atoms:  N C HA CB
 &rst iat=1893,1902,1896,1897, &end
#
#  chirality for residue 121 atoms:  CA CG HB2 HB3
 &rst iat=1906,1911,1909,1910, &end
#
#  chirality for residue 121 atoms:  CB CD HG2 HG3
 &rst iat=1908,1914,1912,1913, &end
#
#  chirality for residue 121 atoms:  CG NE HD2 HD3
 &rst iat=1911,1917,1915,1916, &end
#
#  chirality for residue 121 atoms:  N C HA CB
 &rst iat=1904,1926,1907,1908, &end
#
#  chirality for residue 122 atoms:  CA CG HB2 HB3
 &rst iat=1930,1935,1933,1934, &end
#
#  chirality for residue 122 atoms:  CB CD HG2 HG3
 &rst iat=1932,1938,1936,1937, &end
#
#  chirality for residue 122 atoms:  N C HA CB
 &rst iat=1928,1941,1931,1932, &end
#
#  chirality for residue 123 atoms:  CA CG2 OG1 HB
 &rst iat=1945,1949,1953,1948, &end
#
#  chirality for residue 123 atoms:  N C HA CB
 &rst iat=1943,1955,1946,1947, &end
#
#  chirality for residue 124 atoms:  CA CG HB2 HB3
 &rst iat=1959,1964,1962,1963, &end
#
#  chirality for residue 124 atoms:  N C HA CB
 &rst iat=1957,1975,1960,1961, &end
#
#  chirality for residue 125 atoms:  N C HA CB
 &rst iat=1977,1985,1980,1981, &end
#
#  chirality for residue 126 atoms:  N C HA CB
 &rst iat=1987,1995,1990,1991, &end
#
#  chirality for residue 127 atoms:  CA CG1 CG2 HB
 &rst iat=1999,2003,2007,2002, &end
#
#  chirality for residue 127 atoms:  N C HA CB
 &rst iat=1997,2011,2000,2001, &end
#
#  chirality for residue 128 atoms:  CA CG HB2 HB3
 &rst iat=2015,2020,2018,2019, &end
#
#  chirality for residue 128 atoms:  N C HA CB
 &rst iat=2013,2032,2016,2017, &end
#
#  chirality for residue 129 atoms:  CA CG2 OG1 HB
 &rst iat=2036,2040,2044,2039, &end
#
#  chirality for residue 129 atoms:  N C HA CB
 &rst iat=2034,2046,2037,2038, &end
#
#  chirality for residue 130 atoms:  CA CG HB2 HB3
 &rst iat=2050,2055,2053,2054, &end
#
#  chirality for residue 130 atoms:  CB CD1 CD2 HG
 &rst iat=2052,2057,2061,2056, &end
#
#  chirality for residue 130 atoms:  N C HA CB
 &rst iat=2048,2065,2051,2052, &end
#
#  chirality for residue 131 atoms:  CA CG HB2 HB3
 &rst iat=2069,2074,2072,2073, &end
#
#  chirality for residue 131 atoms:  CB CD1 CD2 HG
 &rst iat=2071,2076,2080,2075, &end
#
#  chirality for residue 131 atoms:  N C HA CB
 &rst iat=2067,2084,2070,2071, &end
#
#  chirality for residue 132 atoms:  CA CG HB2 HB3
 &rst iat=2088,2093,2091,2092, &end
#
#  chirality for residue 132 atoms:  CB CD HG2 HG3
 &rst iat=2090,2096,2094,2095, &end
#
#  chirality for residue 132 atoms:  N C HA CB
 &rst iat=2086,2099,2089,2090, &end
#
#  chirality for residue 133 atoms:  CA CG HB2 HB3
 &rst iat=2103,2108,2106,2107, &end
#
#  chirality for residue 133 atoms:  CB CD HG2 HG3
 &rst iat=2105,2111,2109,2110, &end
#
#  chirality for residue 133 atoms:  CG NE HD2 HD3
 &rst iat=2108,2114,2112,2113, &end
#
#  chirality for residue 133 atoms:  N C HA CB
 &rst iat=2101,2123,2104,2105, &end
#
#  chirality for residue 134 atoms:  CA OG HB2 HB3
 &rst iat=2127,2132,2130,2131, &end
#
#  chirality for residue 134 atoms:  N C HA CB
 &rst iat=2125,2134,2128,2129, &end
#
#  chirality for residue 135 atoms:  N C HA CB
 &rst iat=2136,2144,2139,2140, &end
#
#  chirality for residue 136 atoms:  CA CG HB2 HB3
 &rst iat=2148,2153,2151,2152, &end
#
#  chirality for residue 136 atoms:  CB CD HG2 HG3
 &rst iat=2150,2156,2154,2155, &end
#
#  chirality for residue 136 atoms:  CG NE HD2 HD3
 &rst iat=2153,2159,2157,2158, &end
#
#  chirality for residue 136 atoms:  N C HA CB
 &rst iat=2146,2168,2149,2150, &end
#
#  chirality for residue 137 atoms:  CA CG HB2 HB3
 &rst iat=2172,2177,2175,2176, &end
#
#  chirality for residue 137 atoms:  CB CD HG2 HG3
 &rst iat=2174,2180,2178,2179, &end
#
#  chirality for residue 137 atoms:  N C HA CB
 &rst iat=2170,2185,2173,2174, &end
#
#  chirality for residue 138 atoms:  CA CG HB2 HB3
 &rst iat=2189,2194,2192,2193, &end
#
#  chirality for residue 138 atoms:  N C HA CB
 &rst iat=2187,2209,2190,2191, &end
#
#  chirality for residue 139 atoms:  N C HA CB
 &rst iat=2211,2219,2214,2215, &end
#
#  chirality for residue 140 atoms:  CA CG HB2 HB3
 &rst iat=2223,2228,2226,2227, &end
#
#  chirality for residue 140 atoms:  CB CD HG2 HG3
 &rst iat=2225,2231,2229,2230, &end
#
#  chirality for residue 140 atoms:  N C HA CB
 &rst iat=2221,2236,2224,2225, &end
#
#  chirality for residue 141 atoms:  N C HA CB
 &rst iat=2238,2246,2241,2242, &end
#
#  chirality for residue 142 atoms:  CA CG HB2 HB3
 &rst iat=2250,2255,2253,2254, &end
#
#  chirality for residue 142 atoms:  CB CD1 CD2 HG
 &rst iat=2252,2257,2261,2256, &end
#
#  chirality for residue 142 atoms:  N C HA CB
 &rst iat=2248,2265,2251,2252, &end
#
#  chirality for residue 143 atoms:  CA CG HB2 HB3
 &rst iat=2269,2274,2272,2273, &end
#
#  chirality for residue 143 atoms:  N C HA CB
 &rst iat=2267,2279,2270,2271, &end
#
#  chirality for residue 144 atoms:  N C HA CB
 &rst iat=2281,2289,2284,2285, &end
#
#  chirality for residue 145 atoms:  CA CG HB2 HB3
 &rst iat=2293,2298,2296,2297, &end
#
#  chirality for residue 145 atoms:  CB CD HG2 HG3
 &rst iat=2295,2301,2299,2300, &end
#
#  chirality for residue 145 atoms:  N C HA CB
 &rst iat=2291,2304,2294,2295, &end
#
#  chirality for residue 146 atoms:  CA CG HB2 HB3
 &rst iat=2308,2313,2311,2312, &end
#
#  chirality for residue 146 atoms:  CB CD HG2 HG3
 &rst iat=2310,2316,2314,2315, &end
#
#  chirality for residue 146 atoms:  N C HA CB
 &rst iat=2306,2321,2309,2310, &end
#
#  chirality for residue 147 atoms:  CA CG1 CG2 HB
 &rst iat=2325,2329,2333,2328, &end
#
#  chirality for residue 147 atoms:  N C HA CB
 &rst iat=2323,2337,2326,2327, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210.,  rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=42,40,38,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=56,54,52,42, &end
#
#  trans-omega constraint for residue 5
 &rst iat=70,68,66,56, &end
#
#  trans-omega constraint for residue 6
 &rst iat=89,87,85,70, &end
#
#  trans-omega constraint for residue 7
 &rst iat=108,106,104,89, &end
#
#  trans-omega constraint for residue 8
 &rst iat=124,122,120,108, &end
#
#  trans-omega constraint for residue 9
 &rst iat=140,138,136,124, &end
#
#  trans-omega constraint for residue 10
 &rst iat=151,149,147,140, &end
#
#  trans-omega constraint for residue 11
 &rst iat=167,165,163,151, &end
#
#  trans-omega constraint for residue 12
 &rst iat=174,172,170,167, &end
#
#  trans-omega constraint for residue 13
 &rst iat=188,186,184,174, &end
#
#  trans-omega constraint for residue 14
 &rst iat=207,205,203,188, &end
#
#  trans-omega constraint for residue 15
 &rst iat=218,216,214,207, &end
#
#  trans-omega constraint for residue 16
 &rst iat=242,240,238,218, &end
#
#  trans-omega constraint for residue 17
 &rst iat=261,251,249,242, &end
#
#  trans-omega constraint for residue 18
 &rst iat=267,265,263,261, &end
#
#  trans-omega constraint for residue 19
 &rst iat=281,279,277,267, &end
#
#  trans-omega constraint for residue 20
 &rst iat=291,289,287,281, &end
#
#  trans-omega constraint for residue 21
 &rst iat=306,304,302,291, &end
#
#  trans-omega constraint for residue 22
 &rst iat=330,328,326,306, &end
#
#  trans-omega constraint for residue 23
 &rst iat=349,347,345,330, &end
#
#  trans-omega constraint for residue 24
 &rst iat=368,366,364,349, &end
#
#  trans-omega constraint for residue 25
 &rst iat=385,383,381,368, &end
#
#  trans-omega constraint for residue 26
 &rst iat=409,407,405,385, &end
#
#  trans-omega constraint for residue 27
 &rst iat=430,428,426,409, &end
#
#  trans-omega constraint for residue 28
 &rst iat=455,445,443,430, &end
#
#  trans-omega constraint for residue 29
 &rst iat=461,459,457,455, &end
#
#  trans-omega constraint for residue 30
 &rst iat=476,474,472,461, &end
#
#  trans-omega constraint for residue 31
 &rst iat=495,493,491,476, &end
#
#  trans-omega constraint for residue 32
 &rst iat=517,515,513,495, &end
#
#  trans-omega constraint for residue 33
 &rst iat=533,531,529,517, &end
#
#  trans-omega constraint for residue 34
 &rst iat=548,546,544,533, &end
#
#  trans-omega constraint for residue 35
 &rst iat=559,557,555,548, &end
#
#  trans-omega constraint for residue 36
 &rst iat=569,567,565,559, &end
#
#  trans-omega constraint for residue 37
 &rst iat=576,574,572,569, &end
#
#  trans-omega constraint for residue 38
 &rst iat=595,593,591,576, &end
#
#  trans-omega constraint for residue 39
 &rst iat=602,600,598,595, &end
#
#  trans-omega constraint for residue 40
 &rst iat=612,610,608,602, &end
#
#  trans-omega constraint for residue 41
 &rst iat=631,629,627,612, &end
#
#  trans-omega constraint for residue 42
 &rst iat=647,645,643,631, &end
#
#  trans-omega constraint for residue 43
 &rst iat=654,652,650,647, &end
#
#  trans-omega constraint for residue 44
 &rst iat=676,674,672,654, &end
#
#  trans-omega constraint for residue 45
 &rst iat=683,681,679,676, &end
#
#  trans-omega constraint for residue 46
 &rst iat=693,691,689,683, &end
#
#  trans-omega constraint for residue 47
 &rst iat=713,703,701,693, &end
#
#  trans-omega constraint for residue 48
 &rst iat=719,717,715,713, &end
#
#  trans-omega constraint for residue 49
 &rst iat=733,731,729,719, &end
#
#  trans-omega constraint for residue 50
 &rst iat=743,741,739,733, &end
#
#  trans-omega constraint for residue 51
 &rst iat=762,760,758,743, &end
#
#  trans-omega constraint for residue 52
 &rst iat=773,771,769,762, &end
#
#  trans-omega constraint for residue 53
 &rst iat=789,787,785,773, &end
#
#  trans-omega constraint for residue 54
 &rst iat=799,797,795,789, &end
#
#  trans-omega constraint for residue 55
 &rst iat=809,807,805,799, &end
#
#  trans-omega constraint for residue 56
 &rst iat=824,822,820,809, &end
#
#  trans-omega constraint for residue 57
 &rst iat=841,839,837,824, &end
#
#  trans-omega constraint for residue 58
 &rst iat=858,856,854,841, &end
#
#  trans-omega constraint for residue 59
 &rst iat=877,875,873,858, &end
#
#  trans-omega constraint for residue 60
 &rst iat=888,886,884,877, &end
#
#  trans-omega constraint for residue 61
 &rst iat=907,905,903,888, &end
#
#  trans-omega constraint for residue 62
 &rst iat=922,920,918,907, &end
#
#  trans-omega constraint for residue 63
 &rst iat=929,927,925,922, &end
#
#  trans-omega constraint for residue 64
 &rst iat=946,944,942,929, &end
#
#  trans-omega constraint for residue 65
 &rst iat=957,955,953,946, &end
#
#  trans-omega constraint for residue 66
 &rst iat=967,965,963,957, &end
#
#  trans-omega constraint for residue 67
 &rst iat=991,989,987,967, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1008,1006,1004,991, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1027,1025,1023,1008, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1038,1036,1034,1027, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1062,1060,1058,1038, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1086,1084,1082,1062, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1105,1103,1101,1086, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1116,1114,1112,1105, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1140,1138,1136,1116, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1154,1152,1150,1140, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1175,1173,1171,1154, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1187,1185,1183,1175, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1206,1204,1202,1187, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1225,1223,1221,1206, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1244,1242,1240,1225, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1258,1256,1254,1244, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1275,1273,1271,1258, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1290,1288,1286,1275, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1312,1310,1308,1290, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1336,1334,1332,1312, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1353,1351,1349,1336, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1372,1370,1368,1353, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1387,1385,1383,1372, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1411,1409,1407,1387, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1430,1428,1426,1411, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1441,1439,1437,1430, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1456,1454,1452,1441, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1473,1471,1469,1456, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1491,1481,1479,1473, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1497,1495,1493,1491, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1512,1510,1508,1497, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1529,1527,1525,1512, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1553,1551,1549,1529, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1560,1558,1556,1553, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1582,1580,1578,1560, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1598,1596,1594,1582, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1615,1613,1611,1598, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1634,1632,1630,1615, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1654,1652,1650,1634, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1661,1659,1657,1654, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1678,1676,1674,1661, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1702,1700,1698,1678, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1714,1712,1710,1702, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1728,1726,1724,1714, &end
#
#  trans-omega constraint for residue 111
 &rst iat=1743,1741,1739,1728, &end
#
#  trans-omega constraint for residue 112
 &rst iat=1754,1752,1750,1743, &end
#
#  trans-omega constraint for residue 113
 &rst iat=1769,1767,1765,1754, &end
#
#  trans-omega constraint for residue 114
 &rst iat=1796,1786,1784,1769, &end
#
#  trans-omega constraint for residue 115
 &rst iat=1802,1800,1798,1796, &end
#
#  trans-omega constraint for residue 116
 &rst iat=1822,1812,1810,1802, &end
#
#  trans-omega constraint for residue 117
 &rst iat=1828,1826,1824,1822, &end
#
#  trans-omega constraint for residue 118
 &rst iat=1849,1847,1845,1828, &end
#
#  trans-omega constraint for residue 119
 &rst iat=1873,1871,1869,1849, &end
#
#  trans-omega constraint for residue 120
 &rst iat=1895,1893,1891,1873, &end
#
#  trans-omega constraint for residue 121
 &rst iat=1906,1904,1902,1895, &end
#
#  trans-omega constraint for residue 122
 &rst iat=1930,1928,1926,1906, &end
#
#  trans-omega constraint for residue 123
 &rst iat=1945,1943,1941,1930, &end
#
#  trans-omega constraint for residue 124
 &rst iat=1959,1957,1955,1945, &end
#
#  trans-omega constraint for residue 125
 &rst iat=1979,1977,1975,1959, &end
#
#  trans-omega constraint for residue 126
 &rst iat=1989,1987,1985,1979, &end
#
#  trans-omega constraint for residue 127
 &rst iat=1999,1997,1995,1989, &end
#
#  trans-omega constraint for residue 128
 &rst iat=2015,2013,2011,1999, &end
#
#  trans-omega constraint for residue 129
 &rst iat=2036,2034,2032,2015, &end
#
#  trans-omega constraint for residue 130
 &rst iat=2050,2048,2046,2036, &end
#
#  trans-omega constraint for residue 131
 &rst iat=2069,2067,2065,2050, &end
#
#  trans-omega constraint for residue 132
 &rst iat=2088,2086,2084,2069, &end
#
#  trans-omega constraint for residue 133
 &rst iat=2103,2101,2099,2088, &end
#
#  trans-omega constraint for residue 134
 &rst iat=2127,2125,2123,2103, &end
#
#  trans-omega constraint for residue 135
 &rst iat=2138,2136,2134,2127, &end
#
#  trans-omega constraint for residue 136
 &rst iat=2148,2146,2144,2138, &end
#
#  trans-omega constraint for residue 137
 &rst iat=2172,2170,2168,2148, &end
#
#  trans-omega constraint for residue 138
 &rst iat=2189,2187,2185,2172, &end
#
#  trans-omega constraint for residue 139
 &rst iat=2213,2211,2209,2189, &end
#
#  trans-omega constraint for residue 140
 &rst iat=2223,2221,2219,2213, &end
#
#  trans-omega constraint for residue 141
 &rst iat=2240,2238,2236,2223, &end
#
#  trans-omega constraint for residue 142
 &rst iat=2250,2248,2246,2240, &end
#
#  trans-omega constraint for residue 143
 &rst iat=2269,2267,2265,2250, &end
#
#  trans-omega constraint for residue 144
 &rst iat=2283,2281,2279,2269, &end
#
#  trans-omega constraint for residue 145
 &rst iat=2293,2291,2289,2283, &end
#
#  trans-omega constraint for residue 146
 &rst iat=2308,2306,2304,2293, &end
#
#  trans-omega constraint for residue 147
 &rst iat=2325,2323,2321,2308, &end
********************************************************************
angles rdc
********************************************************************
# N angles for residue 4
 &rst   iat= 55, 54, 52, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 55, 54, 56, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 5
 &rst   iat= 69, 68, 66, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 69, 68, 70, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 6
 &rst   iat= 88, 87, 85, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 88, 87, 89, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 7
 &rst   iat= 107, 106, 104, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 107, 106, 108, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 8
 &rst   iat= 123, 122, 120, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 123, 122, 124, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 9
 &rst   iat= 139, 138, 136, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 139, 138, 140, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 10
 &rst   iat= 150, 149, 147, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 150, 149, 151, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 11
 &rst   iat= 166, 165, 163, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 166, 165, 167, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 12
 &rst   iat= 173, 172, 170, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 173, 172, 174, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 15
 &rst   iat= 217, 216, 214, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 217, 216, 218, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 16
 &rst   iat= 241, 240, 238, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 241, 240, 242, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 18
 &rst   iat= 266, 265, 263, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 266, 265, 267, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 19
 &rst   iat= 280, 279, 277, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 280, 279, 281, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 20
 &rst   iat= 290, 289, 287, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 290, 289, 291, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 24
 &rst   iat= 367, 366, 364, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 367, 366, 368, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 26
 &rst   iat= 408, 407, 405, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 408, 407, 409, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 29
 &rst   iat= 460, 459, 457, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 460, 459, 461, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 31
 &rst   iat= 494, 493, 491, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 494, 493, 495, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 32
 &rst   iat= 516, 515, 513, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 516, 515, 517, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 33
 &rst   iat= 532, 531, 529, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 532, 531, 533, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 34
 &rst   iat= 547, 546, 544, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 547, 546, 548, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 35
 &rst   iat= 558, 557, 555, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 558, 557, 559, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 36
 &rst   iat= 568, 567, 565, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 568, 567, 569, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 37
 &rst   iat= 575, 574, 572, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 575, 574, 576, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 38
 &rst   iat= 594, 593, 591, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 594, 593, 595, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 39
 &rst   iat= 601, 600, 598, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 601, 600, 602, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 40
 &rst   iat= 611, 610, 608, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 611, 610, 612, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 41
 &rst   iat= 630, 629, 627, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 630, 629, 631, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 42
 &rst   iat= 646, 645, 643, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 646, 645, 647, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 43
 &rst   iat= 653, 652, 650, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 653, 652, 654, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 44
 &rst   iat= 675, 674, 672, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 675, 674, 676, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 45
 &rst   iat= 682, 681, 679, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 682, 681, 683, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 46
 &rst   iat= 692, 691, 689, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 692, 691, 693, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 48
 &rst   iat= 718, 717, 715, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 718, 717, 719, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 49
 &rst   iat= 732, 731, 729, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 732, 731, 733, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 52
 &rst   iat= 772, 771, 769, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 772, 771, 773, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 53
 &rst   iat= 788, 787, 785, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 788, 787, 789, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 54
 &rst   iat= 798, 797, 795, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 798, 797, 799, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 55
 &rst   iat= 808, 807, 805, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 808, 807, 809, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 57
 &rst   iat= 840, 839, 837, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 840, 839, 841, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 58
 &rst   iat= 857, 856, 854, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 857, 856, 858, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 60
 &rst   iat= 887, 886, 884, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 887, 886, 888, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 61
 &rst   iat= 906, 905, 903, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 906, 905, 907, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 62
 &rst   iat= 921, 920, 918, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 921, 920, 922, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 64
 &rst   iat= 945, 944, 942, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 945, 944, 946, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 65
 &rst   iat= 956, 955, 953, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 956, 955, 957, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 66
 &rst   iat= 966, 965, 963, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 966, 965, 967, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 67
 &rst   iat= 990, 989, 987, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 990, 989, 991, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 68
 &rst   iat= 1007, 1006, 1004, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1007, 1006, 1008, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 69
 &rst   iat= 1026, 1025, 1023, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1026, 1025, 1027, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 71
 &rst   iat= 1061, 1060, 1058, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1061, 1060, 1062, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 74
 &rst   iat= 1115, 1114, 1112, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1115, 1114, 1116, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 76
 &rst   iat= 1153, 1152, 1150, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1153, 1152, 1154, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 77
 &rst   iat= 1174, 1173, 1171, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1174, 1173, 1175, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 79
 &rst   iat= 1205, 1204, 1202, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1205, 1204, 1206, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 81
 &rst   iat= 1243, 1242, 1240, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1243, 1242, 1244, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 82
 &rst   iat= 1257, 1256, 1254, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1257, 1256, 1258, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 83
 &rst   iat= 1274, 1273, 1271, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1274, 1273, 1275, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 84
 &rst   iat= 1289, 1288, 1286, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1289, 1288, 1290, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 85
 &rst   iat= 1311, 1310, 1308, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1311, 1310, 1312, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 86
 &rst   iat= 1335, 1334, 1332, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1335, 1334, 1336, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 87
 &rst   iat= 1352, 1351, 1349, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1352, 1351, 1353, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 88
 &rst   iat= 1371, 1370, 1368, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1371, 1370, 1372, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 89
 &rst   iat= 1386, 1385, 1383, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1386, 1385, 1387, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 91
 &rst   iat= 1429, 1428, 1426, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1429, 1428, 1430, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 93
 &rst   iat= 1455, 1454, 1452, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1455, 1454, 1456, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 94
 &rst   iat= 1472, 1471, 1469, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1472, 1471, 1473, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 96
 &rst   iat= 1496, 1495, 1493, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1496, 1495, 1497, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 101
 &rst   iat= 1581, 1580, 1578, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1581, 1580, 1582, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 102
 &rst   iat= 1597, 1596, 1594, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1597, 1596, 1598, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 103
 &rst   iat= 1614, 1613, 1611, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1614, 1613, 1615, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 104
 &rst   iat= 1633, 1632, 1630, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1633, 1632, 1634, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 105
 &rst   iat= 1653, 1652, 1650, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1653, 1652, 1654, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 107
 &rst   iat= 1677, 1676, 1674, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1677, 1676, 1678, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 108
 &rst   iat= 1701, 1700, 1698, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1701, 1700, 1702, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 109
 &rst   iat= 1713, 1712, 1710, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1713, 1712, 1714, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 110
 &rst   iat= 1727, 1726, 1724, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1727, 1726, 1728, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 111
 &rst   iat= 1742, 1741, 1739, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1742, 1741, 1743, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 112
 &rst   iat= 1753, 1752, 1750, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1753, 1752, 1754, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 113
 &rst   iat= 1768, 1767, 1765, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1768, 1767, 1769, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 118
 &rst   iat= 1848, 1847, 1845, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1848, 1847, 1849, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 119
 &rst   iat= 1872, 1871, 1869, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1872, 1871, 1873, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 120
 &rst   iat= 1894, 1893, 1891, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1894, 1893, 1895, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 121
 &rst   iat= 1905, 1904, 1902, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1905, 1904, 1906, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 122
 &rst   iat= 1929, 1928, 1926, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1929, 1928, 1930, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 123
 &rst   iat= 1944, 1943, 1941, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1944, 1943, 1945, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 124
 &rst   iat= 1958, 1957, 1955, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1958, 1957, 1959, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 127
 &rst   iat= 1998, 1997, 1995, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1998, 1997, 1999, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 128
 &rst   iat= 2014, 2013, 2011, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 2014, 2013, 2015, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 129
 &rst   iat= 2035, 2034, 2032, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 2035, 2034, 2036, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 132
 &rst   iat= 2087, 2086, 2084, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 2087, 2086, 2088, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 133
 &rst   iat= 2102, 2101, 2099, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 2102, 2101, 2103, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 135
 &rst   iat= 2137, 2136, 2134, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 2137, 2136, 2138, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 136
 &rst   iat= 2147, 2146, 2144, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 2147, 2146, 2148, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 138
 &rst   iat= 2188, 2187, 2185, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 2188, 2187, 2189, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 139
 &rst   iat= 2212, 2211, 2209, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 2212, 2211, 2213, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 141
 &rst   iat= 2239, 2238, 2236, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 2239, 2238, 2240, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    MET   1           H        MET   1  -3.947  10.778 -14.774
    2    HA   MET   1           HA       MET   1  -4.131  11.327 -12.456
    3   1HB   MET   1          1HB       MET   1  -6.041  12.872 -12.660
    4   2HB   MET   1          2HB       MET   1  -7.116  11.533 -13.065
    5   1HG   MET   1          1HG       MET   1  -7.400  12.199 -10.758
    6   2HG   MET   1          2HG       MET   1  -6.773  10.557 -10.828
    7   1HE   MET   1          1HE       MET   1  -6.937  12.528  -8.271
    8   2HE   MET   1          2HE       MET   1  -6.349  10.854  -8.136
    9   3HE   MET   1          3HE       MET   1  -5.392  12.192  -7.470
   10    H    PHE   2           H        PHE   2  -3.420   9.322 -11.809
   11    HA   PHE   2           HA       PHE   2  -4.796   6.888 -12.689
   12   1HB   PHE   2          1HB       PHE   2  -2.947   5.765 -11.444
   13   2HB   PHE   2          2HB       PHE   2  -2.491   6.718 -12.833
   14    HD1  PHE   2           HD1      PHE   2  -2.157   6.375  -9.196
   15    HD2  PHE   2           HD2      PHE   2  -1.193   8.823 -12.611
   16    HE1  PHE   2           HE1      PHE   2  -0.439   7.557  -7.864
   17    HE2  PHE   2           HE2      PHE   2   0.514  10.018 -11.267
   18    HZ   PHE   2           HZ       PHE   2   0.900   9.390  -8.890
   19    H    ASN   3           H        ASN   3  -6.768   7.833 -11.616
   20    HA   ASN   3           HA       ASN   3  -6.963   8.220  -8.837
   21   1HB   ASN   3          1HB       ASN   3  -8.593   9.071 -10.514
   22   2HB   ASN   3          2HB       ASN   3  -9.142   7.422 -10.811
   23   1HD2  ASN   3          2HD2      ASN   3  -8.966   9.979  -8.251
   24   2HD2  ASN   3          1HD2      ASN   3 -10.327   9.362  -7.341
   25    H    ASN   4           H        ASN   4  -6.726   5.161 -10.468
   26    HA   ASN   4           HA       ASN   4  -8.216   3.746  -8.294
   27   1HB   ASN   4          1HB       ASN   4  -7.797   3.075 -11.230
   28   2HB   ASN   4          2HB       ASN   4  -8.245   1.869 -10.039
   29   1HD2  ASN   4          2HD2      ASN   4 -10.432   1.466  -9.917
   30   2HD2  ASN   4          1HD2      ASN   4 -11.668   2.641 -10.270
   31    H    ILE   5           H        ILE   5  -6.772   2.979  -6.834
   32    HA   ILE   5           HA       ILE   5  -4.175   1.870  -7.822
   33    HB   ILE   5           HB       ILE   5  -4.793   3.691  -5.481
   34   1HG1  ILE   5          1HG1      ILE   5  -2.456   4.149  -7.323
   35   2HG1  ILE   5          2HG1      ILE   5  -4.055   4.423  -8.011
   36   1HG2  ILE   5          1HG2      ILE   5  -3.261   2.010  -4.554
   37   2HG2  ILE   5          2HG2      ILE   5  -2.163   2.207  -5.934
   38   3HG2  ILE   5          3HG2      ILE   5  -2.408   3.528  -4.770
   39   1HD1  ILE   5          1HD1      ILE   5  -4.606   5.962  -6.219
   40   2HD1  ILE   5          2HD1      ILE   5  -2.994   5.727  -5.485
   41   3HD1  ILE   5          3HD1      ILE   5  -3.148   6.477  -7.087
   42    H    LEU   6           H        LEU   6  -3.473  -0.008  -6.841
   43    HA   LEU   6           HA       LEU   6  -5.123  -1.100  -4.582
   44   1HB   LEU   6          1HB       LEU   6  -5.576  -2.319  -6.664
   45   2HB   LEU   6          2HB       LEU   6  -3.852  -2.589  -6.916
   46    HG   LEU   6           HG       LEU   6  -3.785  -3.964  -4.826
   47   1HD1  LEU   6          1HD1      LEU   6  -6.003  -4.717  -3.875
   48   2HD1  LEU   6          2HD1      LEU   6  -5.626  -3.030  -3.551
   49   3HD1  LEU   6          3HD1      LEU   6  -6.795  -3.453  -4.826
   50   1HD2  LEU   6          1HD2      LEU   6  -4.959  -5.901  -5.754
   51   2HD2  LEU   6          2HD2      LEU   6  -5.907  -4.852  -6.828
   52   3HD2  LEU   6          3HD2      LEU   6  -4.157  -4.999  -7.052
   53    H    VAL   7           H        VAL   7  -3.867  -1.202  -2.776
   54    HA   VAL   7           HA       VAL   7  -0.949  -1.129  -3.145
   55    HB   VAL   7           HB       VAL   7  -2.334  -0.866  -0.474
   56   1HG1  VAL   7          1HG1      VAL   7   0.340   0.023  -1.680
   57   2HG1  VAL   7          2HG1      VAL   7  -0.216   0.483  -0.078
   58   3HG1  VAL   7          3HG1      VAL   7   0.088  -1.216  -0.430
   59   1HG2  VAL   7          1HG2      VAL   7  -3.375   0.882  -1.848
   60   2HG2  VAL   7          2HG2      VAL   7  -2.203   1.606  -0.753
   61   3HG2  VAL   7          3HG2      VAL   7  -1.784   1.386  -2.466
   62    H    VAL   8           H        VAL   8   0.420  -2.767  -2.334
   63    HA   VAL   8           HA       VAL   8  -0.947  -5.263  -1.487
   64    HB   VAL   8           HB       VAL   8   1.292  -5.169  -3.519
   65   1HG1  VAL   8          1HG1      VAL   8   0.395  -7.372  -4.145
   66   2HG1  VAL   8          2HG1      VAL   8   0.784  -7.345  -2.428
   67   3HG1  VAL   8          3HG1      VAL   8  -0.911  -7.210  -2.955
   68   1HG2  VAL   8          1HG2      VAL   8  -0.461  -3.847  -4.592
   69   2HG2  VAL   8          2HG2      VAL   8  -0.377  -5.436  -5.325
   70   3HG2  VAL   8          3HG2      VAL   8  -1.680  -5.065  -4.163
   71    H    CYS   9           H        CYS   9   0.074  -6.460   0.073
   72    HA   CYS   9           HA       CYS   9   2.998  -6.228   0.353
   73   1HB   CYS   9          1HB       CYS   9   3.034  -5.931   2.725
   74   2HB   CYS   9          2HB       CYS   9   2.162  -4.590   1.978
   75    HG   CYS   9           HG       CYS   9  -0.206  -5.474   2.433
   76    H    VAL  10           H        VAL  10   3.388  -8.118   2.493
   77    HA   VAL  10           HA       VAL  10   2.861 -10.469   0.850
   78    HB   VAL  10           HB       VAL  10   4.075 -10.290   3.643
   79   1HG1  VAL  10          1HG1      VAL  10   5.062 -12.493   3.085
   80   2HG1  VAL  10          2HG1      VAL  10   3.300 -12.578   3.079
   81   3HG1  VAL  10          3HG1      VAL  10   4.185 -12.505   1.540
   82   1HG2  VAL  10          1HG2      VAL  10   5.413 -10.331   0.913
   83   2HG2  VAL  10          2HG2      VAL  10   5.438  -8.993   2.089
   84   3HG2  VAL  10          3HG2      VAL  10   6.256 -10.507   2.470
   85    H    GLY  11           H        GLY  11   2.087  -9.818   4.342
   86   1HA   GLY  11          1HA       GLY  11   0.057 -11.900   4.254
   87   2HA   GLY  11          2HA       GLY  11   0.574 -10.952   5.654
   88    H    ASN  12           H        ASN  12  -0.037  -8.583   3.573
   89    HA   ASN  12           HA       ASN  12  -1.723  -7.305   2.817
   90   1HB   ASN  12          1HB       ASN  12  -2.876  -9.505   2.261
   91   2HB   ASN  12          2HB       ASN  12  -3.795  -9.305   3.753
   92   1HD2  ASN  12          2HD2      ASN  12  -3.816  -6.144   3.176
   93   2HD2  ASN  12          1HD2      ASN  12  -5.032  -6.086   1.907
   94    H    ILE  13           H        ILE  13  -2.629  -8.842   5.919
   95    HA   ILE  13           HA       ILE  13  -4.495  -7.000   6.741
   96    HB   ILE  13           HB       ILE  13  -4.218  -7.993   8.979
   97   1HG1  ILE  13          1HG1      ILE  13  -1.805  -9.485   7.837
   98   2HG1  ILE  13          2HG1      ILE  13  -1.697  -8.124   8.950
   99   1HG2  ILE  13          1HG2      ILE  13  -4.842 -10.241   8.352
  100   2HG2  ILE  13          2HG2      ILE  13  -5.475  -9.129   7.145
  101   3HG2  ILE  13          3HG2      ILE  13  -4.032 -10.102   6.779
  102   1HD1  ILE  13          1HD1      ILE  13  -2.961 -10.827   9.549
  103   2HD1  ILE  13          2HD1      ILE  13  -1.457 -10.164  10.204
  104   3HD1  ILE  13          3HD1      ILE  13  -3.016  -9.427  10.637
  105    H    CYS  14           H        CYS  14  -1.320  -5.964   6.432
  106    HA   CYS  14           HA       CYS  14  -1.593  -4.071   8.732
  107   1HB   CYS  14          1HB       CYS  14   0.920  -4.307   8.954
  108   2HB   CYS  14          2HB       CYS  14  -0.053  -5.697   9.458
  109    HG   CYS  14           HG       CYS  14   2.107  -6.612   8.348
  110    H    ARG  15           H        ARG  15   0.786  -4.364   5.996
  111    HA   ARG  15           HA       ARG  15   0.957  -1.496   6.023
  112   1HB   ARG  15          1HB       ARG  15   2.118  -3.541   4.086
  113   2HB   ARG  15          2HB       ARG  15   2.474  -1.813   4.057
  114   1HG   ARG  15          1HG       ARG  15   3.330  -1.921   6.372
  115   2HG   ARG  15          2HG       ARG  15   3.038  -3.660   6.422
  116   1HD   ARG  15          1HD       ARG  15   4.891  -2.281   4.432
  117   2HD   ARG  15          2HD       ARG  15   5.414  -2.973   5.969
  118    HE   ARG  15           HE       ARG  15   4.088  -5.061   4.727
  119   1HH1  ARG  15          1HH2      ARG  15   7.108  -3.275   4.247
  120   2HH1  ARG  15          2HH2      ARG  15   7.729  -4.426   3.125
  121   1HH2  ARG  15          1HH1      ARG  15   5.245  -6.684   3.597
  122   2HH2  ARG  15          2HH1      ARG  15   6.608  -6.247   2.581
  123    H    SER  16           H        SER  16  -0.635  -3.756   3.664
  124    HA   SER  16           HA       SER  16  -1.336  -1.799   1.833
  125   1HB   SER  16          1HB       SER  16  -3.081  -4.179   2.503
  126   2HB   SER  16          2HB       SER  16  -2.965  -3.294   0.972
  127    HG   SER  16           HG       SER  16  -1.778  -5.173   0.842
  128    HA   PRO  17           HA       PRO  17  -5.466  -0.764   3.944
  129   1HB   PRO  17          1HB       PRO  17  -5.883  -1.261   6.634
  130   2HB   PRO  17          2HB       PRO  17  -6.397  -2.323   5.296
  131   1HG   PRO  17          1HG       PRO  17  -3.910  -2.544   7.006
  132   2HG   PRO  17          2HG       PRO  17  -5.046  -3.845   6.534
  133   1HD   PRO  17          1HD       PRO  17  -2.726  -3.484   5.202
  134   2HD   PRO  17          2HD       PRO  17  -4.228  -3.902   4.331
  135    H    THR  18           H        THR  18  -2.485  -0.606   5.947
  136    HA   THR  18           HA       THR  18  -3.128   1.907   7.207
  137    HB   THR  18           HB       THR  18  -0.424   0.650   6.567
  138    HG1  THR  18           1HG      THR  18  -1.433  -0.750   7.863
  139   1HG2  THR  18          1HG2      THR  18  -1.230   2.779   8.595
  140   2HG2  THR  18          2HG2      THR  18   0.362   1.981   8.519
  141   3HG2  THR  18          3HG2      THR  18  -0.172   3.014   7.189
  142    H    ALA  19           H        ALA  19  -1.306   1.011   4.217
  143    HA   ALA  19           HA       ALA  19  -0.782   3.680   3.372
  144   1HB   ALA  19          1HB       ALA  19  -0.572   2.518   1.112
  145   2HB   ALA  19          2HB       ALA  19   0.448   1.869   2.422
  146   3HB   ALA  19          3HB       ALA  19  -1.039   1.016   1.933
  147    H    GLU  20           H        GLU  20  -3.486   1.415   2.558
  148    HA   GLU  20           HA       GLU  20  -4.832   2.975   0.680
  149   1HB   GLU  20          1HB       GLU  20  -5.456   0.664   1.278
  150   2HB   GLU  20          2HB       GLU  20  -5.911   1.184   2.898
  151   1HG   GLU  20          1HG       GLU  20  -7.701   2.661   1.791
  152   2HG   GLU  20          2HG       GLU  20  -7.336   1.782   0.304
  153    H    ARG  21           H        ARG  21  -5.279   2.987   4.261
  154    HA   ARG  21           HA       ARG  21  -7.202   5.117   4.087
  155   1HB   ARG  21          1HB       ARG  21  -5.614   4.007   6.456
  156   2HB   ARG  21          2HB       ARG  21  -6.973   5.135   6.597
  157   1HG   ARG  21          1HG       ARG  21  -7.185   2.387   5.337
  158   2HG   ARG  21          2HG       ARG  21  -7.591   2.760   7.007
  159   1HD   ARG  21          1HD       ARG  21  -9.466   4.000   6.462
  160   2HD   ARG  21          2HD       ARG  21  -8.928   4.368   4.828
  161    HE   ARG  21           HE       ARG  21  -9.343   2.139   4.083
  162   1HH1  ARG  21          1HH2      ARG  21 -10.615   2.659   7.393
  163   2HH1  ARG  21          2HH2      ARG  21 -11.616   1.230   7.284
  164   1HH2  ARG  21          1HH1      ARG  21 -10.456   0.313   4.090
  165   2HH2  ARG  21          2HH1      ARG  21 -11.507  -0.146   5.442
  166    H    LEU  22           H        LEU  22  -3.675   5.129   4.653
  167    HA   LEU  22           HA       LEU  22  -3.538   7.907   5.343
  168   1HB   LEU  22          1HB       LEU  22  -1.593   5.962   4.052
  169   2HB   LEU  22          2HB       LEU  22  -1.185   7.655   4.295
  170    HG   LEU  22           HG       LEU  22  -2.067   5.928   6.631
  171   1HD1  LEU  22          1HD1      LEU  22  -0.138   4.841   5.631
  172   2HD1  LEU  22          2HD1      LEU  22   0.726   6.378   5.501
  173   3HD1  LEU  22          3HD1      LEU  22   0.381   5.678   7.105
  174   1HD2  LEU  22          1HD2      LEU  22  -0.775   7.657   7.897
  175   2HD2  LEU  22          2HD2      LEU  22  -0.515   8.548   6.382
  176   3HD2  LEU  22          3HD2      LEU  22  -2.151   8.349   7.034
  177    H    LEU  23           H        LEU  23  -3.451   6.215   2.147
  178    HA   LEU  23           HA       LEU  23  -3.144   8.618   0.631
  179   1HB   LEU  23          1HB       LEU  23  -4.008   5.794   0.038
  180   2HB   LEU  23          2HB       LEU  23  -4.590   7.029  -1.042
  181    HG   LEU  23           HG       LEU  23  -2.668   6.106  -2.021
  182   1HD1  LEU  23          1HD1      LEU  23  -1.675   8.773  -0.942
  183   2HD1  LEU  23          2HD1      LEU  23  -1.321   7.998  -2.491
  184   3HD1  LEU  23          3HD1      LEU  23  -2.945   8.621  -2.179
  185   1HD2  LEU  23          1HD2      LEU  23  -1.157   6.735   0.537
  186   2HD2  LEU  23          2HD2      LEU  23  -1.557   5.130  -0.111
  187   3HD2  LEU  23          3HD2      LEU  23  -0.420   6.176  -0.981
  188    H    GLN  24           H        GLN  24  -6.123   6.899   1.775
  189    HA   GLN  24           HA       GLN  24  -7.902   8.731   0.502
  190   1HB   GLN  24          1HB       GLN  24  -8.321   6.998   2.979
  191   2HB   GLN  24          2HB       GLN  24  -9.568   7.963   2.184
  192   1HG   GLN  24          1HG       GLN  24  -8.747   6.673   0.008
  193   2HG   GLN  24          2HG       GLN  24  -8.203   5.476   1.191
  194   1HE2  GLN  24          2HE2      GLN  24 -10.949   7.052  -0.315
  195   2HE2  GLN  24          1HE2      GLN  24 -12.191   6.038   0.390
  196    H    ARG  25           H        ARG  25  -6.290   8.859   3.714
  197    HA   ARG  25           HA       ARG  25  -7.718  11.041   4.749
  198   1HB   ARG  25          1HB       ARG  25  -5.948   9.519   5.854
  199   2HB   ARG  25          2HB       ARG  25  -4.727  10.596   5.162
  200   1HG   ARG  25          1HG       ARG  25  -5.753  12.508   6.414
  201   2HG   ARG  25          2HG       ARG  25  -6.978  11.391   7.059
  202   1HD   ARG  25          1HD       ARG  25  -5.025   9.996   7.961
  203   2HD   ARG  25          2HD       ARG  25  -3.978  11.378   7.582
  204    HE   ARG  25           HE       ARG  25  -6.016  12.491   9.056
  205   1HH1  ARG  25          1HH2      ARG  25  -3.666   9.883   9.693
  206   2HH1  ARG  25          2HH2      ARG  25  -3.938   9.929  11.417
  207   1HH2  ARG  25          1HH1      ARG  25  -6.247  12.536  11.385
  208   2HH2  ARG  25          2HH1      ARG  25  -5.329  11.409  12.343
  209    H    TYR  26           H        TYR  26  -4.878  10.996   2.575
  210    HA   TYR  26           HA       TYR  26  -4.944  13.915   2.376
  211   1HB   TYR  26          1HB       TYR  26  -3.089  11.824   1.208
  212   2HB   TYR  26          2HB       TYR  26  -2.912  13.563   0.976
  213    HD1  TYR  26           HD1      TYR  26  -3.145  14.983   3.296
  214    HD2  TYR  26           HD2      TYR  26  -1.695  10.932   2.937
  215    HE1  TYR  26           HE1      TYR  26  -1.947  15.228   5.440
  216    HE2  TYR  26           HE2      TYR  26  -0.458  11.186   5.071
  217    HH   TYR  26           HH       TYR  26   0.268  12.736   6.728
  218    H    HIS  27           H        HIS  27  -6.396  11.332   0.518
  219    HA   HIS  27           HA       HIS  27  -7.472  13.377  -1.297
  220   1HB   HIS  27          1HB       HIS  27  -5.639  11.167  -2.188
  221   2HB   HIS  27          2HB       HIS  27  -7.104  11.467  -3.128
  222    HD1  HIS  27           HD1      HIS  27  -7.548  14.187  -3.664
  223    HD2  HIS  27           HD2      HIS  27  -3.675  12.577  -3.324
  224    HE1  HIS  27           HE1      HIS  27  -5.982  15.772  -4.963
  225    HA   PRO  28           HA       PRO  28 -10.614  10.555   0.531
  226   1HB   PRO  28          1HB       PRO  28 -12.248  12.986  -0.214
  227   2HB   PRO  28          2HB       PRO  28 -12.385  11.938   1.233
  228   1HG   PRO  28          1HG       PRO  28 -11.140  14.339   1.404
  229   2HG   PRO  28          2HG       PRO  28 -10.421  12.900   2.202
  230   1HD   PRO  28          1HD       PRO  28  -9.661  14.153  -0.447
  231   2HD   PRO  28          2HD       PRO  28  -8.608  13.550   0.869
  232    H    GLU  29           H        GLU  29 -10.439  12.223  -2.601
  233    HA   GLU  29           HA       GLU  29 -12.728  10.700  -3.678
  234   1HB   GLU  29          1HB       GLU  29 -12.486  12.044  -5.648
  235   2HB   GLU  29          2HB       GLU  29 -12.558  13.071  -4.230
  236   1HG   GLU  29          1HG       GLU  29  -9.899  12.321  -5.527
  237   2HG   GLU  29          2HG       GLU  29 -10.893  13.634  -6.133
  238    H    LEU  30           H        LEU  30  -9.621   9.809  -3.062
  239    HA   LEU  30           HA       LEU  30  -8.917   8.664  -5.654
  240   1HB   LEU  30          1HB       LEU  30  -7.352   9.468  -3.762
  241   2HB   LEU  30          2HB       LEU  30  -7.770   7.977  -2.927
  242    HG   LEU  30           HG       LEU  30  -6.877   6.746  -5.007
  243   1HD1  LEU  30          1HD1      LEU  30  -5.340   8.096  -6.466
  244   2HD1  LEU  30          2HD1      LEU  30  -7.013   8.616  -6.633
  245   3HD1  LEU  30          3HD1      LEU  30  -5.887   9.575  -5.657
  246   1HD2  LEU  30          1HD2      LEU  30  -5.085   8.592  -3.360
  247   2HD2  LEU  30          2HD2      LEU  30  -5.595   6.936  -2.969
  248   3HD2  LEU  30          3HD2      LEU  30  -4.484   7.224  -4.309
  249    H    LYS  31           H        LYS  31  -9.235   6.513  -6.300
  250    HA   LYS  31           HA       LYS  31 -10.947   4.832  -4.526
  251   1HB   LYS  31          1HB       LYS  31 -11.777   5.110  -6.831
  252   2HB   LYS  31          2HB       LYS  31 -10.236   4.588  -7.483
  253   1HG   LYS  31          1HG       LYS  31 -11.891   2.798  -7.602
  254   2HG   LYS  31          2HG       LYS  31 -10.535   2.336  -6.588
  255   1HD   LYS  31          1HD       LYS  31 -12.637   1.557  -5.645
  256   2HD   LYS  31          2HD       LYS  31 -11.893   2.726  -4.554
  257   1HE   LYS  31          1HE       LYS  31 -13.416   4.502  -5.424
  258   2HE   LYS  31          2HE       LYS  31 -14.123   3.341  -6.556
  259   1HZ   LYS  31          1HZ       LYS  31 -14.926   2.069  -4.653
  260   2HZ   LYS  31          2HZ       LYS  31 -14.271   3.136  -3.601
  261   3HZ   LYS  31          3HZ       LYS  31 -15.485   3.595  -4.584
  262    H    VAL  32           H        VAL  32  -9.454   4.075  -3.037
  263    HA   VAL  32           HA       VAL  32  -7.122   2.629  -4.156
  264    HB   VAL  32           HB       VAL  32  -6.280   4.696  -3.303
  265   1HG1  VAL  32          1HG1      VAL  32  -7.546   4.005  -0.635
  266   2HG1  VAL  32          2HG1      VAL  32  -6.398   5.322  -0.924
  267   3HG1  VAL  32          3HG1      VAL  32  -7.980   5.355  -1.710
  268   1HG2  VAL  32          1HG2      VAL  32  -5.582   2.425  -1.411
  269   2HG2  VAL  32          2HG2      VAL  32  -4.920   2.667  -3.034
  270   3HG2  VAL  32          3HG2      VAL  32  -4.592   3.859  -1.767
  271    H    GLU  33           H        GLU  33  -6.767   0.649  -3.358
  272    HA   GLU  33           HA       GLU  33  -8.530  -0.352  -1.173
  273   1HB   GLU  33          1HB       GLU  33  -9.402  -0.579  -3.659
  274   2HB   GLU  33          2HB       GLU  33  -8.163  -1.811  -3.806
  275   1HG   GLU  33          1HG       GLU  33 -10.290  -2.851  -3.293
  276   2HG   GLU  33          2HG       GLU  33  -9.214  -3.061  -1.934
  277    H    SER  34           H        SER  34  -7.760  -2.795  -0.749
  278    HA   SER  34           HA       SER  34  -4.773  -2.810  -0.715
  279   1HB   SER  34          1HB       SER  34  -5.163  -3.514   1.742
  280   2HB   SER  34          2HB       SER  34  -5.391  -1.809   1.321
  281    HG   SER  34           HG       SER  34  -7.499  -1.963   1.537
  282    H    ALA  35           H        ALA  35  -3.832  -4.756  -1.085
  283    HA   ALA  35           HA       ALA  35  -5.349  -7.265  -0.623
  284   1HB   ALA  35          1HB       ALA  35  -5.813  -6.728  -2.945
  285   2HB   ALA  35          2HB       ALA  35  -4.075  -6.473  -3.274
  286   3HB   ALA  35          3HB       ALA  35  -4.704  -8.088  -2.875
  287    H    GLY  36           H        GLY  36  -3.711  -9.186  -1.133
  288   1HA   GLY  36          1HA       GLY  36  -0.914  -8.331  -0.687
  289   2HA   GLY  36          2HA       GLY  36  -1.611  -9.463   0.461
  290    H    LEU  37           H        LEU  37   0.724  -9.808  -1.036
  291    HA   LEU  37           HA       LEU  37   0.303 -11.416  -3.410
  292   1HB   LEU  37          1HB       LEU  37   2.641 -10.688  -1.627
  293   2HB   LEU  37          2HB       LEU  37   2.827 -12.015  -2.758
  294    HG   LEU  37           HG       LEU  37   1.957  -9.237  -3.637
  295   1HD1  LEU  37          1HD1      LEU  37   4.208  -9.130  -2.656
  296   2HD1  LEU  37          2HD1      LEU  37   4.734 -10.499  -3.663
  297   3HD1  LEU  37          3HD1      LEU  37   4.283  -8.950  -4.416
  298   1HD2  LEU  37          1HD2      LEU  37   2.726 -10.084  -5.878
  299   2HD2  LEU  37          2HD2      LEU  37   2.964 -11.687  -5.164
  300   3HD2  LEU  37          3HD2      LEU  37   1.342 -10.976  -5.258
  301    H    GLY  38           H        GLY  38   0.570 -12.114   0.040
  302   1HA   GLY  38          1HA       GLY  38  -0.144 -14.950  -0.522
  303   2HA   GLY  38          2HA       GLY  38   1.197 -14.583   0.600
  304    H    ALA  39           H        ALA  39  -2.084 -13.324  -0.178
  305    HA   ALA  39           HA       ALA  39  -2.314 -11.968   2.333
  306   1HB   ALA  39          1HB       ALA  39  -3.472 -11.283   0.215
  307   2HB   ALA  39          2HB       ALA  39  -4.501 -12.731   0.371
  308   3HB   ALA  39          3HB       ALA  39  -4.584 -11.442   1.583
  309    H    LEU  40           H        LEU  40  -3.940 -12.247   3.888
  310    HA   LEU  40           HA       LEU  40  -4.519 -15.089   4.593
  311   1HB   LEU  40          1HB       LEU  40  -4.470 -12.499   6.202
  312   2HB   LEU  40          2HB       LEU  40  -4.884 -14.086   6.859
  313    HG   LEU  40           HG       LEU  40  -2.175 -13.433   5.604
  314   1HD1  LEU  40          1HD1      LEU  40  -2.511 -12.063   7.583
  315   2HD1  LEU  40          2HD1      LEU  40  -2.950 -13.495   8.544
  316   3HD1  LEU  40          3HD1      LEU  40  -1.305 -13.315   7.893
  317   1HD2  LEU  40          1HD2      LEU  40  -3.106 -15.799   7.292
  318   2HD2  LEU  40          2HD2      LEU  40  -2.665 -15.836   5.570
  319   3HD2  LEU  40          3HD2      LEU  40  -1.431 -15.489   6.781
  320    H    VAL  41           H        VAL  41  -6.017 -14.655   2.617
  321    HA   VAL  41           HA       VAL  41  -7.909 -12.709   2.496
  322    HB   VAL  41           HB       VAL  41  -7.353 -14.098   0.667
  323   1HG1  VAL  41          1HG1      VAL  41  -8.819 -16.424   1.972
  324   2HG1  VAL  41          2HG1      VAL  41  -8.128 -16.391   0.339
  325   3HG1  VAL  41          3HG1      VAL  41  -7.062 -16.298   1.743
  326   1HG2  VAL  41          1HG2      VAL  41  -9.566 -12.977   0.624
  327   2HG2  VAL  41          2HG2      VAL  41  -9.515 -14.449  -0.360
  328   3HG2  VAL  41          3HG2      VAL  41 -10.319 -14.468   1.222
  329    H    GLY  42           H        GLY  42  -9.725 -12.098   3.430
  330   1HA   GLY  42          1HA       GLY  42 -11.845 -12.496   4.410
  331   2HA   GLY  42          2HA       GLY  42 -11.288 -14.034   5.061
  332    H    LYS  43           H        LYS  43  -8.675 -12.675   6.096
  333    HA   LYS  43           HA       LYS  43  -9.768 -12.007   8.692
  334   1HB   LYS  43          1HB       LYS  43  -6.940 -11.725   7.575
  335   2HB   LYS  43          2HB       LYS  43  -7.403 -11.370   9.242
  336   1HG   LYS  43          1HG       LYS  43  -8.365 -13.761   9.351
  337   2HG   LYS  43          2HG       LYS  43  -7.483 -14.067   7.844
  338   1HD   LYS  43          1HD       LYS  43  -5.363 -13.360   9.015
  339   2HD   LYS  43          2HD       LYS  43  -6.301 -13.146  10.505
  340   1HE   LYS  43          1HE       LYS  43  -7.028 -15.549  10.345
  341   2HE   LYS  43          2HE       LYS  43  -5.969 -15.752   8.946
  342   1HZ   LYS  43          1HZ       LYS  43  -5.078 -15.033  11.682
  343   2HZ   LYS  43          2HZ       LYS  43  -4.911 -16.491  10.985
  344   3HZ   LYS  43          3HZ       LYS  43  -4.081 -15.219  10.397
  345    H    GLY  44           H        GLY  44  -9.615 -10.030   9.842
  346   1HA   GLY  44          1HA       GLY  44 -10.116  -7.632   8.252
  347   2HA   GLY  44          2HA       GLY  44 -10.131  -7.778  10.011
  348    H    ALA  45           H        ALA  45  -8.974  -5.600   9.602
  349    HA   ALA  45           HA       ALA  45  -6.170  -5.648   8.839
  350   1HB   ALA  45          1HB       ALA  45  -7.848  -3.654  10.426
  351   2HB   ALA  45          2HB       ALA  45  -6.136  -3.419  10.004
  352   3HB   ALA  45          3HB       ALA  45  -7.356  -3.537   8.728
  353    H    ASP  46           H        ASP  46  -4.369  -5.577  10.260
  354    HA   ASP  46           HA       ASP  46  -4.512  -7.477  12.377
  355   1HB   ASP  46          1HB       ASP  46  -2.513  -7.040  10.947
  356   2HB   ASP  46          2HB       ASP  46  -2.280  -5.497  11.770
  357    HA   PRO  47           HA       PRO  47  -5.808  -4.781  15.750
  358   1HB   PRO  47          1HB       PRO  47  -3.985  -6.564  17.374
  359   2HB   PRO  47          2HB       PRO  47  -5.631  -5.976  17.770
  360   1HG   PRO  47          1HG       PRO  47  -5.277  -8.489  16.822
  361   2HG   PRO  47          2HG       PRO  47  -6.622  -7.480  16.196
  362   1HD   PRO  47          1HD       PRO  47  -3.943  -8.045  14.918
  363   2HD   PRO  47          2HD       PRO  47  -5.571  -7.979  14.174
  364    H    THR  48           H        THR  48  -2.328  -5.462  15.209
  365    HA   THR  48           HA       THR  48  -1.486  -3.323  17.019
  366    HB   THR  48           HB       THR  48   0.393  -4.446  14.995
  367    HG1  THR  48           1HG      THR  48  -0.695  -6.248  15.380
  368   1HG2  THR  48          1HG2      THR  48   0.524  -4.091  18.022
  369   2HG2  THR  48          2HG2      THR  48   1.866  -4.638  16.991
  370   3HG2  THR  48          3HG2      THR  48   1.207  -3.006  16.787
  371    H    ALA  49           H        ALA  49  -1.932  -3.866  13.505
  372    HA   ALA  49           HA       ALA  49  -0.898  -1.337  12.627
  373   1HB   ALA  49          1HB       ALA  49  -2.119  -1.836  10.561
  374   2HB   ALA  49          2HB       ALA  49  -1.248  -3.272  11.129
  375   3HB   ALA  49          3HB       ALA  49  -3.003  -3.149  11.367
  376    H    ILE  50           H        ILE  50  -4.190  -2.496  13.524
  377    HA   ILE  50           HA       ILE  50  -5.567  -0.033  13.199
  378    HB   ILE  50           HB       ILE  50  -5.989  -2.350  15.107
  379   1HG1  ILE  50          1HG1      ILE  50  -7.580  -1.636  12.603
  380   2HG1  ILE  50          2HG1      ILE  50  -6.209  -2.736  12.560
  381   1HG2  ILE  50          1HG2      ILE  50  -7.917  -0.061  14.504
  382   2HG2  ILE  50          2HG2      ILE  50  -8.314  -1.506  15.456
  383   3HG2  ILE  50          3HG2      ILE  50  -7.124  -0.377  16.061
  384   1HD1  ILE  50          1HD1      ILE  50  -8.256  -4.021  12.663
  385   2HD1  ILE  50          2HD1      ILE  50  -7.359  -4.245  14.174
  386   3HD1  ILE  50          3HD1      ILE  50  -8.788  -3.184  14.118
  387    H    SER  51           H        SER  51  -3.768  -1.361  16.066
  388    HA   SER  51           HA       SER  51  -4.404   0.755  17.798
  389   1HB   SER  51          1HB       SER  51  -1.876  -0.948  17.745
  390   2HB   SER  51          2HB       SER  51  -2.427   0.066  19.085
  391    HG   SER  51           HG       SER  51  -3.768  -2.190  17.968
  392    H    VAL  52           H        VAL  52  -1.421   0.465  15.686
  393    HA   VAL  52           HA       VAL  52  -0.543   3.062  16.502
  394    HB   VAL  52           HB       VAL  52   1.070   2.969  14.700
  395   1HG1  VAL  52          1HG1      VAL  52   2.301   1.027  15.519
  396   2HG1  VAL  52          2HG1      VAL  52   1.454   1.805  16.858
  397   3HG1  VAL  52          3HG1      VAL  52   0.819   0.299  16.154
  398   1HG2  VAL  52          1HG2      VAL  52   1.303   1.078  13.195
  399   2HG2  VAL  52          2HG2      VAL  52  -0.173   0.337  13.836
  400   3HG2  VAL  52          3HG2      VAL  52  -0.260   1.850  12.917
  401    H    ALA  53           H        ALA  53  -2.748   2.037  13.860
  402    HA   ALA  53           HA       ALA  53  -2.790   4.612  12.592
  403   1HB   ALA  53          1HB       ALA  53  -4.848   3.807  11.543
  404   2HB   ALA  53          2HB       ALA  53  -3.624   2.527  11.533
  405   3HB   ALA  53          3HB       ALA  53  -4.959   2.475  12.710
  406    H    ALA  54           H        ALA  54  -4.751   3.175  15.267
  407    HA   ALA  54           HA       ALA  54  -6.475   5.430  15.549
  408   1HB   ALA  54          1HB       ALA  54  -7.023   3.176  16.410
  409   2HB   ALA  54          2HB       ALA  54  -5.681   3.285  17.575
  410   3HB   ALA  54          3HB       ALA  54  -7.068   4.386  17.709
  411    H    GLU  55           H        GLU  55  -3.265   4.647  16.985
  412    HA   GLU  55           HA       GLU  55  -3.193   6.870  18.763
  413   1HB   GLU  55          1HB       GLU  55  -1.043   5.203  17.422
  414   2HB   GLU  55          2HB       GLU  55  -0.646   6.572  18.466
  415   1HG   GLU  55          1HG       GLU  55  -1.871   5.589  20.336
  416   2HG   GLU  55          2HG       GLU  55  -2.417   4.250  19.336
  417    H    HIS  56           H        HIS  56  -3.109   6.854  15.296
  418    HA   HIS  56           HA       HIS  56  -2.491   9.775  15.321
  419   1HB   HIS  56          1HB       HIS  56  -2.066   7.720  13.125
  420   2HB   HIS  56          2HB       HIS  56  -1.899   9.464  12.909
  421    HD1  HIS  56           HD1      HIS  56   0.149  10.649  14.432
  422    HD2  HIS  56           HD2      HIS  56   0.042   6.463  14.065
  423    HE1  HIS  56           HE1      HIS  56   2.445   9.814  15.141
  424    H    GLN  57           H        GLN  57  -5.020   8.008  15.732
  425    HA   GLN  57           HA       GLN  57  -7.199   8.015  15.190
  426   1HB   GLN  57          1HB       GLN  57  -6.659  10.988  14.751
  427   2HB   GLN  57          2HB       GLN  57  -8.232  10.244  15.032
  428   1HG   GLN  57          1HG       GLN  57  -7.641  11.111  17.117
  429   2HG   GLN  57          2HG       GLN  57  -7.355   9.385  17.257
  430   1HE2  GLN  57          2HE2      GLN  57  -5.306   8.750  17.993
  431   2HE2  GLN  57          1HE2      GLN  57  -3.914   9.812  18.087
  432    H    LEU  58           H        LEU  58  -5.883   6.902  13.217
  433    HA   LEU  58           HA       LEU  58  -7.647   7.602  10.904
  434   1HB   LEU  58          1HB       LEU  58  -5.184   7.806  10.437
  435   2HB   LEU  58          2HB       LEU  58  -4.988   6.108  10.884
  436    HG   LEU  58           HG       LEU  58  -6.313   5.395   8.986
  437   1HD1  LEU  58          1HD1      LEU  58  -8.003   7.042   8.670
  438   2HD1  LEU  58          2HD1      LEU  58  -6.822   8.375   8.597
  439   3HD1  LEU  58          3HD1      LEU  58  -6.968   7.232   7.257
  440   1HD2  LEU  58          1HD2      LEU  58  -3.888   5.854   8.737
  441   2HD2  LEU  58          2HD2      LEU  58  -4.760   6.130   7.234
  442   3HD2  LEU  58          3HD2      LEU  58  -4.253   7.513   8.217
  443    H    SER  59           H        SER  59  -8.874   5.796  10.141
  444    HA   SER  59           HA       SER  59  -9.008   3.609  12.148
  445   1HB   SER  59          1HB       SER  59 -11.219   4.858  10.480
  446   2HB   SER  59          2HB       SER  59 -11.404   3.651  11.763
  447    HG   SER  59           HG       SER  59 -11.798   5.794  12.495
  448    H    LEU  60           H        LEU  60  -8.030   1.816  11.210
  449    HA   LEU  60           HA       LEU  60  -8.279   1.217   8.363
  450   1HB   LEU  60          1HB       LEU  60  -7.343  -0.682  10.528
  451   2HB   LEU  60          2HB       LEU  60  -7.002  -0.742   8.808
  452    HG   LEU  60           HG       LEU  60  -5.870   1.159  10.871
  453   1HD1  LEU  60          1HD1      LEU  60  -3.735   0.172  10.206
  454   2HD1  LEU  60          2HD1      LEU  60  -4.872  -1.103  10.681
  455   3HD1  LEU  60          3HD1      LEU  60  -4.535  -0.806   8.962
  456   1HD2  LEU  60          1HD2      LEU  60  -6.228   2.564   8.922
  457   2HD2  LEU  60          2HD2      LEU  60  -4.516   2.174   9.036
  458   3HD2  LEU  60          3HD2      LEU  60  -5.536   1.324   7.850
  459    H    GLU  61           H        GLU  61 -10.838   1.474   9.830
  460    HA   GLU  61           HA       GLU  61 -11.813  -1.078  10.656
  461   1HB   GLU  61          1HB       GLU  61 -13.173   1.544   9.914
  462   2HB   GLU  61          2HB       GLU  61 -14.076   0.145  10.494
  463   1HG   GLU  61          1HG       GLU  61 -11.803   1.432  12.067
  464   2HG   GLU  61          2HG       GLU  61 -13.493   1.882  12.241
  465    H    GLY  62           H        GLY  62 -13.104  -2.597   9.655
  466   1HA   GLY  62          1HA       GLY  62 -14.290  -3.663   8.051
  467   2HA   GLY  62          2HA       GLY  62 -14.495  -2.107   7.226
  468    H    HIS  63           H        HIS  63 -11.149  -2.836   7.560
  469    HA   HIS  63           HA       HIS  63 -10.733  -3.451   4.780
  470   1HB   HIS  63          1HB       HIS  63  -8.909  -2.540   6.107
  471   2HB   HIS  63          2HB       HIS  63  -9.042  -3.866   7.272
  472    HD1  HIS  63           HD1      HIS  63  -8.129  -3.520   3.465
  473    HD2  HIS  63           HD2      HIS  63  -7.510  -5.944   6.855
  474    HE1  HIS  63           HE1      HIS  63  -6.691  -5.434   2.725
  475    H    CYS  64           H        CYS  64 -10.551  -5.455   3.766
  476    HA   CYS  64           HA       CYS  64 -10.640  -7.908   5.431
  477   1HB   CYS  64          1HB       CYS  64 -12.912  -7.433   4.420
  478   2HB   CYS  64          2HB       CYS  64 -12.158  -7.516   2.812
  479    HG   CYS  64           HG       CYS  64 -13.468  -9.728   3.318
  480    H    ALA  65           H        ALA  65  -8.915  -9.168   4.933
  481    HA   ALA  65           HA       ALA  65  -7.018  -8.389   2.962
  482   1HB   ALA  65          1HB       ALA  65  -7.397 -10.932   4.581
  483   2HB   ALA  65          2HB       ALA  65  -5.964 -10.609   3.578
  484   3HB   ALA  65          3HB       ALA  65  -6.334  -9.564   4.968
  485    H    ARG  66           H        ARG  66  -6.404  -9.382   1.042
  486    HA   ARG  66           HA       ARG  66  -8.370 -11.146  -0.373
  487   1HB   ARG  66          1HB       ARG  66  -7.551  -8.277  -1.063
  488   2HB   ARG  66          2HB       ARG  66  -8.210  -9.389  -2.268
  489   1HG   ARG  66          1HG       ARG  66 -10.282  -9.596  -1.122
  490   2HG   ARG  66          2HG       ARG  66  -9.676  -8.753   0.307
  491   1HD   ARG  66          1HD       ARG  66  -9.892  -7.389  -2.391
  492   2HD   ARG  66          2HD       ARG  66 -11.203  -7.429  -1.202
  493    HE   ARG  66           HE       ARG  66  -8.528  -6.433  -0.354
  494   1HH1  ARG  66          1HH2      ARG  66 -11.904  -5.553  -1.166
  495   2HH1  ARG  66          2HH2      ARG  66 -11.713  -3.963  -0.461
  496   1HH2  ARG  66          1HH1      ARG  66  -8.465  -4.397   0.688
  497   2HH2  ARG  66          2HH1      ARG  66  -9.848  -3.324   0.518
  498    H    GLN  67           H        GLN  67  -7.093 -12.670  -1.375
  499    HA   GLN  67           HA       GLN  67  -4.273 -12.311  -1.891
  500   1HB   GLN  67          1HB       GLN  67  -5.307 -14.531  -1.562
  501   2HB   GLN  67          2HB       GLN  67  -6.342 -14.284  -2.972
  502   1HG   GLN  67          1HG       GLN  67  -4.410 -15.756  -3.453
  503   2HG   GLN  67          2HG       GLN  67  -4.439 -14.324  -4.466
  504   1HE2  GLN  67          2HE2      GLN  67  -2.357 -13.588  -4.801
  505   2HE2  GLN  67          1HE2      GLN  67  -1.060 -13.697  -3.597
  506    H    ILE  68           H        ILE  68  -3.406 -11.046  -3.366
  507    HA   ILE  68           HA       ILE  68  -5.008  -9.844  -5.446
  508    HB   ILE  68           HB       ILE  68  -3.016  -8.751  -4.430
  509   1HG1  ILE  68          1HG1      ILE  68  -2.820  -9.046  -7.454
  510   2HG1  ILE  68          2HG1      ILE  68  -4.130  -8.180  -6.649
  511   1HG2  ILE  68          1HG2      ILE  68  -1.518 -10.844  -4.543
  512   2HG2  ILE  68          2HG2      ILE  68  -1.283 -10.460  -6.251
  513   3HG2  ILE  68          3HG2      ILE  68  -0.777  -9.306  -5.005
  514   1HD1  ILE  68          1HD1      ILE  68  -2.561  -6.616  -5.647
  515   2HD1  ILE  68          2HD1      ILE  68  -1.196  -7.464  -6.400
  516   3HD1  ILE  68          3HD1      ILE  68  -2.388  -6.638  -7.416
  517    H    SER  69           H        SER  69  -5.031 -10.343  -7.622
  518    HA   SER  69           HA       SER  69  -3.887 -12.923  -8.521
  519   1HB   SER  69          1HB       SER  69  -6.183 -13.514  -9.331
  520   2HB   SER  69          2HB       SER  69  -6.123 -13.342  -7.558
  521    HG   SER  69           HG       SER  69  -7.880 -12.222  -8.260
  522    H    ARG  70           H        ARG  70  -4.197 -13.003 -11.028
  523    HA   ARG  70           HA       ARG  70  -3.199 -10.592 -12.148
  524   1HB   ARG  70          1HB       ARG  70  -2.949 -12.959 -13.032
  525   2HB   ARG  70          2HB       ARG  70  -4.587 -12.829 -13.691
  526   1HG   ARG  70          1HG       ARG  70  -3.869 -10.933 -15.119
  527   2HG   ARG  70          2HG       ARG  70  -2.269 -10.950 -14.348
  528   1HD   ARG  70          1HD       ARG  70  -1.986 -13.329 -15.140
  529   2HD   ARG  70          2HD       ARG  70  -3.486 -13.143 -16.075
  530    HE   ARG  70           HE       ARG  70  -1.913 -10.981 -16.831
  531   1HH1  ARG  70          1HH2      ARG  70  -1.602 -14.524 -17.029
  532   2HH1  ARG  70          2HH2      ARG  70  -0.486 -14.478 -18.344
  533   1HH2  ARG  70          1HH1      ARG  70  -0.342 -10.909 -18.368
  534   2HH2  ARG  70          2HH1      ARG  70   0.198 -12.346 -19.213
  535    H    ARG  71           H        ARG  71  -6.569 -11.849 -11.964
  536    HA   ARG  71           HA       ARG  71  -7.712  -9.759 -13.513
  537   1HB   ARG  71          1HB       ARG  71  -9.830 -10.318 -12.440
  538   2HB   ARG  71          2HB       ARG  71  -8.982 -11.728 -13.075
  539   1HG   ARG  71          1HG       ARG  71  -8.279 -12.361 -10.808
  540   2HG   ARG  71          2HG       ARG  71  -9.122 -10.956 -10.128
  541   1HD   ARG  71          1HD       ARG  71 -10.441 -13.198 -11.709
  542   2HD   ARG  71          2HD       ARG  71 -10.383 -13.103  -9.941
  543    HE   ARG  71           HE       ARG  71 -11.476 -10.682 -10.735
  544   1HH1  ARG  71          1HH2      ARG  71 -12.370 -14.098 -11.080
  545   2HH1  ARG  71          2HH2      ARG  71 -14.066 -13.798 -11.142
  546   1HH2  ARG  71          1HH1      ARG  71 -13.739 -10.273 -10.833
  547   2HH2  ARG  71          2HH1      ARG  71 -14.856 -11.571 -10.993
  548    H    LEU  72           H        LEU  72  -7.053  -9.848  -9.922
  549    HA   LEU  72           HA       LEU  72  -8.115  -7.230  -9.522
  550   1HB   LEU  72          1HB       LEU  72  -6.322  -9.079  -7.988
  551   2HB   LEU  72          2HB       LEU  72  -6.114  -7.346  -7.694
  552    HG   LEU  72           HG       LEU  72  -8.492  -7.082  -7.264
  553   1HD1  LEU  72          1HD1      LEU  72  -9.949  -9.023  -6.796
  554   2HD1  LEU  72          2HD1      LEU  72  -9.460  -8.983  -8.492
  555   3HD1  LEU  72          3HD1      LEU  72  -8.676 -10.118  -7.370
  556   1HD2  LEU  72          1HD2      LEU  72  -7.215  -9.217  -5.495
  557   2HD2  LEU  72          2HD2      LEU  72  -6.884  -7.469  -5.401
  558   3HD2  LEU  72          3HD2      LEU  72  -8.496  -8.086  -5.019
  559    H    CYS  73           H        CYS  73  -4.817  -8.330 -10.516
  560    HA   CYS  73           HA       CYS  73  -3.692  -5.746 -10.369
  561   1HB   CYS  73          1HB       CYS  73  -2.998  -7.985 -12.344
  562   2HB   CYS  73          2HB       CYS  73  -1.990  -6.576 -11.987
  563    HG   CYS  73           HG       CYS  73  -3.012  -8.952  -9.906
  564    H    ARG  74           H        ARG  74  -5.562  -7.291 -13.050
  565    HA   ARG  74           HA       ARG  74  -5.223  -5.062 -14.862
  566   1HB   ARG  74          1HB       ARG  74  -7.296  -7.296 -14.674
  567   2HB   ARG  74          2HB       ARG  74  -7.225  -6.134 -16.002
  568   1HG   ARG  74          1HG       ARG  74  -5.025  -6.888 -16.674
  569   2HG   ARG  74          2HG       ARG  74  -4.890  -7.953 -15.266
  570   1HD   ARG  74          1HD       ARG  74  -6.829  -9.272 -16.057
  571   2HD   ARG  74          2HD       ARG  74  -6.960  -8.218 -17.485
  572    HE   ARG  74           HE       ARG  74  -4.299  -9.189 -17.345
  573   1HH1  ARG  74          1HH2      ARG  74  -7.528 -10.549 -18.008
  574   2HH1  ARG  74          2HH2      ARG  74  -6.909 -11.803 -19.018
  575   1HH2  ARG  74          1HH1      ARG  74  -3.530 -10.701 -18.592
  576   2HH2  ARG  74          2HH1      ARG  74  -4.514 -11.916 -19.393
  577    H    ASN  75           H        ASN  75  -7.395  -5.623 -12.128
  578    HA   ASN  75           HA       ASN  75  -9.528  -4.000 -13.029
  579   1HB   ASN  75          1HB       ASN  75  -9.713  -5.736 -11.264
  580   2HB   ASN  75          2HB       ASN  75  -8.769  -4.720 -10.172
  581   1HD2  ASN  75          2HD2      ASN  75  -9.869  -3.084  -9.004
  582   2HD2  ASN  75          1HD2      ASN  75 -11.564  -2.734  -9.235
  583    H    TYR  76           H        TYR  76  -6.458  -3.031 -11.621
  584    HA   TYR  76           HA       TYR  76  -7.538  -0.265 -11.198
  585   1HB   TYR  76          1HB       TYR  76  -5.295  -1.603  -9.655
  586   2HB   TYR  76          2HB       TYR  76  -5.889   0.029  -9.421
  587    HD1  TYR  76           HD1      TYR  76  -7.916   0.454  -8.078
  588    HD2  TYR  76           HD2      TYR  76  -6.663  -3.549  -9.022
  589    HE1  TYR  76           HE1      TYR  76  -9.546  -0.438  -6.445
  590    HE2  TYR  76           HE2      TYR  76  -8.278  -4.468  -7.407
  591    HH   TYR  76           HH       TYR  76  -9.980  -3.962  -5.873
  592    H    ASP  77           H        ASP  77  -5.680   1.410 -11.395
  593    HA   ASP  77           HA       ASP  77  -4.295   0.721 -13.951
  594   1HB   ASP  77          1HB       ASP  77  -6.120   2.401 -14.025
  595   2HB   ASP  77          2HB       ASP  77  -5.193   3.423 -12.919
  596    H    LEU  78           H        LEU  78  -3.566   1.189 -10.708
  597    HA   LEU  78           HA       LEU  78  -0.709   1.563 -11.314
  598   1HB   LEU  78          1HB       LEU  78  -1.910   3.809 -10.860
  599   2HB   LEU  78          2HB       LEU  78  -2.238   3.207  -9.261
  600    HG   LEU  78           HG       LEU  78  -0.406   4.757  -9.247
  601   1HD1  LEU  78          1HD1      LEU  78  -0.235   2.766  -7.707
  602   2HD1  LEU  78          2HD1      LEU  78   0.939   2.077  -8.859
  603   3HD1  LEU  78          3HD1      LEU  78   1.283   3.609  -8.053
  604   1HD2  LEU  78          1HD2      LEU  78   1.149   2.961 -11.140
  605   2HD2  LEU  78          2HD2      LEU  78   0.275   4.433 -11.624
  606   3HD2  LEU  78          3HD2      LEU  78   1.616   4.549 -10.484
  607    H    ILE  79           H        ILE  79   0.350   0.024 -10.050
  608    HA   ILE  79           HA       ILE  79  -1.211  -1.202  -7.804
  609    HB   ILE  79           HB       ILE  79   0.920  -2.547  -9.489
  610   1HG1  ILE  79          1HG1      ILE  79  -1.032  -2.270 -10.913
  611   2HG1  ILE  79          2HG1      ILE  79  -0.823  -3.950 -10.471
  612   1HG2  ILE  79          1HG2      ILE  79   0.795  -3.400  -7.194
  613   2HG2  ILE  79          2HG2      ILE  79  -0.954  -3.607  -7.322
  614   3HG2  ILE  79          3HG2      ILE  79   0.135  -4.605  -8.311
  615   1HD1  ILE  79          1HD1      ILE  79  -3.199  -3.228 -10.449
  616   2HD1  ILE  79          2HD1      ILE  79  -2.679  -3.819  -8.866
  617   3HD1  ILE  79          3HD1      ILE  79  -2.849  -2.072  -9.165
  618    H    LEU  80           H        LEU  80  -0.200  -1.087  -5.847
  619    HA   LEU  80           HA       LEU  80   2.417   0.344  -5.814
  620   1HB   LEU  80          1HB       LEU  80   0.408   1.794  -5.640
  621   2HB   LEU  80          2HB       LEU  80  -0.099   0.920  -4.200
  622    HG   LEU  80           HG       LEU  80   1.729   1.794  -2.922
  623   1HD1  LEU  80          1HD1      LEU  80   3.398   3.398  -3.947
  624   2HD1  LEU  80          2HD1      LEU  80   3.614   1.729  -4.427
  625   3HD1  LEU  80          3HD1      LEU  80   2.841   2.874  -5.548
  626   1HD2  LEU  80          1HD2      LEU  80   0.560   3.955  -4.749
  627   2HD2  LEU  80          2HD2      LEU  80  -0.177   3.322  -3.262
  628   3HD2  LEU  80          3HD2      LEU  80   1.325   4.267  -3.192
  629    H    THR  81           H        THR  81   3.799  -0.236  -4.099
  630    HA   THR  81           HA       THR  81   2.852  -2.124  -2.062
  631    HB   THR  81           HB       THR  81   3.258  -3.529  -4.046
  632    HG1  THR  81           1HG      THR  81   3.643  -4.338  -2.020
  633   1HG2  THR  81          1HG2      THR  81   5.531  -3.906  -4.911
  634   2HG2  THR  81          2HG2      THR  81   4.970  -2.276  -5.268
  635   3HG2  THR  81          3HG2      THR  81   6.142  -2.536  -3.959
  636    H    MET  82           H        MET  82   5.398  -2.853  -1.053
  637    HA   MET  82           HA       MET  82   6.556  -0.170  -0.406
  638   1HB   MET  82          1HB       MET  82   5.968  -2.556   1.396
  639   2HB   MET  82          2HB       MET  82   6.912  -1.140   1.849
  640   1HG   MET  82          1HG       MET  82   4.858  -0.623   2.723
  641   2HG   MET  82          2HG       MET  82   4.867   0.267   1.208
  642   1HE   MET  82          1HE       MET  82   2.305   0.674   0.938
  643   2HE   MET  82          2HE       MET  82   1.134  -0.485   1.621
  644   3HE   MET  82          3HE       MET  82   2.403   0.206   2.649
  645    H    GLU  83           H        GLU  83   7.293  -3.190  -1.837
  646    HA   GLU  83           HA       GLU  83  10.164  -2.767  -1.270
  647   1HB   GLU  83          1HB       GLU  83   8.787  -5.460  -0.941
  648   2HB   GLU  83          2HB       GLU  83  10.503  -5.106  -0.746
  649   1HG   GLU  83          1HG       GLU  83   9.939  -3.580   1.161
  650   2HG   GLU  83          2HG       GLU  83   8.244  -4.061   1.017
  651    H    LYS  84           H        LYS  84  11.598  -3.560  -2.815
  652    HA   LYS  84           HA       LYS  84  10.441  -3.538  -5.495
  653   1HB   LYS  84          1HB       LYS  84  13.269  -3.843  -4.415
  654   2HB   LYS  84          2HB       LYS  84  12.894  -3.851  -6.143
  655   1HG   LYS  84          1HG       LYS  84  12.057  -1.636  -6.137
  656   2HG   LYS  84          2HG       LYS  84  11.912  -1.571  -4.387
  657   1HD   LYS  84          1HD       LYS  84  14.568  -1.670  -5.858
  658   2HD   LYS  84          2HD       LYS  84  13.755  -0.203  -5.282
  659   1HE   LYS  84          1HE       LYS  84  13.728  -1.323  -2.950
  660   2HE   LYS  84          2HE       LYS  84  14.886  -2.484  -3.613
  661   1HZ   LYS  84          1HZ       LYS  84  16.067  -0.705  -2.559
  662   2HZ   LYS  84          2HZ       LYS  84  16.303  -0.515  -4.161
  663   3HZ   LYS  84          3HZ       LYS  84  15.229   0.449  -3.359
  664    H    ARG  85           H        ARG  85  11.596  -6.073  -3.251
  665    HA   ARG  85           HA       ARG  85  11.526  -8.199  -5.119
  666   1HB   ARG  85          1HB       ARG  85  11.050  -9.671  -3.177
  667   2HB   ARG  85          2HB       ARG  85  12.443  -8.621  -2.950
  668   1HG   ARG  85          1HG       ARG  85  11.251  -7.210  -1.409
  669   2HG   ARG  85          2HG       ARG  85   9.700  -7.974  -1.791
  670   1HD   ARG  85          1HD       ARG  85  10.515 -10.113  -0.859
  671   2HD   ARG  85          2HD       ARG  85  12.058  -9.343  -0.437
  672    HE   ARG  85           HE       ARG  85  10.540  -7.695   0.890
  673   1HH1  ARG  85          1HH2      ARG  85  10.232 -11.231   0.844
  674   2HH1  ARG  85          2HH2      ARG  85   9.338 -11.295   2.316
  675   1HH2  ARG  85          1HH1      ARG  85   9.208  -7.733   2.664
  676   2HH2  ARG  85          2HH1      ARG  85   8.809  -9.243   3.440
  677    H    HIS  86           H        HIS  86   8.822  -6.441  -3.568
  678    HA   HIS  86           HA       HIS  86   6.862  -8.444  -4.392
  679   1HB   HIS  86          1HB       HIS  86   6.488  -5.575  -3.454
  680   2HB   HIS  86          2HB       HIS  86   5.215  -6.767  -3.641
  681    HD1  HIS  86           HD1      HIS  86   7.213  -9.088  -2.099
  682    HD2  HIS  86           HD2      HIS  86   5.837  -5.319  -0.831
  683    HE1  HIS  86           HE1      HIS  86   7.380  -9.066   0.431
  684    H    ILE  87           H        ILE  87   8.080  -5.293  -5.664
  685    HA   ILE  87           HA       ILE  87   6.350  -5.053  -7.871
  686    HB   ILE  87           HB       ILE  87   9.301  -4.336  -7.601
  687   1HG1  ILE  87          1HG1      ILE  87   6.768  -2.668  -7.287
  688   2HG1  ILE  87          2HG1      ILE  87   7.828  -3.197  -5.985
  689   1HG2  ILE  87          1HG2      ILE  87   7.379  -3.337  -9.728
  690   2HG2  ILE  87          2HG2      ILE  87   9.081  -2.884  -9.530
  691   3HG2  ILE  87          3HG2      ILE  87   8.675  -4.515 -10.007
  692   1HD1  ILE  87          1HD1      ILE  87   8.504  -1.185  -8.156
  693   2HD1  ILE  87          2HD1      ILE  87   8.305  -0.906  -6.428
  694   3HD1  ILE  87          3HD1      ILE  87   9.690  -1.848  -7.007
  695    H    GLU  88           H        GLU  88   9.392  -6.992  -7.514
  696    HA   GLU  88           HA       GLU  88   9.423  -7.958 -10.143
  697   1HB   GLU  88          1HB       GLU  88  11.231  -8.093  -8.362
  698   2HB   GLU  88          2HB       GLU  88  10.337  -9.424  -7.635
  699   1HG   GLU  88          1HG       GLU  88  12.046 -10.388  -8.936
  700   2HG   GLU  88          2HG       GLU  88  10.542 -10.685  -9.798
  701    H    ARG  89           H        ARG  89   7.775  -9.398  -7.237
  702    HA   ARG  89           HA       ARG  89   6.817 -11.715  -8.671
  703   1HB   ARG  89          1HB       ARG  89   5.931 -10.370  -6.079
  704   2HB   ARG  89          2HB       ARG  89   4.996 -11.667  -6.808
  705   1HG   ARG  89          1HG       ARG  89   6.345 -12.721  -5.200
  706   2HG   ARG  89          2HG       ARG  89   7.029 -13.141  -6.779
  707   1HD   ARG  89          1HD       ARG  89   8.700 -11.281  -6.447
  708   2HD   ARG  89          2HD       ARG  89   8.048 -11.061  -4.806
  709    HE   ARG  89           HE       ARG  89   8.718 -13.721  -4.898
  710   1HH1  ARG  89          1HH2      ARG  89  10.434 -10.695  -5.521
  711   2HH1  ARG  89          2HH2      ARG  89  12.016 -11.342  -5.210
  712   1HH2  ARG  89          1HH1      ARG  89  10.811 -14.590  -4.399
  713   2HH2  ARG  89          2HH1      ARG  89  12.217 -13.602  -4.498
  714    H    LEU  90           H        LEU  90   5.388  -8.484  -8.059
  715    HA   LEU  90           HA       LEU  90   2.860  -9.169  -9.210
  716   1HB   LEU  90          1HB       LEU  90   4.275  -6.542  -8.673
  717   2HB   LEU  90          2HB       LEU  90   2.621  -6.609  -9.295
  718    HG   LEU  90           HG       LEU  90   3.451  -8.003  -6.712
  719   1HD1  LEU  90          1HD1      LEU  90   3.876  -5.611  -6.434
  720   2HD1  LEU  90          2HD1      LEU  90   2.235  -5.237  -7.005
  721   3HD1  LEU  90          3HD1      LEU  90   2.480  -6.120  -5.483
  722   1HD2  LEU  90          1HD2      LEU  90   1.354  -8.837  -7.733
  723   2HD2  LEU  90          2HD2      LEU  90   1.050  -7.972  -6.237
  724   3HD2  LEU  90          3HD2      LEU  90   0.727  -7.177  -7.797
  725    H    CYS  91           H        CYS  91   5.846  -7.772 -10.650
  726    HA   CYS  91           HA       CYS  91   4.696  -7.355 -13.249
  727   1HB   CYS  91          1HB       CYS  91   7.575  -7.937 -12.408
  728   2HB   CYS  91          2HB       CYS  91   7.063  -7.424 -14.025
  729    HG   CYS  91           HG       CYS  91   6.730  -5.881 -11.127
  730    H    GLU  92           H        GLU  92   6.230 -10.239 -11.687
  731    HA   GLU  92           HA       GLU  92   6.167 -11.831 -14.042
  732   1HB   GLU  92          1HB       GLU  92   7.525 -12.248 -11.955
  733   2HB   GLU  92          2HB       GLU  92   6.044 -12.733 -11.134
  734   1HG   GLU  92          1HG       GLU  92   7.190 -14.711 -11.812
  735   2HG   GLU  92          2HG       GLU  92   5.750 -14.577 -12.806
  736    H    MET  93           H        MET  93   3.772 -11.329 -11.392
  737    HA   MET  93           HA       MET  93   1.894 -13.279 -12.323
  738   1HB   MET  93          1HB       MET  93   1.605 -10.800 -10.575
  739   2HB   MET  93          2HB       MET  93   0.264 -11.891 -10.939
  740   1HG   MET  93          1HG       MET  93   1.458 -13.781  -9.949
  741   2HG   MET  93          2HG       MET  93   2.867 -12.775  -9.647
  742   1HE   MET  93          1HE       MET  93  -1.051 -11.912  -8.993
  743   2HE   MET  93          2HE       MET  93  -0.789 -13.648  -8.692
  744   3HE   MET  93          3HE       MET  93  -1.146 -12.554  -7.341
  745    H    ALA  94           H        ALA  94   2.289  -9.781 -13.070
  746    HA   ALA  94           HA       ALA  94   0.359 -10.119 -15.320
  747   1HB   ALA  94          1HB       ALA  94  -0.919  -9.230 -13.412
  748   2HB   ALA  94          2HB       ALA  94   0.257  -7.916 -13.215
  749   3HB   ALA  94          3HB       ALA  94  -0.737  -8.009 -14.686
  750    HA   PRO  95           HA       PRO  95   4.324  -8.121 -16.745
  751   1HB   PRO  95          1HB       PRO  95   3.206  -9.464 -19.211
  752   2HB   PRO  95          2HB       PRO  95   4.917  -9.256 -18.721
  753   1HG   PRO  95          1HG       PRO  95   3.670 -11.632 -18.335
  754   2HG   PRO  95          2HG       PRO  95   4.720 -10.953 -17.048
  755   1HD   PRO  95          1HD       PRO  95   1.705 -10.895 -17.234
  756   2HD   PRO  95          2HD       PRO  95   2.745 -11.218 -15.821
  757    H    GLU  96           H        GLU  96   0.963  -8.165 -17.987
  758    HA   GLU  96           HA       GLU  96   1.160  -5.884 -19.667
  759   1HB   GLU  96          1HB       GLU  96  -1.286  -5.836 -19.509
  760   2HB   GLU  96          2HB       GLU  96  -0.678  -7.438 -19.870
  761   1HG   GLU  96          1HG       GLU  96  -1.269  -6.763 -16.980
  762   2HG   GLU  96          2HG       GLU  96  -2.617  -6.983 -18.085
  763    H    MET  97           H        MET  97   1.313  -6.034 -16.225
  764    HA   MET  97           HA       MET  97   0.688  -3.121 -15.975
  765   1HB   MET  97          1HB       MET  97   0.497  -5.387 -13.944
  766   2HB   MET  97          2HB       MET  97   0.334  -3.685 -13.536
  767   1HG   MET  97          1HG       MET  97  -1.472  -5.216 -15.432
  768   2HG   MET  97          2HG       MET  97  -1.846  -4.795 -13.770
  769   1HE   MET  97          1HE       MET  97  -1.012  -1.808 -13.342
  770   2HE   MET  97          2HE       MET  97  -2.491  -0.974 -13.858
  771   3HE   MET  97          3HE       MET  97  -2.606  -2.474 -12.920
  772    H    ARG  98           H        ARG  98   3.339  -4.997 -16.485
  773    HA   ARG  98           HA       ARG  98   4.940  -4.605 -14.226
  774   1HB   ARG  98          1HB       ARG  98   6.816  -5.219 -15.572
  775   2HB   ARG  98          2HB       ARG  98   5.420  -6.147 -16.105
  776   1HG   ARG  98          1HG       ARG  98   5.168  -4.322 -17.964
  777   2HG   ARG  98          2HG       ARG  98   6.794  -3.811 -17.495
  778   1HD   ARG  98          1HD       ARG  98   7.639  -6.104 -17.924
  779   2HD   ARG  98          2HD       ARG  98   6.023  -6.626 -18.402
  780    HE   ARG  98           HE       ARG  98   7.949  -5.111 -19.946
  781   1HH1  ARG  98          1HH2      ARG  98   4.447  -5.721 -19.632
  782   2HH1  ARG  98          2HH2      ARG  98   4.117  -5.375 -21.295
  783   1HH2  ARG  98          1HH1      ARG  98   7.481  -4.629 -22.133
  784   2HH2  ARG  98          2HH1      ARG  98   5.871  -4.725 -22.734
  785    H    GLY  99           H        GLY  99   4.269  -2.257 -16.790
  786   1HA   GLY  99          1HA       GLY  99   6.329  -0.385 -15.913
  787   2HA   GLY  99          2HA       GLY  99   5.070  -0.121 -17.127
  788    H    LYS 100           H        LYS 100   3.493  -1.294 -14.400
  789    HA   LYS 100           HA       LYS 100   2.821   1.446 -13.423
  790   1HB   LYS 100          1HB       LYS 100   1.017  -0.901 -14.149
  791   2HB   LYS 100          2HB       LYS 100   0.467   0.552 -13.311
  792   1HG   LYS 100          1HG       LYS 100   1.065   1.963 -15.204
  793   2HG   LYS 100          2HG       LYS 100   1.722   0.571 -16.092
  794   1HD   LYS 100          1HD       LYS 100  -0.443  -0.498 -16.181
  795   2HD   LYS 100          2HD       LYS 100  -1.153   0.736 -15.126
  796   1HE   LYS 100          1HE       LYS 100  -0.544   2.473 -16.878
  797   2HE   LYS 100          2HE       LYS 100  -0.085   1.143 -17.950
  798   1HZ   LYS 100          1HZ       LYS 100  -2.324   1.824 -18.396
  799   2HZ   LYS 100          2HZ       LYS 100  -2.408   0.339 -17.730
  800   3HZ   LYS 100          3HZ       LYS 100  -2.793   1.677 -16.842
  801    H    VAL 101           H        VAL 101   4.205  -1.435 -12.404
  802    HA   VAL 101           HA       VAL 101   2.971  -1.265  -9.735
  803    HB   VAL 101           HB       VAL 101   5.306  -3.061 -10.363
  804   1HG1  VAL 101          1HG1      VAL 101   4.566  -2.660  -8.005
  805   2HG1  VAL 101          2HG1      VAL 101   2.959  -3.270  -8.429
  806   3HG1  VAL 101          3HG1      VAL 101   4.368  -4.338  -8.511
  807   1HG2  VAL 101          1HG2      VAL 101   3.691  -4.923 -10.770
  808   2HG2  VAL 101          2HG2      VAL 101   2.389  -3.722 -10.942
  809   3HG2  VAL 101          3HG2      VAL 101   3.762  -3.751 -12.072
  810    H    MET 102           H        MET 102   3.967  -0.044  -8.119
  811    HA   MET 102           HA       MET 102   6.847   0.613  -8.320
  812   1HB   MET 102          1HB       MET 102   4.612   2.684  -8.405
  813   2HB   MET 102          2HB       MET 102   6.207   3.069  -7.744
  814   1HG   MET 102          1HG       MET 102   7.293   2.378  -9.819
  815   2HG   MET 102          2HG       MET 102   5.722   2.039 -10.550
  816   1HE   MET 102          1HE       MET 102   4.132   5.378 -11.318
  817   2HE   MET 102          2HE       MET 102   4.371   3.717 -11.909
  818   3HE   MET 102          3HE       MET 102   3.762   3.992 -10.265
  819    H    LEU 103           H        LEU 103   7.461   1.882  -6.185
  820    HA   LEU 103           HA       LEU 103   5.916   0.625  -3.997
  821   1HB   LEU 103          1HB       LEU 103   7.793   0.431  -2.665
  822   2HB   LEU 103          2HB       LEU 103   8.130  -0.367  -4.186
  823    HG   LEU 103           HG       LEU 103   9.180   2.387  -3.395
  824   1HD1  LEU 103          1HD1      LEU 103   9.972   0.732  -1.808
  825   2HD1  LEU 103          2HD1      LEU 103  10.460  -0.357  -3.117
  826   3HD1  LEU 103          3HD1      LEU 103  11.303   1.192  -2.872
  827   1HD2  LEU 103          1HD2      LEU 103   9.301   2.006  -5.846
  828   2HD2  LEU 103          2HD2      LEU 103  10.904   1.996  -5.122
  829   3HD2  LEU 103          3HD2      LEU 103  10.134   0.462  -5.562
  830    H    PHE 104           H        PHE 104   5.792   1.625  -1.973
  831    HA   PHE 104           HA       PHE 104   4.921   4.255  -1.942
  832   1HB   PHE 104          1HB       PHE 104   5.320   2.077  -0.086
  833   2HB   PHE 104          2HB       PHE 104   5.954   3.531   0.644
  834    HD1  PHE 104           HD1      PHE 104   4.386   3.905   2.328
  835    HD2  PHE 104           HD2      PHE 104   2.979   3.204  -1.660
  836    HE1  PHE 104           HE1      PHE 104   2.115   4.701   2.991
  837    HE2  PHE 104           HE2      PHE 104   0.711   3.969  -0.996
  838    HZ   PHE 104           HZ       PHE 104   0.296   4.769   1.304
  839    H    GLY 105           H        GLY 105   8.169   3.024  -1.043
  840   1HA   GLY 105          1HA       GLY 105   9.123   5.706  -0.414
  841   2HA   GLY 105          2HA       GLY 105  10.040   4.208  -0.348
  842    H    HIS 106           H        HIS 106   8.459   4.587  -3.424
  843    HA   HIS 106           HA       HIS 106  10.727   4.826  -4.996
  844   1HB   HIS 106          1HB       HIS 106   8.600   4.273  -5.917
  845   2HB   HIS 106          2HB       HIS 106   7.909   5.825  -5.435
  846    HD1  HIS 106           HD1      HIS 106  10.685   4.581  -7.940
  847    HD2  HIS 106           HD2      HIS 106   7.887   7.678  -7.236
  848    HE1  HIS 106           HE1      HIS 106  10.753   6.097  -9.967
  849    H    TRP 107           H        TRP 107   8.750   7.537  -3.688
  850    HA   TRP 107           HA       TRP 107  10.368   9.594  -4.859
  851   1HB   TRP 107          1HB       TRP 107   8.586   9.893  -2.447
  852   2HB   TRP 107          2HB       TRP 107   8.922  11.084  -3.701
  853    HD1  TRP 107           HD1      TRP 107   6.571   8.405  -2.648
  854    HE1  TRP 107           HE1      TRP 107   4.700   8.073  -4.317
  855    HE3  TRP 107           HE3      TRP 107   8.423  11.216  -6.531
  856    HZ2  TRP 107           HZ2      TRP 107   4.021   8.929  -6.993
  857    HZ3  TRP 107           HZ3      TRP 107   7.108  11.449  -8.624
  858    HH2  TRP 107           HH2      TRP 107   4.884  10.332  -8.845
  859    H    ASP 108           H        ASP 108  11.374   7.511  -2.556
  860    HA   ASP 108           HA       ASP 108  13.100   9.493  -1.138
  861   1HB   ASP 108          1HB       ASP 108  11.215   8.876   0.347
  862   2HB   ASP 108          2HB       ASP 108  11.572   7.165   0.105
  863    H    ASN 109           H        ASN 109  14.101   8.743  -3.240
  864    HA   ASN 109           HA       ASN 109  15.721   7.565  -4.307
  865   1HB   ASN 109          1HB       ASN 109  16.903   8.590  -2.404
  866   2HB   ASN 109          2HB       ASN 109  16.619   7.138  -1.446
  867   1HD2  ASN 109          2HD2      ASN 109  18.685   6.494  -1.127
  868   2HD2  ASN 109          1HD2      ASN 109  19.810   6.048  -2.392
  869    H    GLU 110           H        GLU 110  13.358   6.091  -4.026
  870    HA   GLU 110           HA       GLU 110  12.418   4.053  -3.926
  871   1HB   GLU 110          1HB       GLU 110  14.928   3.178  -5.391
  872   2HB   GLU 110          2HB       GLU 110  13.325   2.423  -5.432
  873   1HG   GLU 110          1HG       GLU 110  12.511   4.808  -6.180
  874   2HG   GLU 110          2HG       GLU 110  14.197   5.077  -6.595
  875    H    CYS 111           H        CYS 111  13.559   4.629  -1.492
  876    HA   CYS 111           HA       CYS 111  14.912   2.297  -0.415
  877   1HB   CYS 111          1HB       CYS 111  13.356   4.611   0.800
  878   2HB   CYS 111          2HB       CYS 111  14.075   3.306   1.777
  879    HG   CYS 111           HG       CYS 111  15.413   5.527  -0.211
  880    H    GLU 112           H        GLU 112  14.004   0.437   0.341
  881    HA   GLU 112           HA       GLU 112  11.052   0.169   0.190
  882   1HB   GLU 112          1HB       GLU 112  11.481  -2.246   0.281
  883   2HB   GLU 112          2HB       GLU 112  12.073  -1.406  -1.156
  884   1HG   GLU 112          1HG       GLU 112  14.380  -1.558  -0.282
  885   2HG   GLU 112          2HG       GLU 112  13.771  -2.348   1.183
  886    H    ILE 113           H        ILE 113  10.007  -1.186   1.837
  887    HA   ILE 113           HA       ILE 113  10.922  -0.197   4.503
  888    HB   ILE 113           HB       ILE 113   8.092  -0.736   3.578
  889   1HG1  ILE 113          1HG1      ILE 113   9.613   1.901   3.461
  890   2HG1  ILE 113          2HG1      ILE 113   8.992   0.987   2.091
  891   1HG2  ILE 113          1HG2      ILE 113   8.361  -0.741   5.997
  892   2HG2  ILE 113          2HG2      ILE 113   9.143   0.855   5.943
  893   3HG2  ILE 113          3HG2      ILE 113   7.432   0.651   5.499
  894   1HD1  ILE 113          1HD1      ILE 113   7.524   2.796   2.396
  895   2HD1  ILE 113          2HD1      ILE 113   6.658   1.342   2.935
  896   3HD1  ILE 113          3HD1      ILE 113   7.347   2.482   4.123
  897    HA   PRO 114           HA       PRO 114  10.830  -4.526   5.910
  898   1HB   PRO 114          1HB       PRO 114   9.953  -3.204   8.482
  899   2HB   PRO 114          2HB       PRO 114  11.179  -4.487   8.241
  900   1HG   PRO 114          1HG       PRO 114  11.947  -1.920   8.648
  901   2HG   PRO 114          2HG       PRO 114  12.764  -2.913   7.395
  902   1HD   PRO 114          1HD       PRO 114  10.596  -0.837   7.030
  903   2HD   PRO 114          2HD       PRO 114  12.085  -1.104   6.073
  904    H    ASP 115           H        ASP 115   9.214  -6.002   7.022
  905    HA   ASP 115           HA       ASP 115   6.390  -5.094   6.691
  906   1HB   ASP 115          1HB       ASP 115   7.144  -6.955   5.180
  907   2HB   ASP 115          2HB       ASP 115   7.429  -7.946   6.603
  908    HA   PRO 116           HA       PRO 116   6.873  -5.397  11.085
  909   1HB   PRO 116          1HB       PRO 116   4.393  -4.771  11.988
  910   2HB   PRO 116          2HB       PRO 116   5.431  -3.583  11.152
  911   1HG   PRO 116          1HG       PRO 116   3.227  -5.298   9.946
  912   2HG   PRO 116          2HG       PRO 116   3.435  -3.524   9.798
  913   1HD   PRO 116          1HD       PRO 116   4.349  -5.233   7.883
  914   2HD   PRO 116          2HD       PRO 116   5.292  -3.782   8.334
  915    H    TYR 117           H        TYR 117   4.796  -7.598   9.354
  916    HA   TYR 117           HA       TYR 117   3.296  -9.136  10.015
  917   1HB   TYR 117          1HB       TYR 117   5.248 -10.201   9.098
  918   2HB   TYR 117          2HB       TYR 117   6.022 -10.267  10.676
  919    HD1  TYR 117           HD1      TYR 117   6.110 -12.485  11.475
  920    HD2  TYR 117           HD2      TYR 117   2.566 -11.148   9.405
  921    HE1  TYR 117           HE1      TYR 117   5.042 -14.676  11.898
  922    HE2  TYR 117           HE2      TYR 117   1.488 -13.335   9.823
  923    HH   TYR 117           HH       TYR 117   1.712 -15.452  10.780
  924    H    ARG 118           H        ARG 118   5.516  -9.967  12.729
  925    HA   ARG 118           HA       ARG 118   3.197  -9.631  14.570
  926   1HB   ARG 118          1HB       ARG 118   3.722 -12.025  13.581
  927   2HB   ARG 118          2HB       ARG 118   5.104 -11.995  14.657
  928   1HG   ARG 118          1HG       ARG 118   3.414 -13.232  15.725
  929   2HG   ARG 118          2HG       ARG 118   3.441 -11.710  16.601
  930   1HD   ARG 118          1HD       ARG 118   1.525 -12.301  14.309
  931   2HD   ARG 118          2HD       ARG 118   1.156 -12.728  15.984
  932    HE   ARG 118           HE       ARG 118   1.542 -10.239  16.478
  933   1HH1  ARG 118          1HH1      ARG 118  -0.051 -11.461  13.510
  934   2HH1  ARG 118          2HH1      ARG 118  -0.907  -9.945  13.266
  935   1HH2  ARG 118          1HH2      ARG 118   0.369  -8.246  15.993
  936   2HH2  ARG 118          2HH2      ARG 118  -0.661  -8.220  14.592
  937    H    LYS 119           H        LYS 119   5.854  -8.132  13.993
  938    HA   LYS 119           HA       LYS 119   7.429  -8.517  16.431
  939   1HB   LYS 119          1HB       LYS 119   7.497  -6.425  14.211
  940   2HB   LYS 119          2HB       LYS 119   8.639  -6.492  15.561
  941   1HG   LYS 119          1HG       LYS 119   9.373  -8.750  14.890
  942   2HG   LYS 119          2HG       LYS 119   8.215  -8.759  13.563
  943   1HD   LYS 119          1HD       LYS 119  10.440  -8.288  12.717
  944   2HD   LYS 119          2HD       LYS 119   9.358  -6.938  12.443
  945   1HE   LYS 119          1HE       LYS 119  11.485  -6.050  13.106
  946   2HE   LYS 119          2HE       LYS 119  10.355  -5.754  14.423
  947   1HZ   LYS 119          1HZ       LYS 119  12.365  -7.938  14.341
  948   2HZ   LYS 119          2HZ       LYS 119  12.485  -6.573  15.219
  949   3HZ   LYS 119          3HZ       LYS 119  11.336  -7.667  15.585
  950    H    SER 120           H        SER 120   7.929  -6.312  17.630
  951    HA   SER 120           HA       SER 120   5.656  -5.827  19.226
  952   1HB   SER 120          1HB       SER 120   8.168  -4.117  19.019
  953   2HB   SER 120          2HB       SER 120   7.116  -4.322  20.432
  954    HG   SER 120           HG       SER 120   9.006  -5.608  20.569
  955    H    ARG 121           H        ARG 121   4.690  -3.670  19.733
  956    HA   ARG 121           HA       ARG 121   3.538  -2.480  17.447
  957   1HB   ARG 121          1HB       ARG 121   2.592  -2.485  19.801
  958   2HB   ARG 121          2HB       ARG 121   3.734  -1.190  20.203
  959   1HG   ARG 121          1HG       ARG 121   2.732   0.201  18.364
  960   2HG   ARG 121          2HG       ARG 121   1.576  -1.088  18.036
  961   1HD   ARG 121          1HD       ARG 121   1.810   0.543  20.596
  962   2HD   ARG 121          2HD       ARG 121   0.610   0.743  19.309
  963    HE   ARG 121           HE       ARG 121   0.616  -1.933  20.420
  964   1HH1  ARG 121          1HH2      ARG 121  -0.685   1.374  20.854
  965   2HH1  ARG 121          2HH2      ARG 121  -1.906   0.866  21.972
  966   1HH2  ARG 121          1HH1      ARG 121  -1.090  -2.584  21.824
  967   2HH2  ARG 121          2HH1      ARG 121  -2.182  -1.425  22.471
  968    H    GLU 122           H        GLU 122   6.551  -1.663  19.145
  969    HA   GLU 122           HA       GLU 122   6.931   0.922  18.051
  970   1HB   GLU 122          1HB       GLU 122   8.247  -0.094  19.895
  971   2HB   GLU 122          2HB       GLU 122   8.998  -1.211  18.747
  972   1HG   GLU 122          1HG       GLU 122  10.014   0.694  17.538
  973   2HG   GLU 122          2HG       GLU 122   9.183   1.833  18.602
  974    H    THR 123           H        THR 123   7.480  -2.343  16.638
  975    HA   THR 123           HA       THR 123   8.862  -1.352  14.292
  976    HB   THR 123           HB       THR 123   7.290  -3.939  14.671
  977    HG1  THR 123           1HG      THR 123   9.074  -3.615  16.158
  978   1HG2  THR 123          1HG2      THR 123   7.776  -3.399  12.296
  979   2HG2  THR 123          2HG2      THR 123   9.493  -3.182  12.700
  980   3HG2  THR 123          3HG2      THR 123   8.722  -4.777  12.855
  981    H    PHE 124           H        PHE 124   5.418  -2.205  15.068
  982    HA   PHE 124           HA       PHE 124   4.348  -1.576  12.521
  983   1HB   PHE 124          1HB       PHE 124   3.179  -1.630  15.301
  984   2HB   PHE 124          2HB       PHE 124   2.251  -1.026  13.948
  985    HD1  PHE 124           HD1      PHE 124   3.945  -4.081  15.270
  986    HD2  PHE 124           HD2      PHE 124   1.361  -2.432  12.236
  987    HE1  PHE 124           HE1      PHE 124   3.235  -6.368  14.626
  988    HE2  PHE 124           HE2      PHE 124   0.639  -4.728  11.614
  989    HZ   PHE 124           HZ       PHE 124   1.561  -6.692  12.816
  990    H    ALA 125           H        ALA 125   5.017   0.570  15.340
  991    HA   ALA 125           HA       ALA 125   3.915   2.907  14.109
  992   1HB   ALA 125          1HB       ALA 125   4.243   2.659  16.550
  993   2HB   ALA 125          2HB       ALA 125   6.008   2.653  16.312
  994   3HB   ALA 125          3HB       ALA 125   5.062   4.102  15.923
  995    H    ALA 126           H        ALA 126   7.008   1.258  13.592
  996    HA   ALA 126           HA       ALA 126   8.426   3.731  12.843
  997   1HB   ALA 126          1HB       ALA 126   9.680   1.909  13.960
  998   2HB   ALA 126          2HB       ALA 126   9.234   0.781  12.659
  999   3HB   ALA 126          3HB       ALA 126  10.273   2.176  12.310
 1000    H    VAL 127           H        VAL 127   7.154   0.687  11.374
 1001    HA   VAL 127           HA       VAL 127   7.506   1.607   8.708
 1002    HB   VAL 127           HB       VAL 127   6.081  -0.149   8.036
 1003   1HG1  VAL 127          1HG1      VAL 127   8.433  -0.653   8.637
 1004   2HG1  VAL 127          2HG1      VAL 127   7.895  -1.158  10.254
 1005   3HG1  VAL 127          3HG1      VAL 127   7.367  -2.053   8.815
 1006   1HG2  VAL 127          1HG2      VAL 127   5.449  -0.797  10.897
 1007   2HG2  VAL 127          2HG2      VAL 127   4.298  -0.146   9.711
 1008   3HG2  VAL 127          3HG2      VAL 127   4.994  -1.748   9.478
 1009    H    TYR 128           H        TYR 128   4.691   1.998  10.998
 1010    HA   TYR 128           HA       TYR 128   2.999   3.277   9.170
 1011   1HB   TYR 128          1HB       TYR 128   2.363   2.655  11.488
 1012   2HB   TYR 128          2HB       TYR 128   3.341   3.980  12.111
 1013    HD1  TYR 128           HD1      TYR 128   0.122   3.009  10.756
 1014    HD2  TYR 128           HD2      TYR 128   2.701   6.402  11.443
 1015    HE1  TYR 128           HE1      TYR 128  -1.788   4.541  10.381
 1016    HE2  TYR 128           HE2      TYR 128   0.825   7.931  11.010
 1017    HH   TYR 128           HH       TYR 128  -1.445   8.111  10.503
 1018    H    THR 129           H        THR 129   5.668   4.760  11.142
 1019    HA   THR 129           HA       THR 129   5.192   7.412  10.232
 1020    HB   THR 129           HB       THR 129   7.802   6.119  11.145
 1021    HG1  THR 129           1HG      THR 129   6.252   5.834  12.715
 1022   1HG2  THR 129          1HG2      THR 129   6.886   9.033  11.170
 1023   2HG2  THR 129          2HG2      THR 129   8.360   8.408  11.946
 1024   3HG2  THR 129          3HG2      THR 129   8.198   8.350  10.187
 1025    H    LEU 130           H        LEU 130   7.229   4.782   8.862
 1026    HA   LEU 130           HA       LEU 130   8.367   6.296   6.736
 1027   1HB   LEU 130          1HB       LEU 130   8.719   3.772   7.698
 1028   2HB   LEU 130          2HB       LEU 130   7.654   3.384   6.375
 1029    HG   LEU 130           HG       LEU 130   9.749   3.067   5.497
 1030   1HD1  LEU 130          1HD1      LEU 130  10.242   4.718   3.802
 1031   2HD1  LEU 130          2HD1      LEU 130   8.490   4.570   3.955
 1032   3HD1  LEU 130          3HD1      LEU 130   9.327   5.967   4.660
 1033   1HD2  LEU 130          1HD2      LEU 130  11.689   4.584   5.807
 1034   2HD2  LEU 130          2HD2      LEU 130  10.683   5.636   6.832
 1035   3HD2  LEU 130          3HD2      LEU 130  11.051   3.978   7.342
 1036    H    LEU 131           H        LEU 131   5.410   4.290   6.945
 1037    HA   LEU 131           HA       LEU 131   4.566   4.630   4.261
 1038   1HB   LEU 131          1HB       LEU 131   3.253   3.694   6.817
 1039   2HB   LEU 131          2HB       LEU 131   2.226   4.181   5.485
 1040    HG   LEU 131           HG       LEU 131   3.340   2.567   3.979
 1041   1HD1  LEU 131          1HD1      LEU 131   4.724   0.788   4.762
 1042   2HD1  LEU 131          2HD1      LEU 131   5.489   2.283   5.322
 1043   3HD1  LEU 131          3HD1      LEU 131   4.553   1.293   6.450
 1044   1HD2  LEU 131          1HD2      LEU 131   2.205   0.586   4.929
 1045   2HD2  LEU 131          2HD2      LEU 131   2.074   1.415   6.493
 1046   3HD2  LEU 131          3HD2      LEU 131   1.215   2.044   5.066
 1047    H    GLU 132           H        GLU 132   3.895   6.549   7.221
 1048    HA   GLU 132           HA       GLU 132   1.884   8.163   6.103
 1049   1HB   GLU 132          1HB       GLU 132   2.501   7.848   8.509
 1050   2HB   GLU 132          2HB       GLU 132   3.890   8.902   8.278
 1051   1HG   GLU 132          1HG       GLU 132   0.963   9.655   7.841
 1052   2HG   GLU 132          2HG       GLU 132   1.867   9.966   9.319
 1053    H    ARG 133           H        ARG 133   5.469   8.842   6.291
 1054    HA   ARG 133           HA       ARG 133   5.173  11.240   4.767
 1055   1HB   ARG 133          1HB       ARG 133   7.491  11.392   4.593
 1056   2HB   ARG 133          2HB       ARG 133   7.146  10.778   6.204
 1057   1HG   ARG 133          1HG       ARG 133   7.905   8.534   5.556
 1058   2HG   ARG 133          2HG       ARG 133   8.106   9.055   3.866
 1059   1HD   ARG 133          1HD       ARG 133   9.747  10.782   4.639
 1060   2HD   ARG 133          2HD       ARG 133   9.643  10.116   6.264
 1061    HE   ARG 133           HE       ARG 133  10.697   8.751   3.809
 1062   1HH1  ARG 133          1HH2      ARG 133  10.649   8.936   7.363
 1063   2HH1  ARG 133          2HH2      ARG 133  12.018   7.909   7.565
 1064   1HH2  ARG 133          1HH1      ARG 133  12.516   7.442   4.063
 1065   2HH2  ARG 133          2HH1      ARG 133  13.079   6.998   5.646
 1066    H    SER 134           H        SER 134   5.733   7.870   3.746
 1067    HA   SER 134           HA       SER 134   6.276   8.453   1.009
 1068   1HB   SER 134          1HB       SER 134   4.990   6.033   2.317
 1069   2HB   SER 134          2HB       SER 134   5.656   6.082   0.676
 1070    HG   SER 134           HG       SER 134   6.986   6.264   3.175
 1071    H    ALA 135           H        ALA 135   3.193   7.774   2.759
 1072    HA   ALA 135           HA       ALA 135   1.502   7.909   0.497
 1073   1HB   ALA 135          1HB       ALA 135   0.933   8.565   3.420
 1074   2HB   ALA 135          2HB       ALA 135  -0.288   8.300   2.160
 1075   3HB   ALA 135          3HB       ALA 135   0.783   6.968   2.650
 1076    H    ARG 136           H        ARG 136   2.690  10.526   2.737
 1077    HA   ARG 136           HA       ARG 136   1.178  12.608   1.474
 1078   1HB   ARG 136          1HB       ARG 136   3.736  12.557   3.110
 1079   2HB   ARG 136          2HB       ARG 136   3.246  14.033   2.264
 1080   1HG   ARG 136          1HG       ARG 136   1.019  13.921   3.369
 1081   2HG   ARG 136          2HG       ARG 136   1.581  12.521   4.302
 1082   1HD   ARG 136          1HD       ARG 136   2.943  15.252   4.341
 1083   2HD   ARG 136          2HD       ARG 136   1.682  14.773   5.472
 1084    HE   ARG 136           HE       ARG 136   3.032  12.987   6.310
 1085   1HH1  ARG 136          1HH2      ARG 136   4.868  15.426   4.442
 1086   2HH1  ARG 136          2HH2      ARG 136   6.370  15.050   5.194
 1087   1HH2  ARG 136          1HH1      ARG 136   4.932  12.530   7.279
 1088   2HH2  ARG 136          2HH1      ARG 136   6.428  13.368   6.908
 1089    H    GLN 137           H        GLN 137   4.449  11.264   0.672
 1090    HA   GLN 137           HA       GLN 137   4.844  13.120  -1.449
 1091   1HB   GLN 137          1HB       GLN 137   6.043  10.368  -0.960
 1092   2HB   GLN 137          2HB       GLN 137   6.547  11.474  -2.249
 1093   1HG   GLN 137          1HG       GLN 137   7.115  13.209  -0.583
 1094   2HG   GLN 137          2HG       GLN 137   6.659  12.129   0.729
 1095   1HE2  GLN 137          2HE2      GLN 137   9.196  13.030  -1.458
 1096   2HE2  GLN 137          1HE2      GLN 137  10.293  11.709  -1.134
 1097    H    TRP 138           H        TRP 138   3.411   9.779  -1.516
 1098    HA   TRP 138           HA       TRP 138   2.848   9.816  -4.295
 1099   1HB   TRP 138          1HB       TRP 138   1.730   8.291  -1.942
 1100   2HB   TRP 138          2HB       TRP 138   0.876   8.255  -3.478
 1101    HD1  TRP 138           HD1      TRP 138   4.027   6.911  -1.857
 1102    HE1  TRP 138           HE1      TRP 138   5.321   5.435  -3.505
 1103    HE3  TRP 138           HE3      TRP 138   1.227   7.730  -6.066
 1104    HZ2  TRP 138           HZ2      TRP 138   5.158   4.677  -6.275
 1105    HZ3  TRP 138           HZ3      TRP 138   1.841   6.625  -8.208
 1106    HH2  TRP 138           HH2      TRP 138   3.805   5.117  -8.321
 1107    H    ALA 139           H        ALA 139   0.852  11.036  -1.539
 1108    HA   ALA 139           HA       ALA 139  -1.337  11.828  -3.148
 1109   1HB   ALA 139          1HB       ALA 139  -1.461  11.622  -0.702
 1110   2HB   ALA 139          2HB       ALA 139  -0.362  13.011  -0.516
 1111   3HB   ALA 139          3HB       ALA 139  -1.966  13.237  -1.244
 1112    H    GLN 140           H        GLN 140   1.668  13.604  -2.245
 1113    HA   GLN 140           HA       GLN 140   0.970  16.082  -3.424
 1114   1HB   GLN 140          1HB       GLN 140   2.842  15.867  -1.905
 1115   2HB   GLN 140          2HB       GLN 140   3.647  14.710  -2.958
 1116   1HG   GLN 140          1HG       GLN 140   4.763  16.825  -3.106
 1117   2HG   GLN 140          2HG       GLN 140   4.029  16.459  -4.655
 1118   1HE2  GLN 140          2HE2      GLN 140   2.028  17.674  -5.275
 1119   2HE2  GLN 140          1HE2      GLN 140   1.785  19.268  -4.578
 1120    H    ALA 141           H        ALA 141   2.555  13.159  -4.865
 1121    HA   ALA 141           HA       ALA 141   2.909  14.340  -7.445
 1122   1HB   ALA 141          1HB       ALA 141   3.238  12.024  -8.189
 1123   2HB   ALA 141          2HB       ALA 141   4.125  12.345  -6.681
 1124   3HB   ALA 141          3HB       ALA 141   2.611  11.411  -6.645
 1125    H    LEU 142           H        LEU 142   0.344  12.206  -6.131
 1126    HA   LEU 142           HA       LEU 142  -1.399  12.110  -8.328
 1127   1HB   LEU 142          1HB       LEU 142  -1.799  12.062  -5.334
 1128   2HB   LEU 142          2HB       LEU 142  -3.206  12.096  -6.369
 1129    HG   LEU 142           HG       LEU 142  -1.047   9.994  -6.757
 1130   1HD1  LEU 142          1HD1      LEU 142  -2.452   8.480  -5.383
 1131   2HD1  LEU 142          2HD1      LEU 142  -1.792   9.815  -4.434
 1132   3HD1  LEU 142          3HD1      LEU 142  -3.494   9.853  -4.942
 1133   1HD2  LEU 142          1HD2      LEU 142  -2.670  10.265  -8.608
 1134   2HD2  LEU 142          2HD2      LEU 142  -2.969   8.745  -7.761
 1135   3HD2  LEU 142          3HD2      LEU 142  -4.020  10.130  -7.463
 1136    H    ASN 143           H        ASN 143  -1.217  14.659  -5.783
 1137    HA   ASN 143           HA       ASN 143  -3.402  16.199  -6.755
 1138   1HB   ASN 143          1HB       ASN 143  -2.354  16.463  -4.493
 1139   2HB   ASN 143          2HB       ASN 143  -0.905  17.125  -5.272
 1140   1HD2  ASN 143          2HD2      ASN 143  -0.859  19.376  -5.288
 1141   2HD2  ASN 143          1HD2      ASN 143  -2.270  20.395  -5.335
 1142    H    ALA 144           H        ALA 144   0.084  16.262  -7.471
 1143    HA   ALA 144           HA       ALA 144  -0.053  18.510  -9.333
 1144   1HB   ALA 144          1HB       ALA 144   1.886  18.093  -7.802
 1145   2HB   ALA 144          2HB       ALA 144   2.191  16.559  -8.650
 1146   3HB   ALA 144          3HB       ALA 144   2.344  18.117  -9.503
 1147    H    GLU 145           H        GLU 145   1.813  17.204 -11.012
 1148    HA   GLU 145           HA       GLU 145   1.708  16.643 -13.270
 1149   1HB   GLU 145          1HB       GLU 145   1.259  14.242 -11.502
 1150   2HB   GLU 145          2HB       GLU 145   1.763  14.075 -13.197
 1151   1HG   GLU 145          1HG       GLU 145   3.317  15.475 -10.979
 1152   2HG   GLU 145          2HG       GLU 145   3.644  13.875 -11.622
 1153    H    GLN 146           H        GLN 146  -0.816  17.742 -12.703
 1154    HA   GLN 146           HA       GLN 146  -2.826  16.103 -13.992
 1155   1HB   GLN 146          1HB       GLN 146  -2.728  19.107 -13.434
 1156   2HB   GLN 146          2HB       GLN 146  -4.150  18.213 -13.979
 1157   1HG   GLN 146          1HG       GLN 146  -2.725  17.893 -11.302
 1158   2HG   GLN 146          2HG       GLN 146  -4.265  18.678 -11.577
 1159   1HE2  GLN 146          2HE2      GLN 146  -2.782  15.699 -10.755
 1160   2HE2  GLN 146          1HE2      GLN 146  -4.212  14.703 -10.863
 1161    H    VAL 147           H        VAL 147  -3.693  16.492 -16.042
 1162    HA   VAL 147           HA       VAL 147  -2.025  17.755 -18.104
 1163    HB   VAL 147           HB       VAL 147  -2.137  15.497 -19.331
 1164   1HG1  VAL 147          1HG1      VAL 147  -0.313  15.603 -16.890
 1165   2HG1  VAL 147          2HG1      VAL 147  -0.041  14.705 -18.393
 1166   3HG1  VAL 147          3HG1      VAL 147  -0.037  16.474 -18.415
 1167   1HG2  VAL 147          1HG2      VAL 147  -2.159  13.447 -17.983
 1168   2HG2  VAL 147          2HG2      VAL 147  -2.462  14.370 -16.496
 1169   3HG2  VAL 147          3HG2      VAL 147  -3.692  14.303 -17.781
  Start of MODEL    2
    1    H    MET   1           H        MET   1  -4.538  10.435 -15.848
    2    HA   MET   1           HA       MET   1  -3.362  10.102 -13.771
    3   1HB   MET   1          1HB       MET   1  -5.046  11.947 -14.058
    4   2HB   MET   1          2HB       MET   1  -6.267  10.931 -13.294
    5   1HG   MET   1          1HG       MET   1  -3.638  11.669 -11.947
    6   2HG   MET   1          2HG       MET   1  -5.058  12.708 -11.894
    7   1HE   MET   1          1HE       MET   1  -4.657  12.695  -9.202
    8   2HE   MET   1          2HE       MET   1  -4.678  11.194  -8.241
    9   3HE   MET   1          3HE       MET   1  -3.347  11.513  -9.396
   10    H    PHE   2           H        PHE   2  -3.184   8.981 -11.770
   11    HA   PHE   2           HA       PHE   2  -4.217   6.313 -11.648
   12   1HB   PHE   2          1HB       PHE   2  -2.812   7.929  -9.502
   13   2HB   PHE   2          2HB       PHE   2  -2.933   6.180  -9.590
   14    HD1  PHE   2           HD1      PHE   2  -2.129   5.625 -12.429
   15    HD2  PHE   2           HD2      PHE   2  -0.529   8.396  -9.536
   16    HE1  PHE   2           HE1      PHE   2   0.098   5.456 -13.491
   17    HE2  PHE   2           HE2      PHE   2   1.690   8.228 -10.604
   18    HZ   PHE   2           HZ       PHE   2   2.020   6.742 -12.576
   19    H    ASN   3           H        ASN   3  -6.584   7.444 -11.796
   20    HA   ASN   3           HA       ASN   3  -7.724   8.625  -9.509
   21   1HB   ASN   3          1HB       ASN   3  -8.771   8.711 -11.721
   22   2HB   ASN   3          2HB       ASN   3  -9.050   6.964 -11.684
   23   1HD2  ASN   3          2HD2      ASN   3  -9.896  10.042  -9.978
   24   2HD2  ASN   3          1HD2      ASN   3 -11.415   9.457  -9.361
   25    H    ASN   4           H        ASN   4  -7.310   5.210 -10.330
   26    HA   ASN   4           HA       ASN   4  -8.587   4.409  -7.744
   27   1HB   ASN   4          1HB       ASN   4 -10.040   4.030  -9.742
   28   2HB   ASN   4          2HB       ASN   4  -8.750   3.073 -10.481
   29   1HD2  ASN   4          2HD2      ASN   4 -10.130   1.137 -10.523
   30   2HD2  ASN   4          1HD2      ASN   4 -10.432   0.279  -9.037
   31    H    ILE   5           H        ILE   5  -7.133   3.420  -6.440
   32    HA   ILE   5           HA       ILE   5  -4.692   2.195  -7.687
   33    HB   ILE   5           HB       ILE   5  -5.060   4.015  -5.275
   34   1HG1  ILE   5          1HG1      ILE   5  -3.232   4.463  -7.661
   35   2HG1  ILE   5          2HG1      ILE   5  -4.903   5.003  -7.674
   36   1HG2  ILE   5          1HG2      ILE   5  -3.386   2.368  -4.606
   37   2HG2  ILE   5          2HG2      ILE   5  -2.514   2.572  -6.142
   38   3HG2  ILE   5          3HG2      ILE   5  -2.572   3.879  -4.943
   39   1HD1  ILE   5          1HD1      ILE   5  -3.493   6.834  -7.051
   40   2HD1  ILE   5          2HD1      ILE   5  -4.521   6.386  -5.679
   41   3HD1  ILE   5          3HD1      ILE   5  -2.794   5.935  -5.702
   42    H    LEU   6           H        LEU   6  -3.783   0.399  -6.648
   43    HA   LEU   6           HA       LEU   6  -5.361  -0.817  -4.408
   44   1HB   LEU   6          1HB       LEU   6  -6.028  -1.631  -6.606
   45   2HB   LEU   6          2HB       LEU   6  -4.406  -2.173  -6.961
   46    HG   LEU   6           HG       LEU   6  -6.089  -3.918  -6.379
   47   1HD1  LEU   6          1HD1      LEU   6  -4.682  -5.316  -5.137
   48   2HD1  LEU   6          2HD1      LEU   6  -3.645  -4.292  -6.122
   49   3HD1  LEU   6          3HD1      LEU   6  -3.827  -3.946  -4.387
   50   1HD2  LEU   6          1HD2      LEU   6  -7.297  -2.686  -4.599
   51   2HD2  LEU   6          2HD2      LEU   6  -6.802  -4.313  -4.107
   52   3HD2  LEU   6          3HD2      LEU   6  -5.892  -2.904  -3.524
   53    H    VAL   7           H        VAL   7  -4.010  -0.977  -2.716
   54    HA   VAL   7           HA       VAL   7  -1.111  -1.049  -3.132
   55    HB   VAL   7           HB       VAL   7  -2.720  -1.128  -0.544
   56   1HG1  VAL   7          1HG1      VAL   7  -0.617  -0.263   0.448
   57   2HG1  VAL   7          2HG1      VAL   7  -0.378  -1.853  -0.256
   58   3HG1  VAL   7          3HG1      VAL   7   0.197  -0.411  -1.121
   59   1HG2  VAL   7          1HG2      VAL   7  -2.232   1.306  -0.374
   60   2HG2  VAL   7          2HG2      VAL   7  -1.554   1.283  -2.017
   61   3HG2  VAL   7          3HG2      VAL   7  -3.279   0.953  -1.744
   62    H    VAL   8           H        VAL   8   0.219  -2.857  -2.724
   63    HA   VAL   8           HA       VAL   8  -1.146  -5.432  -2.069
   64    HB   VAL   8           HB       VAL   8   0.891  -4.936  -4.282
   65   1HG1  VAL   8          1HG1      VAL   8   1.014  -7.226  -3.290
   66   2HG1  VAL   8          2HG1      VAL   8  -0.736  -7.429  -3.573
   67   3HG1  VAL   8          3HG1      VAL   8   0.383  -7.254  -4.931
   68   1HG2  VAL   8          1HG2      VAL   8  -2.069  -5.585  -4.532
   69   2HG2  VAL   8          2HG2      VAL   8  -1.337  -4.002  -4.896
   70   3HG2  VAL   8          3HG2      VAL   8  -0.906  -5.397  -5.863
   71    H    CYS   9           H        CYS   9  -0.159  -6.439  -0.408
   72    HA   CYS   9           HA       CYS   9   2.779  -6.041   0.012
   73   1HB   CYS   9          1HB       CYS   9   0.627  -5.929   2.177
   74   2HB   CYS   9          2HB       CYS   9   2.367  -5.741   2.411
   75    HG   CYS   9           HG       CYS   9   0.067  -3.848   1.166
   76    H    VAL  10           H        VAL  10   3.389  -7.609   2.023
   77    HA   VAL  10           HA       VAL  10   2.242 -10.308   1.391
   78    HB   VAL  10           HB       VAL  10   4.252 -11.168   2.614
   79   1HG1  VAL  10          1HG1      VAL  10   4.779  -9.569   0.070
   80   2HG1  VAL  10          2HG1      VAL  10   5.770 -10.913   0.682
   81   3HG1  VAL  10          3HG1      VAL  10   4.105 -11.209   0.165
   82   1HG2  VAL  10          1HG2      VAL  10   6.247  -9.799   2.863
   83   2HG2  VAL  10          2HG2      VAL  10   5.415  -8.364   2.243
   84   3HG2  VAL  10          3HG2      VAL  10   4.940  -9.073   3.804
   85    H    GLY  11           H        GLY  11   1.369 -11.489   3.177
   86   1HA   GLY  11          1HA       GLY  11   0.335 -11.728   5.236
   87   2HA   GLY  11          2HA       GLY  11   1.132 -10.259   5.820
   88    H    ASN  12           H        ASN  12   0.262  -8.465   3.790
   89    HA   ASN  12           HA       ASN  12  -1.374  -7.199   2.961
   90   1HB   ASN  12          1HB       ASN  12  -2.347  -9.267   2.079
   91   2HB   ASN  12          2HB       ASN  12  -3.326  -9.451   3.539
   92   1HD2  ASN  12          1HD2      ASN  12  -3.445  -6.126   3.073
   93   2HD2  ASN  12          2HD2      ASN  12  -4.755  -6.104   1.901
   94    H    ILE  13           H        ILE  13  -2.562  -8.790   5.961
   95    HA   ILE  13           HA       ILE  13  -4.425  -6.799   6.574
   96    HB   ILE  13           HB       ILE  13  -4.531  -7.885   8.790
   97   1HG1  ILE  13          1HG1      ILE  13  -2.207  -9.644   7.868
   98   2HG1  ILE  13          2HG1      ILE  13  -2.069  -8.346   9.047
   99   1HG2  ILE  13          1HG2      ILE  13  -4.349  -9.880   6.482
  100   2HG2  ILE  13          2HG2      ILE  13  -5.296 -10.042   7.972
  101   3HG2  ILE  13          3HG2      ILE  13  -5.718  -8.786   6.823
  102   1HD1  ILE  13          1HD1      ILE  13  -3.777  -9.513  10.481
  103   2HD1  ILE  13          2HD1      ILE  13  -3.710 -10.885   9.346
  104   3HD1  ILE  13          3HD1      ILE  13  -2.264 -10.410  10.250
  105    H    CYS  14           H        CYS  14  -1.215  -6.068   6.577
  106    HA   CYS  14           HA       CYS  14  -1.417  -4.304   8.998
  107   1HB   CYS  14          1HB       CYS  14   1.123  -5.592   7.891
  108   2HB   CYS  14          2HB       CYS  14   0.987  -4.520   9.291
  109    HG   CYS  14           HG       CYS  14  -0.627  -6.099  10.647
  110    H    ARG  15           H        ARG  15   0.867  -4.479   6.190
  111    HA   ARG  15           HA       ARG  15   1.149  -1.646   6.092
  112   1HB   ARG  15          1HB       ARG  15   1.656  -3.861   4.097
  113   2HB   ARG  15          2HB       ARG  15   1.972  -2.169   3.701
  114   1HG   ARG  15          1HG       ARG  15   3.760  -2.035   5.330
  115   2HG   ARG  15          2HG       ARG  15   3.407  -3.693   5.905
  116   1HD   ARG  15          1HD       ARG  15   3.778  -4.594   3.672
  117   2HD   ARG  15          2HD       ARG  15   4.030  -2.980   2.997
  118    HE   ARG  15           HE       ARG  15   6.056  -3.208   4.861
  119   1HH1  ARG  15          1HH2      ARG  15   4.954  -5.139   2.072
  120   2HH1  ARG  15          2HH2      ARG  15   6.510  -5.804   1.727
  121   1HH2  ARG  15          1HH1      ARG  15   8.156  -3.907   4.208
  122   2HH2  ARG  15          2HH1      ARG  15   8.334  -5.189   3.037
  123    H    SER  16           H        SER  16  -0.773  -3.848   3.904
  124    HA   SER  16           HA       SER  16  -1.449  -1.859   2.144
  125   1HB   SER  16          1HB       SER  16  -3.357  -4.108   2.693
  126   2HB   SER  16          2HB       SER  16  -2.964  -3.308   1.161
  127    HG   SER  16           HG       SER  16  -1.915  -5.229   1.131
  128    HA   PRO  17           HA       PRO  17  -5.561  -0.763   4.259
  129   1HB   PRO  17          1HB       PRO  17  -5.912  -1.194   6.969
  130   2HB   PRO  17          2HB       PRO  17  -6.477  -2.278   5.674
  131   1HG   PRO  17          1HG       PRO  17  -3.955  -2.503   7.331
  132   2HG   PRO  17          2HG       PRO  17  -5.121  -3.796   6.903
  133   1HD   PRO  17          1HD       PRO  17  -2.809  -3.472   5.542
  134   2HD   PRO  17          2HD       PRO  17  -4.313  -3.928   4.697
  135    H    THR  18           H        THR  18  -2.561  -0.639   6.229
  136    HA   THR  18           HA       THR  18  -3.156   1.887   7.485
  137    HB   THR  18           HB       THR  18  -0.464   0.563   6.903
  138    HG1  THR  18           1HG      THR  18  -1.436  -0.878   8.131
  139   1HG2  THR  18          1HG2      THR  18  -1.313   2.639   8.965
  140   2HG2  THR  18          2HG2      THR  18   0.252   1.788   8.960
  141   3HG2  THR  18          3HG2      THR  18  -0.164   2.872   7.630
  142    H    ALA  19           H        ALA  19  -1.291   0.916   4.553
  143    HA   ALA  19           HA       ALA  19  -0.640   3.535   3.650
  144   1HB   ALA  19          1HB       ALA  19  -0.535   2.236   1.403
  145   2HB   ALA  19          2HB       ALA  19   0.515   1.676   2.736
  146   3HB   ALA  19          3HB       ALA  19  -0.993   0.815   2.345
  147    H    GLU  20           H        GLU  20  -3.411   1.359   2.813
  148    HA   GLU  20           HA       GLU  20  -4.659   2.927   0.894
  149   1HB   GLU  20          1HB       GLU  20  -5.376   0.653   1.498
  150   2HB   GLU  20          2HB       GLU  20  -5.872   1.204   3.100
  151   1HG   GLU  20          1HG       GLU  20  -7.572   2.724   1.933
  152   2HG   GLU  20          2HG       GLU  20  -7.152   1.871   0.447
  153    H    ARG  21           H        ARG  21  -5.199   3.027   4.463
  154    HA   ARG  21           HA       ARG  21  -7.046   5.229   4.154
  155   1HB   ARG  21          1HB       ARG  21  -5.688   4.094   6.644
  156   2HB   ARG  21          2HB       ARG  21  -7.016   5.259   6.651
  157   1HG   ARG  21          1HG       ARG  21  -7.199   2.476   5.461
  158   2HG   ARG  21          2HG       ARG  21  -7.759   2.930   7.063
  159   1HD   ARG  21          1HD       ARG  21  -9.535   4.216   6.263
  160   2HD   ARG  21          2HD       ARG  21  -8.840   4.420   4.651
  161    HE   ARG  21           HE       ARG  21  -9.362   2.241   4.008
  162   1HH1  ARG  21          1HH2      ARG  21 -10.595   2.748   7.358
  163   2HH1  ARG  21          2HH2      ARG  21 -11.555   1.289   7.244
  164   1HH2  ARG  21          1HH1      ARG  21 -10.442   0.409   4.039
  165   2HH2  ARG  21          2HH1      ARG  21 -11.461  -0.064   5.414
  166    H    LEU  22           H        LEU  22  -3.549   5.095   4.922
  167    HA   LEU  22           HA       LEU  22  -3.378   7.850   5.688
  168   1HB   LEU  22          1HB       LEU  22  -1.422   5.840   4.527
  169   2HB   LEU  22          2HB       LEU  22  -0.941   7.514   4.762
  170    HG   LEU  22           HG       LEU  22  -2.115   5.875   7.050
  171   1HD1  LEU  22          1HD1      LEU  22  -0.154   4.688   6.239
  172   2HD1  LEU  22          2HD1      LEU  22   0.785   6.174   6.200
  173   3HD1  LEU  22          3HD1      LEU  22   0.249   5.507   7.760
  174   1HD2  LEU  22          1HD2      LEU  22  -0.807   7.588   8.381
  175   2HD2  LEU  22          2HD2      LEU  22  -0.513   8.465   6.870
  176   3HD2  LEU  22          3HD2      LEU  22  -2.166   8.255   7.479
  177    H    LEU  23           H        LEU  23  -3.015   6.254   2.482
  178    HA   LEU  23           HA       LEU  23  -2.576   8.656   0.990
  179   1HB   LEU  23          1HB       LEU  23  -3.783   5.951   0.287
  180   2HB   LEU  23          2HB       LEU  23  -3.567   7.219  -0.914
  181    HG   LEU  23           HG       LEU  23  -1.233   6.182   0.740
  182   1HD1  LEU  23          1HD1      LEU  23  -2.284   5.153  -1.929
  183   2HD1  LEU  23          2HD1      LEU  23  -0.679   4.791  -1.267
  184   3HD1  LEU  23          3HD1      LEU  23  -2.119   4.246  -0.401
  185   1HD2  LEU  23          1HD2      LEU  23   0.105   7.059  -1.130
  186   2HD2  LEU  23          2HD2      LEU  23  -1.367   7.623  -1.947
  187   3HD2  LEU  23          3HD2      LEU  23  -0.863   8.349  -0.407
  188    H    GLN  24           H        GLN  24  -5.608   6.916   1.897
  189    HA   GLN  24           HA       GLN  24  -7.243   8.724   0.414
  190   1HB   GLN  24          1HB       GLN  24  -7.810   6.382   0.968
  191   2HB   GLN  24          2HB       GLN  24  -8.050   6.839   2.666
  192   1HG   GLN  24          1HG       GLN  24  -9.960   8.170   2.136
  193   2HG   GLN  24          2HG       GLN  24  -9.504   8.291   0.430
  194   1HE2  GLN  24          2HE2      GLN  24 -10.130   6.749  -1.027
  195   2HE2  GLN  24          1HE2      GLN  24 -11.060   5.315  -0.577
  196    H    ARG  25           H        ARG  25  -6.074   8.814   3.809
  197    HA   ARG  25           HA       ARG  25  -7.775  10.876   4.723
  198   1HB   ARG  25          1HB       ARG  25  -6.171   9.528   6.121
  199   2HB   ARG  25          2HB       ARG  25  -4.832  10.417   5.389
  200   1HG   ARG  25          1HG       ARG  25  -5.902  12.563   6.319
  201   2HG   ARG  25          2HG       ARG  25  -7.062  11.519   7.151
  202   1HD   ARG  25          1HD       ARG  25  -5.324  12.070   8.714
  203   2HD   ARG  25          2HD       ARG  25  -5.120  10.365   8.274
  204    HE   ARG  25           HE       ARG  25  -3.576  12.182   6.606
  205   1HH1  ARG  25          1HH2      ARG  25  -3.461  10.521   9.792
  206   2HH1  ARG  25          2HH2      ARG  25  -1.703  10.538   9.794
  207   1HH2  ARG  25          1HH1      ARG  25  -1.225  12.161   6.801
  208   2HH2  ARG  25          2HH1      ARG  25  -0.550  11.417   8.232
  209    H    TYR  26           H        TYR  26  -4.613  11.014   3.001
  210    HA   TYR  26           HA       TYR  26  -4.645  13.863   2.727
  211   1HB   TYR  26          1HB       TYR  26  -3.188  11.743   1.107
  212   2HB   TYR  26          2HB       TYR  26  -2.911  13.478   1.013
  213    HD1  TYR  26           HD1      TYR  26  -2.657  14.568   3.583
  214    HD2  TYR  26           HD2      TYR  26  -1.410  10.663   2.230
  215    HE1  TYR  26           HE1      TYR  26  -0.914  14.529   5.320
  216    HE2  TYR  26           HE2      TYR  26   0.354  10.626   3.968
  217    HH   TYR  26           HH       TYR  26   1.416  11.808   5.654
  218    H    HIS  27           H        HIS  27  -6.124  11.277   0.740
  219    HA   HIS  27           HA       HIS  27  -7.301  13.365  -1.001
  220   1HB   HIS  27          1HB       HIS  27  -5.361  11.252  -1.780
  221   2HB   HIS  27          2HB       HIS  27  -6.800  11.360  -2.782
  222    HD1  HIS  27           HD1      HIS  27  -7.435  14.181  -3.262
  223    HD2  HIS  27           HD2      HIS  27  -3.491  12.739  -2.929
  224    HE1  HIS  27           HE1      HIS  27  -5.932  15.866  -4.495
  225    HA   PRO  28           HA       PRO  28 -10.418  10.406   0.595
  226   1HB   PRO  28          1HB       PRO  28 -12.462  12.183   1.060
  227   2HB   PRO  28          2HB       PRO  28 -11.107  11.901   2.195
  228   1HG   PRO  28          1HG       PRO  28 -11.372  14.099   0.121
  229   2HG   PRO  28          2HG       PRO  28 -10.925  14.259   1.852
  230   1HD   PRO  28          1HD       PRO  28  -9.046  14.178  -0.104
  231   2HD   PRO  28          2HD       PRO  28  -8.766  13.367   1.466
  232    H    GLU  29           H        GLU  29 -10.229  12.426  -2.200
  233    HA   GLU  29           HA       GLU  29 -12.729  11.260  -3.329
  234   1HB   GLU  29          1HB       GLU  29 -12.820  13.107  -4.802
  235   2HB   GLU  29          2HB       GLU  29 -12.664  13.700  -3.159
  236   1HG   GLU  29          1HG       GLU  29 -10.345  13.548  -5.139
  237   2HG   GLU  29          2HG       GLU  29 -11.376  14.949  -4.938
  238    H    LEU  30           H        LEU  30  -9.720  10.240  -3.202
  239    HA   LEU  30           HA       LEU  30  -9.676   9.278  -6.038
  240   1HB   LEU  30          1HB       LEU  30  -7.377   9.647  -4.070
  241   2HB   LEU  30          2HB       LEU  30  -7.267   8.585  -5.448
  242    HG   LEU  30           HG       LEU  30  -6.172  10.760  -5.773
  243   1HD1  LEU  30          1HD1      LEU  30  -6.759   9.389  -7.660
  244   2HD1  LEU  30          2HD1      LEU  30  -8.416  10.046  -7.700
  245   3HD1  LEU  30          3HD1      LEU  30  -7.037  11.089  -8.080
  246   1HD2  LEU  30          1HD2      LEU  30  -7.949  12.213  -4.689
  247   2HD2  LEU  30          2HD2      LEU  30  -7.329  12.776  -6.249
  248   3HD2  LEU  30          3HD2      LEU  30  -8.915  11.990  -6.163
  249    H    LYS  31           H        LYS  31  -9.472   6.923  -6.190
  250    HA   LYS  31           HA       LYS  31 -10.724   5.678  -3.786
  251   1HB   LYS  31          1HB       LYS  31 -11.978   5.351  -5.881
  252   2HB   LYS  31          2HB       LYS  31 -10.530   4.739  -6.676
  253   1HG   LYS  31          1HG       LYS  31 -11.869   2.855  -6.130
  254   2HG   LYS  31          2HG       LYS  31 -10.484   2.819  -5.063
  255   1HD   LYS  31          1HD       LYS  31 -11.956   2.457  -3.400
  256   2HD   LYS  31          2HD       LYS  31 -12.318   4.171  -3.482
  257   1HE   LYS  31          1HE       LYS  31 -14.376   2.929  -3.485
  258   2HE   LYS  31          2HE       LYS  31 -14.189   3.698  -5.064
  259   1HZ   LYS  31          1HZ       LYS  31 -13.470   0.856  -4.527
  260   2HZ   LYS  31          2HZ       LYS  31 -14.923   1.338  -5.128
  261   3HZ   LYS  31          3HZ       LYS  31 -13.560   1.589  -5.987
  262    H    VAL  32           H        VAL  32  -9.463   4.371  -2.558
  263    HA   VAL  32           HA       VAL  32  -7.013   3.198  -3.739
  264    HB   VAL  32           HB       VAL  32  -7.065   4.474  -0.969
  265   1HG1  VAL  32          1HG1      VAL  32  -4.623   4.166  -1.104
  266   2HG1  VAL  32          2HG1      VAL  32  -5.439   2.616  -1.343
  267   3HG1  VAL  32          3HG1      VAL  32  -4.771   3.488  -2.736
  268   1HG2  VAL  32          1HG2      VAL  32  -5.580   6.252  -1.873
  269   2HG2  VAL  32          2HG2      VAL  32  -5.897   5.670  -3.521
  270   3HG2  VAL  32          3HG2      VAL  32  -7.209   6.349  -2.529
  271    H    GLU  33           H        GLU  33  -6.939   1.064  -3.234
  272    HA   GLU  33           HA       GLU  33  -8.497   0.056  -0.891
  273   1HB   GLU  33          1HB       GLU  33  -8.568  -0.963  -3.756
  274   2HB   GLU  33          2HB       GLU  33  -9.114  -1.884  -2.343
  275   1HG   GLU  33          1HG       GLU  33 -10.761  -0.137  -1.808
  276   2HG   GLU  33          2HG       GLU  33 -10.281   0.749  -3.268
  277    H    SER  34           H        SER  34  -7.852  -2.427  -0.661
  278    HA   SER  34           HA       SER  34  -4.884  -2.631  -0.907
  279   1HB   SER  34          1HB       SER  34  -5.150  -3.609   1.470
  280   2HB   SER  34          2HB       SER  34  -5.250  -1.850   1.265
  281    HG   SER  34           HG       SER  34  -7.401  -1.896   1.543
  282    H    ALA  35           H        ALA  35  -3.974  -4.677  -0.941
  283    HA   ALA  35           HA       ALA  35  -5.501  -7.135  -0.607
  284   1HB   ALA  35          1HB       ALA  35  -5.090  -7.985  -2.871
  285   2HB   ALA  35          2HB       ALA  35  -5.993  -6.474  -3.022
  286   3HB   ALA  35          3HB       ALA  35  -4.234  -6.499  -3.312
  287    H    GLY  36           H        GLY  36  -3.683  -8.964  -1.457
  288   1HA   GLY  36          1HA       GLY  36  -0.947  -7.928  -1.200
  289   2HA   GLY  36          2HA       GLY  36  -1.458  -9.078   0.029
  290    H    LEU  37           H        LEU  37   0.739  -9.443  -1.615
  291    HA   LEU  37           HA       LEU  37   0.089 -11.259  -3.814
  292   1HB   LEU  37          1HB       LEU  37   2.153  -9.716  -3.499
  293   2HB   LEU  37          2HB       LEU  37   2.776 -10.943  -2.403
  294    HG   LEU  37           HG       LEU  37   2.024 -11.342  -5.332
  295   1HD1  LEU  37          1HD1      LEU  37   4.399 -11.382  -5.780
  296   2HD1  LEU  37          2HD1      LEU  37   4.010  -9.877  -4.941
  297   3HD1  LEU  37          3HD1      LEU  37   4.785 -11.201  -4.049
  298   1HD2  LEU  37          1HD2      LEU  37   3.385 -13.470  -5.138
  299   2HD2  LEU  37          2HD2      LEU  37   3.344 -13.272  -3.372
  300   3HD2  LEU  37          3HD2      LEU  37   1.844 -13.513  -4.305
  301    H    GLY  38           H        GLY  38   1.398 -11.497  -0.476
  302   1HA   GLY  38          1HA       GLY  38   0.549 -14.368  -0.333
  303   2HA   GLY  38          2HA       GLY  38   1.820 -13.614   0.647
  304    H    ALA  39           H        ALA  39  -1.578 -12.816  -0.261
  305    HA   ALA  39           HA       ALA  39  -2.066 -11.456   2.242
  306   1HB   ALA  39          1HB       ALA  39  -3.138 -10.852   0.043
  307   2HB   ALA  39          2HB       ALA  39  -4.012 -12.400   0.090
  308   3HB   ALA  39          3HB       ALA  39  -4.328 -11.153   1.309
  309    H    LEU  40           H        LEU  40  -4.136 -11.935   3.462
  310    HA   LEU  40           HA       LEU  40  -4.530 -14.867   3.943
  311   1HB   LEU  40          1HB       LEU  40  -4.621 -12.510   5.879
  312   2HB   LEU  40          2HB       LEU  40  -5.058 -14.170   6.276
  313    HG   LEU  40           HG       LEU  40  -2.271 -13.295   5.386
  314   1HD1  LEU  40          1HD1      LEU  40  -1.648 -13.541   7.755
  315   2HD1  LEU  40          2HD1      LEU  40  -2.858 -12.274   7.523
  316   3HD1  LEU  40          3HD1      LEU  40  -3.347 -13.854   8.180
  317   1HD2  LEU  40          1HD2      LEU  40  -3.270 -15.921   6.581
  318   2HD2  LEU  40          2HD2      LEU  40  -2.674 -15.676   4.923
  319   3HD2  LEU  40          3HD2      LEU  40  -1.569 -15.500   6.286
  320    H    VAL  41           H        VAL  41  -6.209 -14.948   2.400
  321    HA   VAL  41           HA       VAL  41  -8.173 -13.118   1.854
  322    HB   VAL  41           HB       VAL  41  -9.295 -15.346   1.235
  323   1HG1  VAL  41          1HG1      VAL  41  -7.794 -15.634  -0.737
  324   2HG1  VAL  41          2HG1      VAL  41  -8.232 -13.957  -0.422
  325   3HG1  VAL  41          3HG1      VAL  41  -6.619 -14.558   0.049
  326   1HG2  VAL  41          1HG2      VAL  41  -8.030 -17.339   1.023
  327   2HG2  VAL  41          2HG2      VAL  41  -6.580 -16.588   1.697
  328   3HG2  VAL  41          3HG2      VAL  41  -8.009 -16.869   2.724
  329    H    GLY  42           H        GLY  42  -9.690 -12.217   3.028
  330   1HA   GLY  42          1HA       GLY  42 -11.766 -12.284   4.069
  331   2HA   GLY  42          2HA       GLY  42 -11.452 -13.917   4.663
  332    H    LYS  43           H        LYS  43  -8.694 -12.068   5.458
  333    HA   LYS  43           HA       LYS  43  -9.633 -12.074   8.276
  334   1HB   LYS  43          1HB       LYS  43  -6.911 -11.772   6.965
  335   2HB   LYS  43          2HB       LYS  43  -7.167 -11.363   8.654
  336   1HG   LYS  43          1HG       LYS  43  -6.262 -13.667   8.287
  337   2HG   LYS  43          2HG       LYS  43  -7.727 -13.592   9.272
  338   1HD   LYS  43          1HD       LYS  43  -9.109 -14.355   7.487
  339   2HD   LYS  43          2HD       LYS  43  -7.802 -14.147   6.304
  340   1HE   LYS  43          1HE       LYS  43  -6.560 -16.002   7.263
  341   2HE   LYS  43          2HE       LYS  43  -7.774 -16.205   8.539
  342   1HZ   LYS  43          1HZ       LYS  43  -8.464 -16.399   5.660
  343   2HZ   LYS  43          2HZ       LYS  43  -8.024 -17.710   6.559
  344   3HZ   LYS  43          3HZ       LYS  43  -9.367 -16.869   6.934
  345    H    GLY  44           H        GLY  44  -9.701 -10.275   9.601
  346   1HA   GLY  44          1HA       GLY  44 -10.227  -7.717   8.347
  347   2HA   GLY  44          2HA       GLY  44 -10.176  -8.070  10.078
  348    H    ALA  45           H        ALA  45  -9.116  -5.760   9.472
  349    HA   ALA  45           HA       ALA  45  -6.312  -5.722   8.819
  350   1HB   ALA  45          1HB       ALA  45  -6.379  -3.476   9.967
  351   2HB   ALA  45          2HB       ALA  45  -7.558  -3.661   8.663
  352   3HB   ALA  45          3HB       ALA  45  -8.090  -3.772  10.349
  353    H    ASP  46           H        ASP  46  -4.527  -5.593  10.202
  354    HA   ASP  46           HA       ASP  46  -4.574  -7.476  12.331
  355   1HB   ASP  46          1HB       ASP  46  -2.653  -6.991  10.839
  356   2HB   ASP  46          2HB       ASP  46  -2.451  -5.412  11.602
  357    HA   PRO  47           HA       PRO  47  -5.918  -4.726  15.561
  358   1HB   PRO  47          1HB       PRO  47  -5.015  -6.001  17.842
  359   2HB   PRO  47          2HB       PRO  47  -6.440  -6.505  16.886
  360   1HG   PRO  47          1HG       PRO  47  -3.612  -7.586  16.728
  361   2HG   PRO  47          2HG       PRO  47  -5.149  -8.507  16.812
  362   1HD   PRO  47          1HD       PRO  47  -3.902  -8.076  14.453
  363   2HD   PRO  47          2HD       PRO  47  -5.684  -7.982  14.558
  364    H    THR  48           H        THR  48  -2.470  -5.505  15.220
  365    HA   THR  48           HA       THR  48  -1.611  -3.471  17.138
  366    HB   THR  48           HB       THR  48   0.223  -4.421  14.976
  367    HG1  THR  48           1HG      THR  48  -0.797  -6.270  15.259
  368   1HG2  THR  48          1HG2      THR  48   1.787  -4.678  16.864
  369   2HG2  THR  48          2HG2      THR  48   1.035  -3.073  16.870
  370   3HG2  THR  48          3HG2      THR  48   0.477  -4.321  18.012
  371    H    ALA  49           H        ALA  49  -2.042  -3.826  13.583
  372    HA   ALA  49           HA       ALA  49  -1.085  -1.221  12.878
  373   1HB   ALA  49          1HB       ALA  49  -1.368  -3.070  11.250
  374   2HB   ALA  49          2HB       ALA  49  -3.126  -3.020  11.487
  375   3HB   ALA  49          3HB       ALA  49  -2.284  -1.633  10.765
  376    H    ILE  50           H        ILE  50  -4.384  -2.496  13.629
  377    HA   ILE  50           HA       ILE  50  -5.774  -0.043  13.356
  378    HB   ILE  50           HB       ILE  50  -6.268  -2.415  15.176
  379   1HG1  ILE  50          1HG1      ILE  50  -7.734  -1.644  12.609
  380   2HG1  ILE  50          2HG1      ILE  50  -6.367  -2.745  12.610
  381   1HG2  ILE  50          1HG2      ILE  50  -8.186  -0.128  14.514
  382   2HG2  ILE  50          2HG2      ILE  50  -8.612  -1.591  15.426
  383   3HG2  ILE  50          3HG2      ILE  50  -7.467  -0.457  16.104
  384   1HD1  ILE  50          1HD1      ILE  50  -8.406  -4.036  12.585
  385   2HD1  ILE  50          2HD1      ILE  50  -7.613  -4.278  14.147
  386   3HD1  ILE  50          3HD1      ILE  50  -9.032  -3.215  14.009
  387    H    SER  51           H        SER  51  -4.119  -1.442  16.288
  388    HA   SER  51           HA       SER  51  -4.880   0.645  18.023
  389   1HB   SER  51          1HB       SER  51  -2.351  -1.058  18.098
  390   2HB   SER  51          2HB       SER  51  -3.012  -0.103  19.436
  391    HG   SER  51           HG       SER  51  -4.167  -2.358  18.141
  392    H    VAL  52           H        VAL  52  -1.855   0.343  16.042
  393    HA   VAL  52           HA       VAL  52  -0.814   2.865  16.903
  394    HB   VAL  52           HB       VAL  52  -0.251   1.129  14.465
  395   1HG1  VAL  52          1HG1      VAL  52   1.849   2.385  14.196
  396   2HG1  VAL  52          2HG1      VAL  52   0.461   3.442  13.937
  397   3HG1  VAL  52          3HG1      VAL  52   1.353   3.525  15.470
  398   1HG2  VAL  52          1HG2      VAL  52   1.814   0.578  15.785
  399   2HG2  VAL  52          2HG2      VAL  52   1.215   1.574  17.117
  400   3HG2  VAL  52          3HG2      VAL  52   0.346   0.104  16.642
  401    H    ALA  53           H        ALA  53  -2.998   1.995  14.125
  402    HA   ALA  53           HA       ALA  53  -2.904   4.662  13.048
  403   1HB   ALA  53          1HB       ALA  53  -4.705   3.920  11.634
  404   2HB   ALA  53          2HB       ALA  53  -3.550   2.592  11.787
  405   3HB   ALA  53          3HB       ALA  53  -5.067   2.554  12.720
  406    H    ALA  54           H        ALA  54  -5.004   3.086  15.494
  407    HA   ALA  54           HA       ALA  54  -6.870   5.236  15.721
  408   1HB   ALA  54          1HB       ALA  54  -6.013   3.153  17.781
  409   2HB   ALA  54          2HB       ALA  54  -7.461   4.175  17.867
  410   3HB   ALA  54          3HB       ALA  54  -7.312   2.963  16.580
  411    H    GLU  55           H        GLU  55  -3.645   4.664  17.232
  412    HA   GLU  55           HA       GLU  55  -3.730   6.869  18.994
  413   1HB   GLU  55          1HB       GLU  55  -2.026   4.979  18.844
  414   2HB   GLU  55          2HB       GLU  55  -1.247   5.888  17.541
  415   1HG   GLU  55          1HG       GLU  55  -0.847   7.778  19.053
  416   2HG   GLU  55          2HG       GLU  55  -1.764   6.985  20.335
  417    H    HIS  56           H        HIS  56  -3.612   6.837  15.521
  418    HA   HIS  56           HA       HIS  56  -3.162   9.783  15.446
  419   1HB   HIS  56          1HB       HIS  56  -2.762   7.686  13.283
  420   2HB   HIS  56          2HB       HIS  56  -2.536   9.424  13.076
  421    HD1  HIS  56           HD1      HIS  56  -0.486  10.499  14.762
  422    HD2  HIS  56           HD2      HIS  56  -0.657   6.352  14.068
  423    HE1  HIS  56           HE1      HIS  56   1.786   9.570  15.428
  424    H    GLN  57           H        GLN  57  -5.631   7.902  15.926
  425    HA   GLN  57           HA       GLN  57  -7.806   7.782  15.382
  426   1HB   GLN  57          1HB       GLN  57  -7.429  10.771  14.926
  427   2HB   GLN  57          2HB       GLN  57  -8.961   9.942  15.191
  428   1HG   GLN  57          1HG       GLN  57  -8.448  10.849  17.276
  429   2HG   GLN  57          2HG       GLN  57  -8.072   9.140  17.431
  430   1HE2  GLN  57          2HE2      GLN  57  -6.010   8.623  18.201
  431   2HE2  GLN  57          1HE2      GLN  57  -4.665   9.742  18.274
  432    H    LEU  58           H        LEU  58  -6.485   6.687  13.338
  433    HA   LEU  58           HA       LEU  58  -8.196   7.490  11.017
  434   1HB   LEU  58          1HB       LEU  58  -5.831   8.049  10.630
  435   2HB   LEU  58          2HB       LEU  58  -5.368   6.375  10.975
  436    HG   LEU  58           HG       LEU  58  -6.531   5.579   9.003
  437   1HD1  LEU  58          1HD1      LEU  58  -7.456   8.470   8.707
  438   2HD1  LEU  58          2HD1      LEU  58  -7.458   7.329   7.355
  439   3HD1  LEU  58          3HD1      LEU  58  -8.452   6.990   8.772
  440   1HD2  LEU  58          1HD2      LEU  58  -4.214   6.372   8.809
  441   2HD2  LEU  58          2HD2      LEU  58  -5.105   6.703   7.324
  442   3HD2  LEU  58          3HD2      LEU  58  -4.780   8.019   8.458
  443    H    SER  59           H        SER  59  -9.807   6.017  11.038
  444    HA   SER  59           HA       SER  59  -9.499   3.484  12.305
  445   1HB   SER  59          1HB       SER  59 -11.774   4.483  10.543
  446   2HB   SER  59          2HB       SER  59 -11.844   3.210  11.779
  447    HG   SER  59           HG       SER  59 -12.625   5.221  12.553
  448    H    LEU  60           H        LEU  60  -8.306   1.858  11.337
  449    HA   LEU  60           HA       LEU  60  -8.362   1.377   8.460
  450   1HB   LEU  60          1HB       LEU  60  -7.450  -0.531  10.632
  451   2HB   LEU  60          2HB       LEU  60  -7.042  -0.574   8.926
  452    HG   LEU  60           HG       LEU  60  -6.076   1.377  11.022
  453   1HD1  LEU  60          1HD1      LEU  60  -3.876   0.478  10.445
  454   2HD1  LEU  60          2HD1      LEU  60  -4.975  -0.845  10.866
  455   3HD1  LEU  60          3HD1      LEU  60  -4.582  -0.523   9.164
  456   1HD2  LEU  60          1HD2      LEU  60  -6.427   2.765   9.066
  457   2HD2  LEU  60          2HD2      LEU  60  -4.702   2.448   9.222
  458   3HD2  LEU  60          3HD2      LEU  60  -5.654   1.555   8.012
  459    H    GLU  61           H        GLU  61 -11.025   1.398   9.847
  460    HA   GLU  61           HA       GLU  61 -11.840  -1.273  10.412
  461   1HB   GLU  61          1HB       GLU  61 -14.091  -0.338  10.578
  462   2HB   GLU  61          2HB       GLU  61 -12.911   0.647  11.439
  463   1HG   GLU  61          1HG       GLU  61 -12.898   2.297   9.607
  464   2HG   GLU  61          2HG       GLU  61 -14.011   1.301   8.668
  465    H    GLY  62           H        GLY  62 -13.238  -2.689   9.292
  466   1HA   GLY  62          1HA       GLY  62 -14.470  -3.558   7.593
  467   2HA   GLY  62          2HA       GLY  62 -14.425  -1.983   6.784
  468    H    HIS  63           H        HIS  63 -11.215  -2.726   7.201
  469    HA   HIS  63           HA       HIS  63 -10.705  -3.533   4.500
  470   1HB   HIS  63          1HB       HIS  63  -8.954  -2.447   5.746
  471   2HB   HIS  63          2HB       HIS  63  -9.088  -3.616   7.065
  472    HD1  HIS  63           HD1      HIS  63  -7.817  -3.531   3.367
  473    HD2  HIS  63           HD2      HIS  63  -7.733  -5.891   6.864
  474    HE1  HIS  63           HE1      HIS  63  -6.297  -5.465   2.897
  475    H    CYS  64           H        CYS  64 -10.617  -5.526   3.616
  476    HA   CYS  64           HA       CYS  64 -10.587  -7.933   5.360
  477   1HB   CYS  64          1HB       CYS  64 -12.348  -7.460   2.915
  478   2HB   CYS  64          2HB       CYS  64 -12.128  -9.021   3.729
  479    HG   CYS  64           HG       CYS  64 -13.291  -6.178   4.983
  480    H    ALA  65           H        ALA  65  -8.662  -8.854   4.898
  481    HA   ALA  65           HA       ALA  65  -7.090  -8.141   2.624
  482   1HB   ALA  65          1HB       ALA  65  -5.907  -8.774   4.537
  483   2HB   ALA  65          2HB       ALA  65  -6.890 -10.224   4.813
  484   3HB   ALA  65          3HB       ALA  65  -5.720 -10.182   3.476
  485    H    ARG  66           H        ARG  66  -6.314  -9.526   0.926
  486    HA   ARG  66           HA       ARG  66  -7.900 -11.790   0.018
  487   1HB   ARG  66          1HB       ARG  66  -8.891 -10.599  -1.945
  488   2HB   ARG  66          2HB       ARG  66  -9.588 -10.101  -0.406
  489   1HG   ARG  66          1HG       ARG  66  -8.144  -8.056  -0.421
  490   2HG   ARG  66          2HG       ARG  66  -7.504  -8.540  -2.004
  491   1HD   ARG  66          1HD       ARG  66  -9.718  -8.370  -3.002
  492   2HD   ARG  66          2HD       ARG  66 -10.443  -8.026  -1.412
  493    HE   ARG  66           HE       ARG  66  -8.448  -6.126  -1.695
  494   1HH1  ARG  66          2HH2      ARG  66 -11.433  -6.890  -3.512
  495   2HH1  ARG  66          1HH2      ARG  66 -11.647  -5.253  -4.030
  496   1HH2  ARG  66          1HH1      ARG  66  -8.750  -4.080  -2.363
  497   2HH2  ARG  66          2HH1      ARG  66 -10.156  -3.584  -3.291
  498    H    GLN  67           H        GLN  67  -6.923 -12.674  -1.939
  499    HA   GLN  67           HA       GLN  67  -4.138 -11.794  -2.183
  500   1HB   GLN  67          1HB       GLN  67  -4.880 -14.268  -1.945
  501   2HB   GLN  67          2HB       GLN  67  -5.368 -14.142  -3.651
  502   1HG   GLN  67          1HG       GLN  67  -3.023 -13.389  -4.202
  503   2HG   GLN  67          2HG       GLN  67  -2.615 -13.501  -2.497
  504   1HE2  GLN  67          2HE2      GLN  67  -0.877 -14.854  -3.253
  505   2HE2  GLN  67          1HE2      GLN  67  -1.159 -16.561  -3.584
  506    H    ILE  68           H        ILE  68  -3.226 -10.915  -3.882
  507    HA   ILE  68           HA       ILE  68  -4.828  -9.618  -5.862
  508    HB   ILE  68           HB       ILE  68  -2.480  -9.004  -4.998
  509   1HG1  ILE  68          1HG1      ILE  68  -3.363  -8.880  -7.907
  510   2HG1  ILE  68          2HG1      ILE  68  -3.601  -7.694  -6.626
  511   1HG2  ILE  68          1HG2      ILE  68  -0.541  -9.854  -6.062
  512   2HG2  ILE  68          2HG2      ILE  68  -1.457 -11.262  -5.513
  513   3HG2  ILE  68          3HG2      ILE  68  -1.490 -10.794  -7.228
  514   1HD1  ILE  68          1HD1      ILE  68  -1.060  -8.368  -8.128
  515   2HD1  ILE  68          2HD1      ILE  68  -1.915  -6.817  -8.042
  516   3HD1  ILE  68          3HD1      ILE  68  -1.045  -7.436  -6.621
  517    H    SER  69           H        SER  69  -5.069 -10.162  -8.044
  518    HA   SER  69           HA       SER  69  -4.091 -12.669  -9.148
  519   1HB   SER  69          1HB       SER  69  -6.992 -12.237  -8.321
  520   2HB   SER  69          2HB       SER  69  -6.592 -13.294  -9.705
  521    HG   SER  69           HG       SER  69  -5.205 -13.551  -7.279
  522    H    ARG  70           H        ARG  70  -4.731 -12.690 -11.585
  523    HA   ARG  70           HA       ARG  70  -3.870 -10.195 -12.543
  524   1HB   ARG  70          1HB       ARG  70  -3.495 -12.376 -13.649
  525   2HB   ARG  70          2HB       ARG  70  -5.185 -12.404 -14.174
  526   1HG   ARG  70          1HG       ARG  70  -4.839 -10.416 -15.556
  527   2HG   ARG  70          2HG       ARG  70  -3.207 -10.183 -14.892
  528   1HD   ARG  70          1HD       ARG  70  -2.454 -12.283 -15.892
  529   2HD   ARG  70          2HD       ARG  70  -4.093 -12.624 -16.483
  530    HE   ARG  70           HE       ARG  70  -3.421 -10.116 -17.537
  531   1HH1  ARG  70          1HH2      ARG  70  -2.107 -13.417 -17.833
  532   2HH1  ARG  70          2HH2      ARG  70  -1.604 -13.195 -19.466
  533   1HH2  ARG  70          1HH1      ARG  70  -2.844  -9.847 -19.601
  534   2HH2  ARG  70          2HH1      ARG  70  -2.018 -11.077 -20.536
  535    H    ARG  71           H        ARG  71  -7.243 -11.417 -12.365
  536    HA   ARG  71           HA       ARG  71  -8.465  -9.286 -13.762
  537   1HB   ARG  71          1HB       ARG  71  -9.693 -11.268 -13.100
  538   2HB   ARG  71          2HB       ARG  71  -9.411 -10.948 -11.387
  539   1HG   ARG  71          1HG       ARG  71 -11.705 -10.416 -12.004
  540   2HG   ARG  71          2HG       ARG  71 -10.851  -8.971 -11.478
  541   1HD   ARG  71          1HD       ARG  71 -12.206  -8.422 -13.391
  542   2HD   ARG  71          2HD       ARG  71 -10.501  -8.330 -13.862
  543    HE   ARG  71           HE       ARG  71 -11.532 -10.935 -14.435
  544   1HH1  ARG  71          1HH1      ARG  71 -11.870  -7.601 -15.613
  545   2HH1  ARG  71          2HH1      ARG  71 -12.228  -8.059 -17.234
  546   1HH2  ARG  71          1HH2      ARG  71 -12.018 -11.547 -16.599
  547   2HH2  ARG  71          2HH2      ARG  71 -12.321 -10.355 -17.801
  548    H    LEU  72           H        LEU  72  -7.483  -9.477 -10.291
  549    HA   LEU  72           HA       LEU  72  -8.375  -6.822  -9.655
  550   1HB   LEU  72          1HB       LEU  72  -6.504  -8.807  -8.350
  551   2HB   LEU  72          2HB       LEU  72  -6.315  -7.104  -7.953
  552    HG   LEU  72           HG       LEU  72  -8.722  -6.961  -7.406
  553   1HD1  LEU  72          1HD1      LEU  72  -9.966  -9.062  -6.898
  554   2HD1  LEU  72          2HD1      LEU  72  -9.628  -8.891  -8.621
  555   3HD1  LEU  72          3HD1      LEU  72  -8.652 -10.005  -7.634
  556   1HD2  LEU  72          1HD2      LEU  72  -6.982  -7.249  -5.660
  557   2HD2  LEU  72          2HD2      LEU  72  -8.503  -8.020  -5.197
  558   3HD2  LEU  72          3HD2      LEU  72  -7.155  -9.016  -5.782
  559    H    CYS  73           H        CYS  73  -5.202  -8.116 -10.826
  560    HA   CYS  73           HA       CYS  73  -3.842  -5.725 -10.601
  561   1HB   CYS  73          1HB       CYS  73  -3.495  -7.762 -12.864
  562   2HB   CYS  73          2HB       CYS  73  -2.306  -6.556 -12.370
  563    HG   CYS  73           HG       CYS  73  -3.587  -8.992 -10.496
  564    H    ARG  74           H        ARG  74  -5.987  -6.682 -13.351
  565    HA   ARG  74           HA       ARG  74  -5.360  -4.151 -14.706
  566   1HB   ARG  74          1HB       ARG  74  -6.736  -4.903 -16.491
  567   2HB   ARG  74          2HB       ARG  74  -5.645  -6.198 -16.002
  568   1HG   ARG  74          1HG       ARG  74  -7.467  -7.400 -14.904
  569   2HG   ARG  74          2HG       ARG  74  -8.573  -6.041 -15.148
  570   1HD   ARG  74          1HD       ARG  74  -9.071  -7.694 -16.810
  571   2HD   ARG  74          2HD       ARG  74  -8.354  -6.303 -17.607
  572    HE   ARG  74           HE       ARG  74  -6.263  -7.480 -17.858
  573   1HH1  ARG  74          1HH1      ARG  74  -9.032  -9.569 -16.996
  574   2HH1  ARG  74          2HH1      ARG  74  -8.299 -11.006 -17.606
  575   1HH2  ARG  74          1HH2      ARG  74  -5.317  -9.353 -18.626
  576   2HH2  ARG  74          2HH2      ARG  74  -6.158 -10.881 -18.609
  577    H    ASN  75           H        ASN  75  -7.691  -5.116 -12.320
  578    HA   ASN  75           HA       ASN  75  -9.865  -3.497 -13.169
  579   1HB   ASN  75          1HB       ASN  75 -10.113  -5.352 -11.580
  580   2HB   ASN  75          2HB       ASN  75  -9.129  -4.498 -10.392
  581   1HD2  ASN  75          2HD2      ASN  75 -10.197  -3.058  -8.984
  582   2HD2  ASN  75          1HD2      ASN  75 -11.877  -2.611  -9.167
  583    H    TYR  76           H        TYR  76  -6.885  -2.615 -11.529
  584    HA   TYR  76           HA       TYR  76  -8.013   0.085 -10.890
  585   1HB   TYR  76          1HB       TYR  76  -5.724  -1.308  -9.482
  586   2HB   TYR  76          2HB       TYR  76  -6.450   0.226  -9.053
  587    HD1  TYR  76           HD1      TYR  76  -7.030  -3.421  -9.228
  588    HD2  TYR  76           HD2      TYR  76  -8.248   0.267  -7.451
  589    HE1  TYR  76           HE1      TYR  76  -8.519  -4.682  -7.716
  590    HE2  TYR  76           HE2      TYR  76  -9.791  -0.938  -5.954
  591    HH   TYR  76           HH       TYR  76 -10.569  -3.024  -5.252
  592    H    ASP  77           H        ASP  77  -6.351   1.867 -11.078
  593    HA   ASP  77           HA       ASP  77  -5.201   1.487 -13.752
  594   1HB   ASP  77          1HB       ASP  77  -6.603   3.470 -13.098
  595   2HB   ASP  77          2HB       ASP  77  -5.286   4.000 -12.046
  596    H    LEU  78           H        LEU  78  -4.054   1.594 -10.465
  597    HA   LEU  78           HA       LEU  78  -1.248   1.352 -11.339
  598   1HB   LEU  78          1HB       LEU  78  -1.684   3.738 -11.061
  599   2HB   LEU  78          2HB       LEU  78  -2.332   3.499  -9.459
  600    HG   LEU  78           HG       LEU  78  -0.018   4.500  -9.689
  601   1HD1  LEU  78          1HD1      LEU  78  -0.813   3.668  -7.545
  602   2HD1  LEU  78          2HD1      LEU  78  -0.204   2.044  -7.926
  603   3HD1  LEU  78          3HD1      LEU  78   0.922   3.393  -7.738
  604   1HD2  LEU  78          1HD2      LEU  78   1.906   3.069 -10.007
  605   2HD2  LEU  78          2HD2      LEU  78   0.888   1.649 -10.243
  606   3HD2  LEU  78          3HD2      LEU  78   0.861   2.971 -11.433
  607    H    ILE  79           H        ILE  79  -0.362  -0.282 -10.189
  608    HA   ILE  79           HA       ILE  79  -1.658  -1.143  -7.642
  609    HB   ILE  79           HB       ILE  79  -0.312  -2.664  -9.861
  610   1HG1  ILE  79          1HG1      ILE  79  -1.951  -4.389  -9.257
  611   2HG1  ILE  79          2HG1      ILE  79  -2.438  -3.476  -7.833
  612   1HG2  ILE  79          1HG2      ILE  79  -0.109  -3.492  -6.939
  613   2HG2  ILE  79          2HG2      ILE  79   0.190  -4.568  -8.325
  614   3HG2  ILE  79          3HG2      ILE  79   1.230  -3.176  -8.048
  615   1HD1  ILE  79          1HD1      ILE  79  -4.095  -3.336  -9.630
  616   2HD1  ILE  79          2HD1      ILE  79  -3.436  -1.738  -9.262
  617   3HD1  ILE  79          3HD1      ILE  79  -2.894  -2.614 -10.712
  618    H    LEU  80           H        LEU  80  -0.420  -1.023  -5.827
  619    HA   LEU  80           HA       LEU  80   2.197   0.405  -6.070
  620   1HB   LEU  80          1HB       LEU  80   0.255   1.874  -5.679
  621   2HB   LEU  80          2HB       LEU  80  -0.229   0.916  -4.292
  622    HG   LEU  80           HG       LEU  80   1.636   1.669  -3.003
  623   1HD1  LEU  80          1HD1      LEU  80   3.473   1.768  -4.567
  624   2HD1  LEU  80          2HD1      LEU  80   2.646   2.987  -5.558
  625   3HD1  LEU  80          3HD1      LEU  80   3.246   3.393  -3.935
  626   1HD2  LEU  80          1HD2      LEU  80   1.176   4.116  -2.980
  627   2HD2  LEU  80          2HD2      LEU  80   0.436   3.997  -4.583
  628   3HD2  LEU  80          3HD2      LEU  80  -0.320   3.187  -3.196
  629    H    THR  81           H        THR  81   3.805  -0.304  -4.588
  630    HA   THR  81           HA       THR  81   2.986  -2.119  -2.398
  631    HB   THR  81           HB       THR  81   3.288  -3.455  -4.460
  632    HG1  THR  81           1HG      THR  81   3.623  -4.408  -2.544
  633   1HG2  THR  81          1HG2      THR  81   5.062  -2.177  -5.613
  634   2HG2  THR  81          2HG2      THR  81   6.222  -2.623  -4.342
  635   3HG2  THR  81          3HG2      THR  81   5.508  -3.869  -5.385
  636    H    MET  82           H        MET  82   5.554  -2.907  -1.555
  637    HA   MET  82           HA       MET  82   6.668  -0.265  -0.693
  638   1HB   MET  82          1HB       MET  82   5.821  -2.746   0.841
  639   2HB   MET  82          2HB       MET  82   7.006  -1.642   1.500
  640   1HG   MET  82          1HG       MET  82   4.964  -0.952   2.416
  641   2HG   MET  82          2HG       MET  82   5.360   0.245   1.189
  642   1HE   MET  82          1HE       MET  82   1.502   0.309   1.036
  643   2HE   MET  82          2HE       MET  82   2.404  -0.046   2.525
  644   3HE   MET  82          3HE       MET  82   3.003   1.184   1.386
  645    H    GLU  83           H        GLU  83   7.559  -3.303  -2.114
  646    HA   GLU  83           HA       GLU  83  10.411  -2.686  -1.525
  647   1HB   GLU  83          1HB       GLU  83   9.108  -5.427  -1.230
  648   2HB   GLU  83          2HB       GLU  83  10.834  -5.094  -1.208
  649   1HG   GLU  83          1HG       GLU  83  10.488  -3.619   0.806
  650   2HG   GLU  83          2HG       GLU  83   8.794  -4.128   0.830
  651    H    LYS  84           H        LYS  84  11.874  -3.417  -3.135
  652    HA   LYS  84           HA       LYS  84  10.769  -3.327  -5.804
  653   1HB   LYS  84          1HB       LYS  84  13.569  -4.021  -4.809
  654   2HB   LYS  84          2HB       LYS  84  13.127  -3.732  -6.497
  655   1HG   LYS  84          1HG       LYS  84  12.446  -1.419  -5.960
  656   2HG   LYS  84          2HG       LYS  84  12.835  -1.681  -4.251
  657   1HD   LYS  84          1HD       LYS  84  15.205  -2.140  -4.867
  658   2HD   LYS  84          2HD       LYS  84  14.814  -1.786  -6.566
  659   1HE   LYS  84          1HE       LYS  84  14.085   0.499  -5.919
  660   2HE   LYS  84          2HE       LYS  84  14.430   0.140  -4.225
  661   1HZ   LYS  84          1HZ       LYS  84  16.772  -0.133  -4.833
  662   2HZ   LYS  84          2HZ       LYS  84  16.450   0.240  -6.392
  663   3HZ   LYS  84          3HZ       LYS  84  16.239   1.356  -5.219
  664    H    ARG  85           H        ARG  85  11.918  -6.002  -3.675
  665    HA   ARG  85           HA       ARG  85  11.692  -8.061  -5.614
  666   1HB   ARG  85          1HB       ARG  85  11.358  -9.605  -3.742
  667   2HB   ARG  85          2HB       ARG  85  12.725  -8.524  -3.485
  668   1HG   ARG  85          1HG       ARG  85  11.461  -7.193  -1.884
  669   2HG   ARG  85          2HG       ARG  85   9.980  -8.109  -2.218
  670   1HD   ARG  85          1HD       ARG  85  11.059 -10.163  -1.369
  671   2HD   ARG  85          2HD       ARG  85  12.520  -9.236  -0.983
  672    HE   ARG  85           HE       ARG  85  11.032  -7.803   0.486
  673   1HH1  ARG  85          1HH2      ARG  85  10.532 -11.308   0.140
  674   2HH1  ARG  85          2HH2      ARG  85   9.593 -11.445   1.578
  675   1HH2  ARG  85          1HH1      ARG  85   9.632  -7.934   2.234
  676   2HH2  ARG  85          2HH1      ARG  85   9.153  -9.484   2.867
  677    H    HIS  86           H        HIS  86   9.100  -6.308  -3.863
  678    HA   HIS  86           HA       HIS  86   7.085  -8.276  -4.633
  679   1HB   HIS  86          1HB       HIS  86   6.728  -5.399  -3.721
  680   2HB   HIS  86          2HB       HIS  86   5.466  -6.606  -3.887
  681    HD1  HIS  86           HD1      HIS  86   7.430  -8.898  -2.274
  682    HD2  HIS  86           HD2      HIS  86   6.023  -5.105  -1.130
  683    HE1  HIS  86           HE1      HIS  86   7.470  -8.849   0.268
  684    H    ILE  87           H        ILE  87   8.340  -5.131  -5.934
  685    HA   ILE  87           HA       ILE  87   6.509  -4.895  -8.075
  686    HB   ILE  87           HB       ILE  87   9.469  -4.170  -8.130
  687   1HG1  ILE  87          1HG1      ILE  87   7.111  -2.454  -7.231
  688   2HG1  ILE  87          2HG1      ILE  87   8.351  -3.121  -6.183
  689   1HG2  ILE  87          1HG2      ILE  87   8.327  -4.178 -10.365
  690   2HG2  ILE  87          2HG2      ILE  87   7.175  -2.982  -9.737
  691   3HG2  ILE  87          3HG2      ILE  87   8.898  -2.593  -9.884
  692   1HD1  ILE  87          1HD1      ILE  87   8.709  -0.965  -8.282
  693   2HD1  ILE  87          2HD1      ILE  87   8.938  -0.868  -6.533
  694   3HD1  ILE  87          3HD1      ILE  87  10.078  -1.808  -7.508
  695    H    GLU  88           H        GLU  88   9.660  -6.689  -7.879
  696    HA   GLU  88           HA       GLU  88   9.616  -7.634 -10.542
  697   1HB   GLU  88          1HB       GLU  88  10.741  -8.960  -8.044
  698   2HB   GLU  88          2HB       GLU  88  11.014  -9.494  -9.711
  699   1HG   GLU  88          1HG       GLU  88  12.197  -7.439 -10.235
  700   2HG   GLU  88          2HG       GLU  88  11.936  -6.843  -8.592
  701    H    ARG  89           H        ARG  89   8.385  -9.278  -7.542
  702    HA   ARG  89           HA       ARG  89   7.647 -11.639  -8.968
  703   1HB   ARG  89          1HB       ARG  89   6.643 -10.633  -6.304
  704   2HB   ARG  89          2HB       ARG  89   6.371 -12.254  -6.953
  705   1HG   ARG  89          1HG       ARG  89   9.074 -11.052  -6.326
  706   2HG   ARG  89          2HG       ARG  89   8.176 -12.130  -5.276
  707   1HD   ARG  89          1HD       ARG  89   9.761 -13.523  -6.192
  708   2HD   ARG  89          2HD       ARG  89   8.358 -13.849  -7.206
  709    HE   ARG  89           HE       ARG  89   9.588 -13.193  -9.008
  710   1HH1  ARG  89          1HH2      ARG  89  11.121 -11.531  -6.197
  711   2HH1  ARG  89          2HH2      ARG  89  12.359 -10.836  -7.228
  712   1HH2  ARG  89          1HH1      ARG  89  11.366 -12.321 -10.189
  713   2HH2  ARG  89          2HH1      ARG  89  12.513 -11.290  -9.338
  714    H    LEU  90           H        LEU  90   5.852  -8.629  -8.201
  715    HA   LEU  90           HA       LEU  90   3.311  -9.664  -9.117
  716   1HB   LEU  90          1HB       LEU  90   4.342  -6.830  -8.713
  717   2HB   LEU  90          2HB       LEU  90   2.682  -7.212  -9.167
  718    HG   LEU  90           HG       LEU  90   4.006  -8.214  -6.606
  719   1HD1  LEU  90          1HD1      LEU  90   2.682  -6.531  -5.438
  720   2HD1  LEU  90          2HD1      LEU  90   3.756  -5.758  -6.600
  721   3HD1  LEU  90          3HD1      LEU  90   2.026  -5.930  -6.983
  722   1HD2  LEU  90          1HD2      LEU  90   2.210  -9.702  -7.303
  723   2HD2  LEU  90          2HD2      LEU  90   1.719  -8.765  -5.906
  724   3HD2  LEU  90          3HD2      LEU  90   1.124  -8.315  -7.523
  725    H    CYS  91           H        CYS  91   6.004  -7.906 -10.734
  726    HA   CYS  91           HA       CYS  91   4.641  -7.601 -13.244
  727   1HB   CYS  91          1HB       CYS  91   7.610  -7.911 -12.586
  728   2HB   CYS  91          2HB       CYS  91   6.968  -7.515 -14.184
  729    HG   CYS  91           HG       CYS  91   6.636  -5.885 -11.330
  730    H    GLU  92           H        GLU  92   6.525 -10.323 -11.819
  731    HA   GLU  92           HA       GLU  92   6.377 -11.972 -14.145
  732   1HB   GLU  92          1HB       GLU  92   6.827 -12.548 -11.202
  733   2HB   GLU  92          2HB       GLU  92   6.847 -13.819 -12.431
  734   1HG   GLU  92          1HG       GLU  92   8.692 -12.818 -13.594
  735   2HG   GLU  92          2HG       GLU  92   8.615 -11.351 -12.624
  736    H    MET  93           H        MET  93   4.197 -11.655 -11.269
  737    HA   MET  93           HA       MET  93   2.437 -13.783 -12.010
  738   1HB   MET  93          1HB       MET  93   2.056 -11.268 -10.334
  739   2HB   MET  93          2HB       MET  93   0.745 -12.402 -10.651
  740   1HG   MET  93          1HG       MET  93   2.067 -14.245  -9.671
  741   2HG   MET  93          2HG       MET  93   3.369 -13.115  -9.308
  742   1HE   MET  93          1HE       MET  93  -0.314 -14.211  -8.580
  743   2HE   MET  93          2HE       MET  93  -0.794 -13.173  -7.222
  744   3HE   MET  93          3HE       MET  93  -0.642 -12.481  -8.846
  745    H    ALA  94           H        ALA  94   2.489 -10.310 -12.899
  746    HA   ALA  94           HA       ALA  94   0.343 -10.834 -14.911
  747   1HB   ALA  94          1HB       ALA  94   0.453  -8.551 -12.904
  748   2HB   ALA  94          2HB       ALA  94  -0.688  -8.689 -14.261
  749   3HB   ALA  94          3HB       ALA  94  -0.728  -9.879 -12.944
  750    HA   PRO  95           HA       PRO  95   4.023  -8.788 -16.791
  751   1HB   PRO  95          1HB       PRO  95   3.718  -9.814 -19.341
  752   2HB   PRO  95          2HB       PRO  95   4.602 -10.621 -18.010
  753   1HG   PRO  95          1HG       PRO  95   1.748 -11.085 -18.904
  754   2HG   PRO  95          2HG       PRO  95   3.002 -12.305 -18.516
  755   1HD   PRO  95          1HD       PRO  95   1.091 -11.600 -16.726
  756   2HD   PRO  95          2HD       PRO  95   2.763 -11.938 -16.188
  757    H    GLU  96           H        GLU  96   0.605  -8.952 -17.788
  758    HA   GLU  96           HA       GLU  96   0.373  -6.733 -19.442
  759   1HB   GLU  96          1HB       GLU  96  -1.276  -8.444 -18.763
  760   2HB   GLU  96          2HB       GLU  96  -1.405  -7.716 -17.163
  761   1HG   GLU  96          1HG       GLU  96  -2.386  -5.692 -18.134
  762   2HG   GLU  96          2HG       GLU  96  -2.163  -6.340 -19.770
  763    H    MET  97           H        MET  97   1.064  -6.790 -15.947
  764    HA   MET  97           HA       MET  97   0.776  -3.861 -15.762
  765   1HB   MET  97          1HB       MET  97  -0.419  -5.670 -14.233
  766   2HB   MET  97          2HB       MET  97   1.158  -5.772 -13.444
  767   1HG   MET  97          1HG       MET  97  -0.256  -4.218 -12.266
  768   2HG   MET  97          2HG       MET  97   1.050  -3.317 -13.037
  769   1HE   MET  97          1HE       MET  97  -0.052  -0.974 -12.859
  770   2HE   MET  97          2HE       MET  97  -1.727  -0.608 -13.323
  771   3HE   MET  97          3HE       MET  97  -1.396  -1.666 -11.934
  772    H    ARG  98           H        ARG  98   3.187  -5.860 -16.706
  773    HA   ARG  98           HA       ARG  98   5.286  -5.448 -14.875
  774   1HB   ARG  98          1HB       ARG  98   5.398  -7.105 -16.627
  775   2HB   ARG  98          2HB       ARG  98   5.346  -5.861 -17.887
  776   1HG   ARG  98          1HG       ARG  98   7.564  -5.103 -17.362
  777   2HG   ARG  98          2HG       ARG  98   7.593  -6.002 -15.839
  778   1HD   ARG  98          1HD       ARG  98   8.942  -7.130 -17.565
  779   2HD   ARG  98          2HD       ARG  98   7.591  -8.126 -17.010
  780    HE   ARG  98           HE       ARG  98   7.267  -6.486 -19.468
  781   1HH1  ARG  98          1HH2      ARG  98   7.748  -9.737 -18.119
  782   2HH1  ARG  98          2HH2      ARG  98   7.215 -10.556 -19.539
  783   1HH2  ARG  98          1HH1      ARG  98   6.536  -7.578 -21.348
  784   2HH2  ARG  98          2HH1      ARG  98   6.520  -9.297 -21.414
  785    H    GLY  99           H        GLY  99   6.541  -3.741 -14.378
  786   1HA   GLY  99          1HA       GLY  99   7.592  -1.710 -14.514
  787   2HA   GLY  99          2HA       GLY  99   7.028  -1.526 -16.180
  788    H    LYS 100           H        LYS 100   4.125  -2.072 -14.891
  789    HA   LYS 100           HA       LYS 100   3.565   0.784 -14.371
  790   1HB   LYS 100          1HB       LYS 100   1.662  -1.586 -14.447
  791   2HB   LYS 100          2HB       LYS 100   1.238   0.127 -14.434
  792   1HG   LYS 100          1HG       LYS 100   2.328   0.389 -16.673
  793   2HG   LYS 100          2HG       LYS 100   2.645  -1.361 -16.692
  794   1HD   LYS 100          1HD       LYS 100   0.175  -1.780 -16.465
  795   2HD   LYS 100          2HD       LYS 100  -0.096  -0.039 -16.491
  796   1HE   LYS 100          1HE       LYS 100  -0.580  -0.863 -18.663
  797   2HE   LYS 100          2HE       LYS 100   0.918   0.065 -18.774
  798   1HZ   LYS 100          1HZ       LYS 100   1.029  -2.026 -19.995
  799   2HZ   LYS 100          2HZ       LYS 100   2.133  -2.042 -18.798
  800   3HZ   LYS 100          3HZ       LYS 100   0.738  -2.906 -18.650
  801    H    VAL 101           H        VAL 101   4.261  -2.091 -12.545
  802    HA   VAL 101           HA       VAL 101   2.866  -1.230 -10.120
  803    HB   VAL 101           HB       VAL 101   5.054  -3.310 -10.601
  804   1HG1  VAL 101          1HG1      VAL 101   3.367  -2.725  -8.126
  805   2HG1  VAL 101          2HG1      VAL 101   4.321  -4.206  -8.362
  806   3HG1  VAL 101          3HG1      VAL 101   5.123  -2.636  -8.271
  807   1HG2  VAL 101          1HG2      VAL 101   2.037  -3.625 -10.307
  808   2HG2  VAL 101          2HG2      VAL 101   3.012  -3.973 -11.748
  809   3HG2  VAL 101          3HG2      VAL 101   3.207  -4.962 -10.308
  810    H    MET 102           H        MET 102   3.848  -0.052  -8.421
  811    HA   MET 102           HA       MET 102   6.676   0.757  -8.643
  812   1HB   MET 102          1HB       MET 102   4.378   2.775  -8.754
  813   2HB   MET 102          2HB       MET 102   6.039   3.195  -8.311
  814   1HG   MET 102          1HG       MET 102   6.810   2.202 -10.485
  815   2HG   MET 102          2HG       MET 102   5.121   2.073 -10.974
  816   1HE   MET 102          1HE       MET 102   3.655   4.653 -10.178
  817   2HE   MET 102          2HE       MET 102   4.006   5.724 -11.548
  818   3HE   MET 102          3HE       MET 102   3.660   4.003 -11.833
  819    H    LEU 103           H        LEU 103   7.199   2.153  -6.575
  820    HA   LEU 103           HA       LEU 103   5.723   0.880  -4.359
  821   1HB   LEU 103          1HB       LEU 103   7.663   0.655  -3.106
  822   2HB   LEU 103          2HB       LEU 103   7.930  -0.075  -4.678
  823    HG   LEU 103           HG       LEU 103   9.084   2.515  -3.564
  824   1HD1  LEU 103          1HD1      LEU 103  10.038   0.420  -2.673
  825   2HD1  LEU 103          2HD1      LEU 103  10.378  -0.143  -4.324
  826   3HD1  LEU 103          3HD1      LEU 103  11.214   1.281  -3.666
  827   1HD2  LEU 103          1HD2      LEU 103   9.619   1.308  -6.314
  828   2HD2  LEU 103          2HD2      LEU 103   8.816   2.858  -5.982
  829   3HD2  LEU 103          3HD2      LEU 103  10.507   2.648  -5.571
  830    H    PHE 104           H        PHE 104   5.655   1.809  -2.297
  831    HA   PHE 104           HA       PHE 104   4.787   4.425  -2.084
  832   1HB   PHE 104          1HB       PHE 104   5.586   2.262  -0.265
  833   2HB   PHE 104          2HB       PHE 104   6.027   3.834   0.373
  834    HD1  PHE 104           HD1      PHE 104   4.504   4.582   1.957
  835    HD2  PHE 104           HD2      PHE 104   3.061   2.491  -1.514
  836    HE1  PHE 104           HE1      PHE 104   2.181   5.071   2.634
  837    HE2  PHE 104           HE2      PHE 104   0.721   2.976  -0.823
  838    HZ   PHE 104           HZ       PHE 104   0.288   4.362   1.202
  839    H    GLY 105           H        GLY 105   8.145   3.244  -1.566
  840   1HA   GLY 105          1HA       GLY 105   9.061   5.904  -0.817
  841   2HA   GLY 105          2HA       GLY 105  10.014   4.428  -0.927
  842    H    HIS 106           H        HIS 106   8.295   4.856  -3.865
  843    HA   HIS 106           HA       HIS 106  10.350   5.286  -5.598
  844   1HB   HIS 106          1HB       HIS 106   8.034   4.904  -6.294
  845   2HB   HIS 106          2HB       HIS 106   7.575   6.509  -5.744
  846    HD1  HIS 106           HD1      HIS 106  10.133   5.055  -8.378
  847    HD2  HIS 106           HD2      HIS 106   7.503   8.281  -7.620
  848    HE1  HIS 106           HE1      HIS 106  10.180   6.530 -10.435
  849    H    TRP 107           H        TRP 107   8.585   7.935  -3.935
  850    HA   TRP 107           HA       TRP 107  10.042  10.017  -5.239
  851   1HB   TRP 107          1HB       TRP 107   8.442  10.247  -2.687
  852   2HB   TRP 107          2HB       TRP 107   8.660  11.469  -3.939
  853    HD1  TRP 107           HD1      TRP 107   6.480   8.636  -2.845
  854    HE1  TRP 107           HE1      TRP 107   4.593   8.195  -4.473
  855    HE3  TRP 107           HE3      TRP 107   7.996  11.669  -6.707
  856    HZ2  TRP 107           HZ2      TRP 107   3.769   9.057  -7.106
  857    HZ3  TRP 107           HZ3      TRP 107   6.614  11.837  -8.762
  858    HH2  TRP 107           HH2      TRP 107   4.482  10.557  -8.955
  859    H    ASP 108           H        ASP 108  11.298   7.976  -3.000
  860    HA   ASP 108           HA       ASP 108  13.292   9.986  -2.116
  861   1HB   ASP 108          1HB       ASP 108  11.816   9.848  -0.190
  862   2HB   ASP 108          2HB       ASP 108  11.866   8.086  -0.232
  863    H    ASN 109           H        ASN 109  14.005   9.016  -4.098
  864    HA   ASN 109           HA       ASN 109  15.446   7.662  -5.214
  865   1HB   ASN 109          1HB       ASN 109  16.849   8.725  -3.471
  866   2HB   ASN 109          2HB       ASN 109  16.588   7.325  -2.428
  867   1HD2  ASN 109          2HD2      ASN 109  18.728   6.724  -2.302
  868   2HD2  ASN 109          1HD2      ASN 109  19.658   6.118  -3.656
  869    H    GLU 110           H        GLU 110  13.047   6.384  -4.661
  870    HA   GLU 110           HA       GLU 110  12.000   4.395  -4.453
  871   1HB   GLU 110          1HB       GLU 110  14.416   3.331  -5.955
  872   2HB   GLU 110          2HB       GLU 110  12.768   2.688  -5.952
  873   1HG   GLU 110          1HG       GLU 110  12.167   5.173  -6.726
  874   2HG   GLU 110          2HG       GLU 110  13.847   5.197  -7.234
  875    H    CYS 111           H        CYS 111  13.166   5.023  -2.084
  876    HA   CYS 111           HA       CYS 111  14.587   2.837  -0.958
  877   1HB   CYS 111          1HB       CYS 111  13.943   3.818   1.200
  878   2HB   CYS 111          2HB       CYS 111  14.570   5.022   0.051
  879    HG   CYS 111           HG       CYS 111  12.441   6.092  -0.625
  880    H    GLU 112           H        GLU 112  13.929   1.113   0.269
  881    HA   GLU 112           HA       GLU 112  11.188   0.098  -0.215
  882   1HB   GLU 112          1HB       GLU 112  13.672  -1.240   0.943
  883   2HB   GLU 112          2HB       GLU 112  12.127  -2.031   0.604
  884   1HG   GLU 112          1HG       GLU 112  12.367  -1.400  -1.812
  885   2HG   GLU 112          2HG       GLU 112  13.971  -0.750  -1.468
  886    H    ILE 113           H        ILE 113  10.121  -1.029   1.693
  887    HA   ILE 113           HA       ILE 113  10.531   0.570   4.190
  888    HB   ILE 113           HB       ILE 113   7.962  -0.196   2.782
  889   1HG1  ILE 113          1HG1      ILE 113   9.419   2.433   3.213
  890   2HG1  ILE 113          2HG1      ILE 113   9.018   1.657   1.689
  891   1HG2  ILE 113          1HG2      ILE 113   7.667  -0.375   5.248
  892   2HG2  ILE 113          2HG2      ILE 113   8.188   1.318   5.407
  893   3HG2  ILE 113          3HG2      ILE 113   6.705   0.897   4.532
  894   1HD1  ILE 113          1HD1      ILE 113   6.608   2.083   2.106
  895   2HD1  ILE 113          2HD1      ILE 113   7.050   2.986   3.578
  896   3HD1  ILE 113          3HD1      ILE 113   7.602   3.558   2.004
  897    HA   PRO 114           HA       PRO 114  10.914  -3.427   6.155
  898   1HB   PRO 114          1HB       PRO 114   9.582  -2.154   8.529
  899   2HB   PRO 114          2HB       PRO 114  11.107  -3.081   8.452
  900   1HG   PRO 114          1HG       PRO 114  11.131  -0.368   8.657
  901   2HG   PRO 114          2HG       PRO 114  12.298  -1.220   7.594
  902   1HD   PRO 114          1HD       PRO 114   9.731   0.176   6.826
  903   2HD   PRO 114          2HD       PRO 114  11.339   0.229   6.041
  904    H    ASP 115           H        ASP 115   9.552  -5.013   7.525
  905    HA   ASP 115           HA       ASP 115   6.713  -5.039   6.580
  906   1HB   ASP 115          1HB       ASP 115   7.745  -6.764   5.403
  907   2HB   ASP 115          2HB       ASP 115   8.797  -7.199   6.758
  908    HA   PRO 116           HA       PRO 116   6.610  -4.900  11.111
  909   1HB   PRO 116          1HB       PRO 116   4.112  -3.940  11.513
  910   2HB   PRO 116          2HB       PRO 116   5.405  -2.921  10.816
  911   1HG   PRO 116          1HG       PRO 116   3.256  -4.478   9.339
  912   2HG   PRO 116          2HG       PRO 116   3.691  -2.753   9.131
  913   1HD   PRO 116          1HD       PRO 116   4.681  -4.762   7.532
  914   2HD   PRO 116          2HD       PRO 116   5.662  -3.324   7.938
  915    H    TYR 117           H        TYR 117   4.851  -7.101   9.036
  916    HA   TYR 117           HA       TYR 117   2.913  -8.144  10.729
  917   1HB   TYR 117          1HB       TYR 117   3.224  -8.610   8.317
  918   2HB   TYR 117          2HB       TYR 117   4.664  -9.555   8.683
  919    HD1  TYR 117           HD1      TYR 117   4.510 -11.801   9.553
  920    HD2  TYR 117           HD2      TYR 117   0.985  -9.417   8.921
  921    HE1  TYR 117           HE1      TYR 117   3.113 -13.844   9.773
  922    HE2  TYR 117           HE2      TYR 117  -0.440 -11.459   9.128
  923    HH   TYR 117           HH       TYR 117   0.949 -14.714   9.759
  924    H    ARG 118           H        ARG 118   3.021  -9.148  12.655
  925    HA   ARG 118           HA       ARG 118   3.752 -10.239  14.478
  926   1HB   ARG 118          1HB       ARG 118   4.998 -11.845  12.267
  927   2HB   ARG 118          2HB       ARG 118   5.565 -12.161  13.883
  928   1HG   ARG 118          1HG       ARG 118   3.785 -13.672  13.152
  929   2HG   ARG 118          2HG       ARG 118   3.428 -12.852  14.663
  930   1HD   ARG 118          1HD       ARG 118   2.364 -11.777  12.040
  931   2HD   ARG 118          2HD       ARG 118   1.571 -13.143  12.835
  932    HE   ARG 118           HE       ARG 118   1.614 -11.514  14.898
  933   1HH1  ARG 118          1HH2      ARG 118   0.653 -10.759  11.525
  934   2HH1  ARG 118          2HH2      ARG 118  -0.441  -9.491  12.071
  935   1HH2  ARG 118          1HH1      ARG 118   0.192  -9.727  15.448
  936   2HH2  ARG 118          2HH1      ARG 118  -0.670  -8.938  14.138
  937    H    LYS 119           H        LYS 119   5.454  -7.836  13.361
  938    HA   LYS 119           HA       LYS 119   7.824  -8.282  15.114
  939   1HB   LYS 119          1HB       LYS 119   7.145  -5.777  13.554
  940   2HB   LYS 119          2HB       LYS 119   8.692  -6.239  14.260
  941   1HG   LYS 119          1HG       LYS 119   7.346  -7.341  11.799
  942   2HG   LYS 119          2HG       LYS 119   8.865  -6.463  11.896
  943   1HD   LYS 119          1HD       LYS 119   9.892  -8.423  13.067
  944   2HD   LYS 119          2HD       LYS 119   8.373  -9.307  12.893
  945   1HE   LYS 119          1HE       LYS 119  10.212  -8.351  10.666
  946   2HE   LYS 119          2HE       LYS 119   9.863 -10.017  11.141
  947   1HZ   LYS 119          1HZ       LYS 119   8.041  -8.106   9.826
  948   2HZ   LYS 119          2HZ       LYS 119   8.557  -9.520   9.216
  949   3HZ   LYS 119          3HZ       LYS 119   7.493  -9.511  10.473
  950    H    SER 120           H        SER 120   8.296  -6.410  16.661
  951    HA   SER 120           HA       SER 120   6.219  -6.092  18.527
  952   1HB   SER 120          1HB       SER 120   8.652  -4.296  18.157
  953   2HB   SER 120          2HB       SER 120   7.781  -4.629  19.666
  954    HG   SER 120           HG       SER 120   9.699  -5.874  19.474
  955    H    ARG 121           H        ARG 121   5.124  -4.107  19.284
  956    HA   ARG 121           HA       ARG 121   3.827  -2.674  17.223
  957   1HB   ARG 121          1HB       ARG 121   2.945  -3.063  19.512
  958   2HB   ARG 121          2HB       ARG 121   4.108  -1.896  20.159
  959   1HG   ARG 121          1HG       ARG 121   3.084  -0.088  18.852
  960   2HG   ARG 121          2HG       ARG 121   2.000  -1.226  18.048
  961   1HD   ARG 121          1HD       ARG 121   2.016  -0.646  21.042
  962   2HD   ARG 121          2HD       ARG 121   0.943   0.117  19.857
  963    HE   ARG 121           HE       ARG 121   0.860  -2.802  19.844
  964   1HH1  ARG 121          1HH2      ARG 121  -0.495   0.082  21.401
  965   2HH1  ARG 121          2HH2      ARG 121  -1.974  -0.679  21.853
  966   1HH2  ARG 121          1HH1      ARG 121  -1.130  -3.820  20.432
  967   2HH2  ARG 121          2HH1      ARG 121  -2.365  -2.920  21.219
  968    H    GLU 122           H        GLU 122   6.847  -1.885  18.958
  969    HA   GLU 122           HA       GLU 122   7.056   0.814  18.117
  970   1HB   GLU 122          1HB       GLU 122   8.475  -0.300  19.824
  971   2HB   GLU 122          2HB       GLU 122   9.263  -1.247  18.553
  972   1HG   GLU 122          1HG       GLU 122  10.137   0.823  17.528
  973   2HG   GLU 122          2HG       GLU 122   9.252   1.802  18.701
  974    H    THR 123           H        THR 123   7.704  -2.259  16.377
  975    HA   THR 123           HA       THR 123   8.953  -0.937  14.112
  976    HB   THR 123           HB       THR 123   7.689  -3.696  14.228
  977    HG1  THR 123           1HG      THR 123   9.753  -4.386  14.913
  978   1HG2  THR 123          1HG2      THR 123   9.472  -4.224  12.553
  979   2HG2  THR 123          2HG2      THR 123   8.354  -2.982  11.970
  980   3HG2  THR 123          3HG2      THR 123   9.964  -2.517  12.564
  981    H    PHE 124           H        PHE 124   5.583  -1.971  14.998
  982    HA   PHE 124           HA       PHE 124   4.426  -1.257  12.463
  983   1HB   PHE 124          1HB       PHE 124   3.296  -1.426  15.274
  984   2HB   PHE 124          2HB       PHE 124   2.369  -0.753  13.954
  985    HD1  PHE 124           HD1      PHE 124   1.308  -2.079  12.295
  986    HD2  PHE 124           HD2      PHE 124   3.997  -3.902  15.137
  987    HE1  PHE 124           HE1      PHE 124   0.502  -4.330  11.636
  988    HE2  PHE 124           HE2      PHE 124   3.176  -6.137  14.472
  989    HZ   PHE 124           HZ       PHE 124   1.426  -6.361  12.722
  990    H    ALA 125           H        ALA 125   5.193   0.716  15.406
  991    HA   ALA 125           HA       ALA 125   4.061   3.122  14.357
  992   1HB   ALA 125          1HB       ALA 125   4.568   2.774  16.751
  993   2HB   ALA 125          2HB       ALA 125   6.310   2.782  16.388
  994   3HB   ALA 125          3HB       ALA 125   5.340   4.242  16.118
  995    H    ALA 126           H        ALA 126   7.415   1.806  14.166
  996    HA   ALA 126           HA       ALA 126   8.561   3.991  12.749
  997   1HB   ALA 126          1HB       ALA 126   9.881   2.166  13.780
  998   2HB   ALA 126          2HB       ALA 126   9.243   1.018  12.579
  999   3HB   ALA 126          3HB       ALA 126  10.273   2.366  12.061
 1000    H    VAL 127           H        VAL 127   6.997   0.976  11.493
 1001    HA   VAL 127           HA       VAL 127   7.194   1.767   8.764
 1002    HB   VAL 127           HB       VAL 127   5.376  -0.212  10.190
 1003   1HG1  VAL 127          1HG1      VAL 127   4.219   0.421   8.133
 1004   2HG1  VAL 127          2HG1      VAL 127   5.722   0.267   7.192
 1005   3HG1  VAL 127          3HG1      VAL 127   4.951  -1.163   7.900
 1006   1HG2  VAL 127          1HG2      VAL 127   7.847  -0.718  10.134
 1007   2HG2  VAL 127          2HG2      VAL 127   6.911  -1.865   9.180
 1008   3HG2  VAL 127          3HG2      VAL 127   7.806  -0.570   8.368
 1009    H    TYR 128           H        TYR 128   4.559   2.387  11.220
 1010    HA   TYR 128           HA       TYR 128   2.799   3.595   9.384
 1011   1HB   TYR 128          1HB       TYR 128   2.321   2.973  11.778
 1012   2HB   TYR 128          2HB       TYR 128   3.182   4.420  12.289
 1013    HD1  TYR 128           HD1      TYR 128   0.046   3.044  11.139
 1014    HD2  TYR 128           HD2      TYR 128   2.286   6.723  11.439
 1015    HE1  TYR 128           HE1      TYR 128  -2.030   4.343  10.768
 1016    HE2  TYR 128           HE2      TYR 128   0.233   8.019  11.041
 1017    HH   TYR 128           HH       TYR 128  -2.085   7.923  10.690
 1018    H    THR 129           H        THR 129   5.538   5.068  11.225
 1019    HA   THR 129           HA       THR 129   5.248   7.770  10.198
 1020    HB   THR 129           HB       THR 129   7.789   6.285  10.991
 1021    HG1  THR 129           1HG      THR 129   6.335   6.030  12.668
 1022   1HG2  THR 129          1HG2      THR 129   8.160   8.517  10.010
 1023   2HG2  THR 129          2HG2      THR 129   6.999   9.228  11.150
 1024   3HG2  THR 129          3HG2      THR 129   8.523   8.524  11.741
 1025    H    LEU 130           H        LEU 130   7.243   5.004   8.947
 1026    HA   LEU 130           HA       LEU 130   8.169   6.590   6.780
 1027   1HB   LEU 130          1HB       LEU 130   9.282   4.617   7.743
 1028   2HB   LEU 130          2HB       LEU 130   8.019   3.566   7.101
 1029    HG   LEU 130           HG       LEU 130   8.711   3.951   4.846
 1030   1HD1  LEU 130          1HD1      LEU 130  10.670   6.041   5.920
 1031   2HD1  LEU 130          2HD1      LEU 130  10.677   5.397   4.261
 1032   3HD1  LEU 130          3HD1      LEU 130   9.300   6.337   4.825
 1033   1HD2  LEU 130          1HD2      LEU 130  11.200   3.653   6.593
 1034   2HD2  LEU 130          2HD2      LEU 130  10.038   2.367   6.259
 1035   3HD2  LEU 130          3HD2      LEU 130  10.999   3.051   4.934
 1036    H    LEU 131           H        LEU 131   5.305   4.503   7.070
 1037    HA   LEU 131           HA       LEU 131   4.550   4.674   4.283
 1038   1HB   LEU 131          1HB       LEU 131   2.959   4.029   6.805
 1039   2HB   LEU 131          2HB       LEU 131   2.259   4.039   5.193
 1040    HG   LEU 131           HG       LEU 131   4.476   2.169   6.119
 1041   1HD1  LEU 131          1HD1      LEU 131   2.246   1.685   7.085
 1042   2HD1  LEU 131          2HD1      LEU 131   1.542   1.655   5.451
 1043   3HD1  LEU 131          3HD1      LEU 131   2.743   0.436   5.934
 1044   1HD2  LEU 131          1HD2      LEU 131   4.770   2.597   3.752
 1045   2HD2  LEU 131          2HD2      LEU 131   4.093   0.990   3.982
 1046   3HD2  LEU 131          3HD2      LEU 131   3.037   2.325   3.453
 1047    H    GLU 132           H        GLU 132   3.542   6.526   7.254
 1048    HA   GLU 132           HA       GLU 132   1.675   8.182   5.892
 1049   1HB   GLU 132          1HB       GLU 132   1.737   7.978   8.316
 1050   2HB   GLU 132          2HB       GLU 132   3.378   8.636   8.384
 1051   1HG   GLU 132          1HG       GLU 132   2.610  10.825   7.671
 1052   2HG   GLU 132          2HG       GLU 132   1.000  10.197   7.322
 1053    H    ARG 133           H        ARG 133   5.146   8.558   6.541
 1054    HA   ARG 133           HA       ARG 133   5.562  11.096   5.411
 1055   1HB   ARG 133          1HB       ARG 133   7.089   9.592   6.801
 1056   2HB   ARG 133          2HB       ARG 133   7.405   8.649   5.354
 1057   1HG   ARG 133          1HG       ARG 133   7.949  11.317   4.610
 1058   2HG   ARG 133          2HG       ARG 133   8.387  11.216   6.329
 1059   1HD   ARG 133          1HD       ARG 133  10.322  10.775   4.862
 1060   2HD   ARG 133          2HD       ARG 133   9.934   9.374   5.873
 1061    HE   ARG 133           HE       ARG 133   8.583   8.863   3.514
 1062   1HH1  ARG 133          1HH2      ARG 133  11.984   9.650   4.193
 1063   2HH1  ARG 133          2HH2      ARG 133  12.587   8.694   2.867
 1064   1HH2  ARG 133          1HH1      ARG 133   9.407   7.423   1.974
 1065   2HH2  ARG 133          2HH1      ARG 133  11.122   7.345   1.664
 1066    H    SER 134           H        SER 134   5.839   7.855   3.799
 1067    HA   SER 134           HA       SER 134   6.469   9.127   1.275
 1068   1HB   SER 134          1HB       SER 134   5.780   6.223   1.740
 1069   2HB   SER 134          2HB       SER 134   6.762   6.937   0.450
 1070    HG   SER 134           HG       SER 134   7.365   6.472   3.159
 1071    H    ALA 135           H        ALA 135   3.475   7.834   2.750
 1072    HA   ALA 135           HA       ALA 135   1.816   8.000   0.450
 1073   1HB   ALA 135          1HB       ALA 135   0.996   6.931   2.485
 1074   2HB   ALA 135          2HB       ALA 135   1.166   8.445   3.397
 1075   3HB   ALA 135          3HB       ALA 135  -0.037   8.310   2.099
 1076    H    ARG 136           H        ARG 136   2.989  10.508   2.780
 1077    HA   ARG 136           HA       ARG 136   1.346  12.612   1.762
 1078   1HB   ARG 136          1HB       ARG 136   2.868  12.447   3.900
 1079   2HB   ARG 136          2HB       ARG 136   4.156  13.032   2.848
 1080   1HG   ARG 136          1HG       ARG 136   2.830  15.072   2.360
 1081   2HG   ARG 136          2HG       ARG 136   1.496  14.439   3.351
 1082   1HD   ARG 136          1HD       ARG 136   3.174  14.274   5.287
 1083   2HD   ARG 136          2HD       ARG 136   4.304  15.170   4.278
 1084    HE   ARG 136           HE       ARG 136   2.973  17.101   4.420
 1085   1HH1  ARG 136          1HH2      ARG 136   1.461  14.451   6.273
 1086   2HH1  ARG 136          2HH2      ARG 136   0.675  15.514   7.386
 1087   1HH2  ARG 136          1HH1      ARG 136   1.792  18.488   5.809
 1088   2HH2  ARG 136          2HH1      ARG 136   0.782  17.848   7.047
 1089    H    GLN 137           H        GLN 137   4.635  11.451   0.836
 1090    HA   GLN 137           HA       GLN 137   5.016  13.378  -1.222
 1091   1HB   GLN 137          1HB       GLN 137   6.169  10.564  -1.013
 1092   2HB   GLN 137          2HB       GLN 137   6.710  11.846  -2.101
 1093   1HG   GLN 137          1HG       GLN 137   7.251  13.274  -0.106
 1094   2HG   GLN 137          2HG       GLN 137   6.847  11.913   0.944
 1095   1HE2  GLN 137          2HE2      GLN 137   9.180  13.177  -1.393
 1096   2HE2  GLN 137          1HE2      GLN 137  10.349  11.887  -1.258
 1097    H    TRP 138           H        TRP 138   3.609  10.033  -1.374
 1098    HA   TRP 138           HA       TRP 138   2.975  10.091  -4.125
 1099   1HB   TRP 138          1HB       TRP 138   2.009   8.563  -1.737
 1100   2HB   TRP 138          2HB       TRP 138   0.912   8.645  -3.103
 1101    HD1  TRP 138           HD1      TRP 138   4.192   7.047  -2.067
 1102    HE1  TRP 138           HE1      TRP 138   5.048   5.493  -3.927
 1103    HE3  TRP 138           HE3      TRP 138   0.741   8.143  -5.688
 1104    HZ2  TRP 138           HZ2      TRP 138   4.298   4.781  -6.625
 1105    HZ3  TRP 138           HZ3      TRP 138   0.821   6.993  -7.883
 1106    HH2  TRP 138           HH2      TRP 138   2.588   5.324  -8.365
 1107    H    ALA 139           H        ALA 139   1.006  11.265  -1.320
 1108    HA   ALA 139           HA       ALA 139  -1.183  12.100  -2.881
 1109   1HB   ALA 139          1HB       ALA 139  -0.162  13.253  -0.253
 1110   2HB   ALA 139          2HB       ALA 139  -1.773  13.491  -0.957
 1111   3HB   ALA 139          3HB       ALA 139  -1.263  11.866  -0.440
 1112    H    GLN 140           H        GLN 140   1.833  13.887  -2.028
 1113    HA   GLN 140           HA       GLN 140   1.077  16.376  -3.123
 1114   1HB   GLN 140          1HB       GLN 140   3.029  16.105  -1.708
 1115   2HB   GLN 140          2HB       GLN 140   3.784  15.011  -2.859
 1116   1HG   GLN 140          1HG       GLN 140   4.872  17.141  -2.959
 1117   2HG   GLN 140          2HG       GLN 140   4.060  16.840  -4.484
 1118   1HE2  GLN 140          2HE2      GLN 140   2.026  18.060  -4.944
 1119   2HE2  GLN 140          1HE2      GLN 140   1.783  19.608  -4.150
 1120    H    ALA 141           H        ALA 141   2.408  13.443  -4.744
 1121    HA   ALA 141           HA       ALA 141   2.627  14.764  -7.321
 1122   1HB   ALA 141          1HB       ALA 141   4.020  12.828  -6.643
 1123   2HB   ALA 141          2HB       ALA 141   2.566  11.803  -6.591
 1124   3HB   ALA 141          3HB       ALA 141   3.102  12.510  -8.125
 1125    H    LEU 142           H        LEU 142   0.277  12.479  -5.842
 1126    HA   LEU 142           HA       LEU 142  -1.521  12.293  -8.017
 1127   1HB   LEU 142          1HB       LEU 142  -2.037  12.222  -5.020
 1128   2HB   LEU 142          2HB       LEU 142  -3.263  11.828  -6.212
 1129    HG   LEU 142           HG       LEU 142  -0.627  10.315  -5.984
 1130   1HD1  LEU 142          1HD1      LEU 142  -3.363   9.603  -4.845
 1131   2HD1  LEU 142          2HD1      LEU 142  -1.926   8.557  -4.840
 1132   3HD1  LEU 142          3HD1      LEU 142  -1.923  10.057  -3.907
 1133   1HD2  LEU 142          1HD2      LEU 142  -1.710  10.101  -8.193
 1134   2HD2  LEU 142          2HD2      LEU 142  -1.737   8.588  -7.286
 1135   3HD2  LEU 142          3HD2      LEU 142  -3.212   9.566  -7.399
 1136    H    ASN 143           H        ASN 143  -1.370  14.755  -5.407
 1137    HA   ASN 143           HA       ASN 143  -3.633  16.248  -6.140
 1138   1HB   ASN 143          1HB       ASN 143  -2.368  16.566  -4.036
 1139   2HB   ASN 143          2HB       ASN 143  -1.001  17.211  -4.945
 1140   1HD2  ASN 143          2HD2      ASN 143  -0.939  19.458  -5.018
 1141   2HD2  ASN 143          1HD2      ASN 143  -2.334  20.492  -4.888
 1142    H    ALA 144           H        ALA 144  -0.497  16.054  -7.706
 1143    HA   ALA 144           HA       ALA 144  -1.228  18.274  -9.523
 1144   1HB   ALA 144          1HB       ALA 144   1.508  17.032  -8.954
 1145   2HB   ALA 144          2HB       ALA 144   1.194  18.406 -10.037
 1146   3HB   ALA 144          3HB       ALA 144   0.929  18.578  -8.293
 1147    H    GLU 145           H        GLU 145  -2.189  15.534  -9.466
 1148    HA   GLU 145           HA       GLU 145  -2.551  13.711 -10.774
 1149   1HB   GLU 145          1HB       GLU 145  -3.650  14.311 -12.879
 1150   2HB   GLU 145          2HB       GLU 145  -4.146  15.328 -11.534
 1151   1HG   GLU 145          1HG       GLU 145  -2.763  17.181 -12.353
 1152   2HG   GLU 145          2HG       GLU 145  -2.115  16.173 -13.648
 1153    H    GLN 146           H        GLN 146   0.136  13.837 -10.441
 1154    HA   GLN 146           HA       GLN 146   1.517  13.489 -12.924
 1155   1HB   GLN 146          1HB       GLN 146   2.148  12.423 -10.141
 1156   2HB   GLN 146          2HB       GLN 146   3.266  12.408 -11.505
 1157   1HG   GLN 146          1HG       GLN 146   2.155  14.906 -10.147
 1158   2HG   GLN 146          2HG       GLN 146   3.785  14.267 -10.000
 1159   1HE2  GLN 146          2HE2      GLN 146   1.510  16.002 -12.101
 1160   2HE2  GLN 146          1HE2      GLN 146   2.697  16.494 -13.292
 1161    H    VAL 147           H        VAL 147   2.391  11.631 -13.747
 1162    HA   VAL 147           HA       VAL 147   0.984   9.077 -13.560
 1163    HB   VAL 147           HB       VAL 147   0.683   9.230 -16.107
 1164   1HG1  VAL 147          1HG1      VAL 147  -1.189   9.260 -14.485
 1165   2HG1  VAL 147          2HG1      VAL 147  -1.104  11.040 -14.436
 1166   3HG1  VAL 147          3HG1      VAL 147  -1.524  10.210 -15.948
 1167   1HG2  VAL 147          1HG2      VAL 147   1.982  11.327 -16.512
 1168   2HG2  VAL 147          2HG2      VAL 147   0.323  11.432 -17.111
 1169   3HG2  VAL 147          3HG2      VAL 147   0.766  12.252 -15.602
  Start of MODEL    3
    1    H    MET   1           H        MET   1  -6.931  10.377 -15.042
    2    HA   MET   1           HA       MET   1  -4.159  10.197 -14.107
    3   1HB   MET   1          1HB       MET   1  -5.398  12.212 -13.283
    4   2HB   MET   1          2HB       MET   1  -6.600  11.163 -12.535
    5   1HG   MET   1          1HG       MET   1  -3.636  10.932 -11.901
    6   2HG   MET   1          2HG       MET   1  -4.631  12.155 -11.136
    7   1HE   MET   1          1HE       MET   1  -6.015  11.874  -9.074
    8   2HE   MET   1          2HE       MET   1  -7.251  11.145 -10.127
    9   3HE   MET   1          3HE       MET   1  -6.806  10.363  -8.591
   10    H    PHE   2           H        PHE   2  -3.696   8.401 -12.775
   11    HA   PHE   2           HA       PHE   2  -5.360   6.059 -13.151
   12   1HB   PHE   2          1HB       PHE   2  -3.473   5.000 -11.802
   13   2HB   PHE   2          2HB       PHE   2  -3.116   5.627 -13.388
   14    HD1  PHE   2           HD1      PHE   2  -2.548   6.227  -9.753
   15    HD2  PHE   2           HD2      PHE   2  -1.602   7.459 -13.779
   16    HE1  PHE   2           HE1      PHE   2  -0.694   7.616  -8.892
   17    HE2  PHE   2           HE2      PHE   2   0.253   8.853 -12.908
   18    HZ   PHE   2           HZ       PHE   2   0.707   8.946 -10.467
   19    H    ASN   3           H        ASN   3  -7.189   7.311 -12.002
   20    HA   ASN   3           HA       ASN   3  -7.129   7.840  -9.253
   21   1HB   ASN   3          1HB       ASN   3  -8.874   8.669 -10.789
   22   2HB   ASN   3          2HB       ASN   3  -9.498   7.030 -10.987
   23   1HD2  ASN   3          2HD2      ASN   3  -9.154   9.731  -8.632
   24   2HD2  ASN   3          1HD2      ASN   3 -10.402   9.154  -7.551
   25    H    ASN   4           H        ASN   4  -7.355   4.684 -10.785
   26    HA   ASN   4           HA       ASN   4  -8.404   3.427  -8.282
   27   1HB   ASN   4          1HB       ASN   4  -8.136   2.431 -11.161
   28   2HB   ASN   4          2HB       ASN   4  -8.256   1.349  -9.784
   29   1HD2  ASN   4          2HD2      ASN   4 -10.166   0.446 -10.846
   30   2HD2  ASN   4          1HD2      ASN   4 -11.688   1.269 -10.599
   31    H    ILE   5           H        ILE   5  -6.811   2.615  -6.954
   32    HA   ILE   5           HA       ILE   5  -4.145   1.929  -8.130
   33    HB   ILE   5           HB       ILE   5  -4.737   3.611  -5.676
   34   1HG1  ILE   5          1HG1      ILE   5  -3.570   4.349  -8.383
   35   2HG1  ILE   5          2HG1      ILE   5  -5.063   4.928  -7.649
   36   1HG2  ILE   5          1HG2      ILE   5  -2.334   3.873  -5.312
   37   2HG2  ILE   5          2HG2      ILE   5  -2.755   2.185  -5.250
   38   3HG2  ILE   5          3HG2      ILE   5  -1.984   2.830  -6.714
   39   1HD1  ILE   5          1HD1      ILE   5  -2.257   5.655  -6.799
   40   2HD1  ILE   5          2HD1      ILE   5  -3.515   6.688  -7.497
   41   3HD1  ILE   5          3HD1      ILE   5  -3.733   6.023  -5.863
   42    H    LEU   6           H        LEU   6  -3.126   0.174  -7.060
   43    HA   LEU   6           HA       LEU   6  -4.749  -1.152  -4.909
   44   1HB   LEU   6          1HB       LEU   6  -4.525  -2.105  -7.455
   45   2HB   LEU   6          2HB       LEU   6  -3.072  -2.793  -6.756
   46    HG   LEU   6           HG       LEU   6  -5.961  -3.245  -5.946
   47   1HD1  LEU   6          1HD1      LEU   6  -3.719  -5.108  -6.840
   48   2HD1  LEU   6          2HD1      LEU   6  -5.399  -5.587  -6.497
   49   3HD1  LEU   6          3HD1      LEU   6  -5.035  -4.536  -7.874
   50   1HD2  LEU   6          1HD2      LEU   6  -3.509  -4.166  -4.428
   51   2HD2  LEU   6          2HD2      LEU   6  -4.849  -3.176  -3.832
   52   3HD2  LEU   6          3HD2      LEU   6  -5.134  -4.860  -4.243
   53    H    VAL   7           H        VAL   7  -3.539  -1.538  -3.055
   54    HA   VAL   7           HA       VAL   7  -0.565  -1.402  -3.291
   55    HB   VAL   7           HB       VAL   7  -2.207  -1.368  -0.734
   56   1HG1  VAL   7          1HG1      VAL   7   0.196  -2.000  -0.579
   57   2HG1  VAL   7          2HG1      VAL   7   0.649  -0.498  -1.407
   58   3HG1  VAL   7          3HG1      VAL   7  -0.108  -0.451   0.196
   59   1HG2  VAL   7          1HG2      VAL   7  -1.832   1.086  -0.659
   60   2HG2  VAL   7          2HG2      VAL   7  -1.191   1.037  -2.315
   61   3HG2  VAL   7          3HG2      VAL   7  -2.888   0.626  -1.990
   62    H    VAL   8           H        VAL   8   0.582  -3.294  -3.093
   63    HA   VAL   8           HA       VAL   8  -0.910  -5.733  -2.226
   64    HB   VAL   8           HB       VAL   8   0.981  -5.480  -4.604
   65   1HG1  VAL   8          1HG1      VAL   8   1.050  -7.711  -3.526
   66   2HG1  VAL   8          2HG1      VAL   8  -0.725  -7.817  -3.620
   67   3HG1  VAL   8          3HG1      VAL   8   0.255  -7.799  -5.098
   68   1HG2  VAL   8          1HG2      VAL   8  -1.017  -5.948  -5.998
   69   2HG2  VAL   8          2HG2      VAL   8  -2.039  -5.859  -4.551
   70   3HG2  VAL   8          3HG2      VAL   8  -1.179  -4.416  -5.140
   71    H    CYS   9           H        CYS   9   0.097  -6.621  -0.475
   72    HA   CYS   9           HA       CYS   9   3.077  -6.406  -0.310
   73   1HB   CYS   9          1HB       CYS   9   1.290  -6.037   2.107
   74   2HB   CYS   9          2HB       CYS   9   3.002  -5.637   1.920
   75    HG   CYS   9           HG       CYS   9   0.258  -4.192   0.897
   76    H    VAL  10           H        VAL  10   4.134  -8.066   0.804
   77    HA   VAL  10           HA       VAL  10   2.485 -10.482   1.355
   78    HB   VAL  10           HB       VAL  10   4.936 -10.483   0.506
   79   1HG1  VAL  10          1HG1      VAL  10   6.684 -10.694   2.188
   80   2HG1  VAL  10          2HG1      VAL  10   5.968  -9.085   2.287
   81   3HG1  VAL  10          3HG1      VAL  10   5.544 -10.315   3.491
   82   1HG2  VAL  10          1HG2      VAL  10   3.657 -12.487   1.067
   83   2HG2  VAL  10          2HG2      VAL  10   5.338 -12.649   1.584
   84   3HG2  VAL  10          3HG2      VAL  10   4.079 -12.303   2.786
   85    H    GLY  11           H        GLY  11   1.761 -11.028   3.519
   86   1HA   GLY  11          1HA       GLY  11   0.997 -10.488   5.614
   87   2HA   GLY  11          2HA       GLY  11   2.375  -9.376   5.824
   88    H    ASN  12           H        ASN  12  -0.026  -9.295   3.214
   89    HA   ASN  12           HA       ASN  12  -0.813  -6.770   3.111
   90   1HB   ASN  12          1HB       ASN  12  -1.756  -8.143   1.568
   91   2HB   ASN  12          2HB       ASN  12  -2.296  -9.338   2.743
   92   1HD2  ASN  12          2HD2      ASN  12  -3.328  -5.969   3.258
   93   2HD2  ASN  12          1HD2      ASN  12  -4.994  -6.357   2.968
   94    H    ILE  13           H        ILE  13  -2.013  -8.930   5.685
   95    HA   ILE  13           HA       ILE  13  -4.195  -7.554   6.566
   96    HB   ILE  13           HB       ILE  13  -3.941  -8.751   8.667
   97   1HG1  ILE  13          1HG1      ILE  13  -1.107  -9.468   7.769
   98   2HG1  ILE  13          2HG1      ILE  13  -1.511  -8.323   9.047
   99   1HG2  ILE  13          1HG2      ILE  13  -4.675  -9.945   6.609
  100   2HG2  ILE  13          2HG2      ILE  13  -3.005 -10.504   6.339
  101   3HG2  ILE  13          3HG2      ILE  13  -3.907 -11.012   7.767
  102   1HD1  ILE  13          1HD1      ILE  13  -0.912 -10.398  10.073
  103   2HD1  ILE  13          2HD1      ILE  13  -2.655 -10.163  10.305
  104   3HD1  ILE  13          3HD1      ILE  13  -2.052 -11.312   9.081
  105    H    CYS  14           H        CYS  14  -1.109  -6.144   6.780
  106    HA   CYS  14           HA       CYS  14  -2.219  -4.072   8.594
  107   1HB   CYS  14          1HB       CYS  14   0.072  -3.889   9.664
  108   2HB   CYS  14          2HB       CYS  14  -0.915  -5.291  10.119
  109    HG   CYS  14           HG       CYS  14   1.574  -6.027  10.029
  110    H    ARG  15           H        ARG  15   0.311  -4.928   6.141
  111    HA   ARG  15           HA       ARG  15   1.274  -2.214   6.016
  112   1HB   ARG  15          1HB       ARG  15   1.560  -4.539   4.069
  113   2HB   ARG  15          2HB       ARG  15   2.512  -3.052   4.002
  114   1HG   ARG  15          1HG       ARG  15   3.646  -3.571   6.079
  115   2HG   ARG  15          2HG       ARG  15   2.499  -4.855   6.455
  116   1HD   ARG  15          1HD       ARG  15   4.127  -6.188   5.702
  117   2HD   ARG  15          2HD       ARG  15   3.314  -5.902   4.177
  118    HE   ARG  15           HE       ARG  15   5.584  -4.119   4.927
  119   1HH1  ARG  15          1HH1      ARG  15   4.631  -7.086   3.182
  120   2HH1  ARG  15          2HH1      ARG  15   6.003  -6.997   2.096
  121   1HH2  ARG  15          1HH2      ARG  15   7.551  -4.284   3.680
  122   2HH2  ARG  15          2HH2      ARG  15   7.776  -5.703   2.696
  123    H    SER  16           H        SER  16  -0.705  -4.136   3.666
  124    HA   SER  16           HA       SER  16  -1.049  -2.049   1.872
  125   1HB   SER  16          1HB       SER  16  -3.162  -4.149   2.229
  126   2HB   SER  16          2HB       SER  16  -2.541  -3.418   0.742
  127    HG   SER  16           HG       SER  16  -1.710  -5.468   0.894
  128    HA   PRO  17           HA       PRO  17  -5.269  -0.856   3.673
  129   1HB   PRO  17          1HB       PRO  17  -5.983  -1.333   6.272
  130   2HB   PRO  17          2HB       PRO  17  -6.280  -2.456   4.918
  131   1HG   PRO  17          1HG       PRO  17  -3.974  -2.510   6.891
  132   2HG   PRO  17          2HG       PRO  17  -5.042  -3.867   6.417
  133   1HD   PRO  17          1HD       PRO  17  -2.639  -3.512   5.264
  134   2HD   PRO  17          2HD       PRO  17  -4.042  -4.033   4.284
  135    H    THR  18           H        THR  18  -2.413  -0.708   5.826
  136    HA   THR  18           HA       THR  18  -3.170   1.837   6.986
  137    HB   THR  18           HB       THR  18  -0.434   0.517   6.768
  138    HG1  THR  18           1HG      THR  18  -1.505  -0.849   7.952
  139   1HG2  THR  18          1HG2      THR  18  -0.252   2.894   7.401
  140   2HG2  THR  18          2HG2      THR  18  -1.513   2.685   8.632
  141   3HG2  THR  18          3HG2      THR  18   0.060   1.869   8.808
  142    H    ALA  19           H        ALA  19  -1.096   0.825   4.185
  143    HA   ALA  19           HA       ALA  19  -0.473   3.459   3.298
  144   1HB   ALA  19          1HB       ALA  19   0.603   1.437   2.375
  145   2HB   ALA  19          2HB       ALA  19  -0.949   0.910   1.701
  146   3HB   ALA  19          3HB       ALA  19  -0.179   2.379   1.077
  147    H    GLU  20           H        GLU  20  -3.243   1.283   2.489
  148    HA   GLU  20           HA       GLU  20  -4.516   2.954   0.646
  149   1HB   GLU  20          1HB       GLU  20  -5.099   0.588   1.109
  150   2HB   GLU  20          2HB       GLU  20  -5.778   1.062   2.673
  151   1HG   GLU  20          1HG       GLU  20  -7.427   2.527   1.467
  152   2HG   GLU  20          2HG       GLU  20  -6.792   1.902  -0.058
  153    H    ARG  21           H        ARG  21  -5.211   2.760   4.221
  154    HA   ARG  21           HA       ARG  21  -7.088   4.914   4.080
  155   1HB   ARG  21          1HB       ARG  21  -5.511   3.704   6.390
  156   2HB   ARG  21          2HB       ARG  21  -6.706   4.977   6.626
  157   1HG   ARG  21          1HG       ARG  21  -7.368   2.341   5.274
  158   2HG   ARG  21          2HG       ARG  21  -7.540   2.630   6.999
  159   1HD   ARG  21          1HD       ARG  21  -9.148   4.428   6.629
  160   2HD   ARG  21          2HD       ARG  21  -9.000   4.285   4.876
  161    HE   ARG  21           HE       ARG  21 -10.423   2.479   6.708
  162   1HH1  ARG  21          1HH2      ARG  21  -9.173   2.952   3.447
  163   2HH1  ARG  21          2HH2      ARG  21  -9.755   1.461   2.801
  164   1HH2  ARG  21          1HH1      ARG  21 -11.353   0.537   5.883
  165   2HH2  ARG  21          2HH1      ARG  21 -11.220   0.160   4.191
  166    H    LEU  22           H        LEU  22  -3.550   4.962   4.614
  167    HA   LEU  22           HA       LEU  22  -3.453   7.739   5.328
  168   1HB   LEU  22          1HB       LEU  22  -1.483   5.772   4.115
  169   2HB   LEU  22          2HB       LEU  22  -1.064   7.468   4.296
  170    HG   LEU  22           HG       LEU  22  -2.047   5.863   6.684
  171   1HD1  LEU  22          1HD1      LEU  22  -0.122   4.666   5.831
  172   2HD1  LEU  22          2HD1      LEU  22   0.775   6.165   5.613
  173   3HD1  LEU  22          3HD1      LEU  22   0.387   5.592   7.254
  174   1HD2  LEU  22          1HD2      LEU  22  -0.700   7.635   7.873
  175   2HD2  LEU  22          2HD2      LEU  22  -0.446   8.442   6.319
  176   3HD2  LEU  22          3HD2      LEU  22  -2.084   8.278   6.981
  177    H    LEU  23           H        LEU  23  -3.288   6.073   2.128
  178    HA   LEU  23           HA       LEU  23  -2.947   8.515   0.637
  179   1HB   LEU  23          1HB       LEU  23  -3.967   5.742  -0.072
  180   2HB   LEU  23          2HB       LEU  23  -3.891   7.055  -1.248
  181    HG   LEU  23           HG       LEU  23  -1.411   6.295   0.312
  182   1HD1  LEU  23          1HD1      LEU  23  -0.773   4.777  -1.540
  183   2HD1  LEU  23          2HD1      LEU  23  -2.170   4.197  -0.658
  184   3HD1  LEU  23          3HD1      LEU  23  -2.371   4.969  -2.259
  185   1HD2  LEU  23          1HD2      LEU  23  -1.365   8.403  -0.987
  186   2HD2  LEU  23          2HD2      LEU  23  -0.290   7.200  -1.706
  187   3HD2  LEU  23          3HD2      LEU  23  -1.864   7.526  -2.448
  188    H    GLN  24           H        GLN  24  -5.873   6.627   1.604
  189    HA   GLN  24           HA       GLN  24  -7.737   8.295   0.231
  190   1HB   GLN  24          1HB       GLN  24  -8.040   6.569   2.727
  191   2HB   GLN  24          2HB       GLN  24  -9.380   7.339   1.895
  192   1HG   GLN  24          1HG       GLN  24  -7.550   5.219   0.672
  193   2HG   GLN  24          2HG       GLN  24  -9.170   4.956   1.299
  194   1HE2  GLN  24          2HE2      GLN  24 -10.877   6.546   0.238
  195   2HE2  GLN  24          1HE2      GLN  24 -10.695   6.762  -1.510
  196    H    ARG  25           H        ARG  25  -6.319   8.531   3.544
  197    HA   ARG  25           HA       ARG  25  -7.815  10.738   4.459
  198   1HB   ARG  25          1HB       ARG  25  -6.481   9.527   5.996
  199   2HB   ARG  25          2HB       ARG  25  -5.039   9.673   5.009
  200   1HG   ARG  25          1HG       ARG  25  -4.900  12.098   5.525
  201   2HG   ARG  25          2HG       ARG  25  -6.307  11.930   6.602
  202   1HD   ARG  25          1HD       ARG  25  -5.085  10.417   8.050
  203   2HD   ARG  25          2HD       ARG  25  -3.798  10.231   6.843
  204    HE   ARG  25           HE       ARG  25  -4.237  12.947   7.886
  205   1HH1  ARG  25          1HH2      ARG  25  -2.319   9.965   8.191
  206   2HH1  ARG  25          2HH2      ARG  25  -0.904  10.776   8.797
  207   1HH2  ARG  25          1HH1      ARG  25  -2.370  13.987   8.791
  208   2HH2  ARG  25          2HH1      ARG  25  -0.982  13.050   9.213
  209    H    TYR  26           H        TYR  26  -4.632  10.746   2.704
  210    HA   TYR  26           HA       TYR  26  -4.625  13.588   2.517
  211   1HB   TYR  26          1HB       TYR  26  -3.075  11.466   0.996
  212   2HB   TYR  26          2HB       TYR  26  -2.824  13.196   0.784
  213    HD1  TYR  26           HD1      TYR  26  -1.521  10.440   2.490
  214    HD2  TYR  26           HD2      TYR  26  -2.608  14.567   3.123
  215    HE1  TYR  26           HE1      TYR  26  -0.018  10.535   4.463
  216    HE2  TYR  26           HE2      TYR  26  -1.126  14.667   5.093
  217    HH   TYR  26           HH       TYR  26   0.334  13.502   6.468
  218    H    HIS  27           H        HIS  27  -5.939  11.133   0.272
  219    HA   HIS  27           HA       HIS  27  -7.153  13.319  -1.351
  220   1HB   HIS  27          1HB       HIS  27  -5.495  10.971  -2.327
  221   2HB   HIS  27          2HB       HIS  27  -6.666  11.812  -3.339
  222    HD1  HIS  27           HD1      HIS  27  -5.230  14.597  -1.560
  223    HD2  HIS  27           HD2      HIS  27  -3.960  11.959  -4.582
  224    HE1  HIS  27           HE1      HIS  27  -3.501  15.860  -2.948
  225    HA   PRO  28           HA       PRO  28 -10.200  10.162   0.011
  226   1HB   PRO  28          1HB       PRO  28 -12.389  11.794   0.346
  227   2HB   PRO  28          2HB       PRO  28 -11.084  11.608   1.557
  228   1HG   PRO  28          1HG       PRO  28 -11.391  13.786  -0.531
  229   2HG   PRO  28          2HG       PRO  28 -11.038  13.970   1.218
  230   1HD   PRO  28          1HD       PRO  28  -9.069  14.025  -0.652
  231   2HD   PRO  28          2HD       PRO  28  -8.804  13.240   0.935
  232    H    GLU  29           H        GLU  29 -10.216  12.318  -2.747
  233    HA   GLU  29           HA       GLU  29 -12.522  11.092  -4.053
  234   1HB   GLU  29          1HB       GLU  29 -11.726  13.458  -4.359
  235   2HB   GLU  29          2HB       GLU  29 -10.295  12.840  -5.190
  236   1HG   GLU  29          1HG       GLU  29 -11.687  11.935  -6.990
  237   2HG   GLU  29          2HG       GLU  29 -13.161  12.294  -6.085
  238    H    LEU  30           H        LEU  30  -9.335  10.058  -3.418
  239    HA   LEU  30           HA       LEU  30  -8.802   8.713  -5.936
  240   1HB   LEU  30          1HB       LEU  30  -7.177   9.754  -4.223
  241   2HB   LEU  30          2HB       LEU  30  -7.455   8.309  -3.248
  242    HG   LEU  30           HG       LEU  30  -6.445   6.932  -5.049
  243   1HD1  LEU  30          1HD1      LEU  30  -5.282   8.085  -6.942
  244   2HD1  LEU  30          2HD1      LEU  30  -7.029   8.249  -7.043
  245   3HD1  LEU  30          3HD1      LEU  30  -6.044   9.613  -6.464
  246   1HD2  LEU  30          1HD2      LEU  30  -4.132   7.852  -4.755
  247   2HD2  LEU  30          2HD2      LEU  30  -4.808   9.402  -4.251
  248   3HD2  LEU  30          3HD2      LEU  30  -5.048   7.965  -3.246
  249    H    LYS  31           H        LYS  31  -8.673   6.379  -6.161
  250    HA   LYS  31           HA       LYS  31 -10.433   4.855  -4.270
  251   1HB   LYS  31          1HB       LYS  31 -11.501   5.325  -6.411
  252   2HB   LYS  31          2HB       LYS  31 -10.112   4.703  -7.289
  253   1HG   LYS  31          1HG       LYS  31 -12.094   3.218  -7.267
  254   2HG   LYS  31          2HG       LYS  31 -10.616   2.442  -6.728
  255   1HD   LYS  31          1HD       LYS  31 -11.327   2.446  -4.427
  256   2HD   LYS  31          2HD       LYS  31 -12.691   3.537  -4.786
  257   1HE   LYS  31          1HE       LYS  31 -13.752   1.855  -6.187
  258   2HE   LYS  31          2HE       LYS  31 -12.367   0.767  -6.031
  259   1HZ   LYS  31          1HZ       LYS  31 -14.328   0.281  -4.586
  260   2HZ   LYS  31          2HZ       LYS  31 -12.905   0.319  -3.811
  261   3HZ   LYS  31          3HZ       LYS  31 -13.965   1.591  -3.685
  262    H    VAL  32           H        VAL  32  -8.322   4.683  -3.119
  263    HA   VAL  32           HA       VAL  32  -6.460   2.742  -4.322
  264    HB   VAL  32           HB       VAL  32  -6.422   3.875  -1.499
  265   1HG1  VAL  32          1HG1      VAL  32  -5.076   1.822  -1.848
  266   2HG1  VAL  32          2HG1      VAL  32  -4.274   2.574  -3.243
  267   3HG1  VAL  32          3HG1      VAL  32  -4.037   3.222  -1.609
  268   1HG2  VAL  32          1HG2      VAL  32  -4.598   5.373  -2.429
  269   2HG2  VAL  32          2HG2      VAL  32  -5.154   4.971  -4.048
  270   3HG2  VAL  32          3HG2      VAL  32  -6.228   5.807  -2.913
  271    H    GLU  33           H        GLU  33  -6.532   0.573  -3.809
  272    HA   GLU  33           HA       GLU  33  -8.042  -0.225  -1.406
  273   1HB   GLU  33          1HB       GLU  33  -9.253  -0.489  -3.848
  274   2HB   GLU  33          2HB       GLU  33  -8.462  -2.065  -3.686
  275   1HG   GLU  33          1HG       GLU  33  -9.587  -2.441  -1.547
  276   2HG   GLU  33          2HG       GLU  33 -10.166  -0.778  -1.498
  277    H    SER  34           H        SER  34  -7.530  -2.825  -1.161
  278    HA   SER  34           HA       SER  34  -4.568  -3.035  -1.471
  279   1HB   SER  34          1HB       SER  34  -4.828  -3.998   0.930
  280   2HB   SER  34          2HB       SER  34  -4.828  -2.240   0.678
  281    HG   SER  34           HG       SER  34  -6.949  -2.137   1.011
  282    H    ALA  35           H        ALA  35  -3.610  -5.112  -1.253
  283    HA   ALA  35           HA       ALA  35  -5.166  -7.507  -0.794
  284   1HB   ALA  35          1HB       ALA  35  -3.902  -7.088  -3.556
  285   2HB   ALA  35          2HB       ALA  35  -4.673  -8.580  -2.972
  286   3HB   ALA  35          3HB       ALA  35  -5.649  -7.140  -3.240
  287    H    GLY  36           H        GLY  36  -3.312  -9.420  -1.510
  288   1HA   GLY  36          1HA       GLY  36  -0.582  -8.371  -1.199
  289   2HA   GLY  36          2HA       GLY  36  -1.141  -9.471   0.058
  290    H    LEU  37           H        LEU  37   1.095  -9.845  -1.640
  291    HA   LEU  37           HA       LEU  37   0.519 -11.876  -3.632
  292   1HB   LEU  37          1HB       LEU  37   2.988 -10.999  -2.090
  293   2HB   LEU  37          2HB       LEU  37   3.033 -12.398  -3.150
  294    HG   LEU  37           HG       LEU  37   2.046  -9.732  -4.203
  295   1HD1  LEU  37          1HD1      LEU  37   4.251  -9.292  -3.231
  296   2HD1  LEU  37          2HD1      LEU  37   4.932 -10.685  -4.093
  297   3HD1  LEU  37          3HD1      LEU  37   4.336  -9.272  -5.000
  298   1HD2  LEU  37          1HD2      LEU  37   3.385 -12.116  -5.559
  299   2HD2  LEU  37          2HD2      LEU  37   1.653 -11.762  -5.598
  300   3HD2  LEU  37          3HD2      LEU  37   2.791 -10.646  -6.363
  301    H    GLY  38           H        GLY  38   1.012 -11.868  -0.133
  302   1HA   GLY  38          1HA       GLY  38   0.320 -14.763  -0.012
  303   2HA   GLY  38          2HA       GLY  38   1.757 -14.155   0.839
  304    H    ALA  39           H        ALA  39  -1.588 -12.992   0.258
  305    HA   ALA  39           HA       ALA  39  -1.804 -11.817   2.933
  306   1HB   ALA  39          1HB       ALA  39  -2.824 -10.792   0.884
  307   2HB   ALA  39          2HB       ALA  39  -3.870 -12.222   0.729
  308   3HB   ALA  39          3HB       ALA  39  -4.026 -11.142   2.130
  309    H    LEU  40           H        LEU  40  -4.082 -12.289   3.987
  310    HA   LEU  40           HA       LEU  40  -4.615 -15.231   4.107
  311   1HB   LEU  40          1HB       LEU  40  -4.524 -13.215   6.387
  312   2HB   LEU  40          2HB       LEU  40  -5.132 -14.867   6.519
  313    HG   LEU  40           HG       LEU  40  -2.256 -14.116   5.839
  314   1HD1  LEU  40          1HD1      LEU  40  -3.468 -15.167   8.432
  315   2HD1  LEU  40          2HD1      LEU  40  -1.742 -14.869   8.123
  316   3HD1  LEU  40          3HD1      LEU  40  -2.879 -13.514   8.148
  317   1HD2  LEU  40          1HD2      LEU  40  -2.824 -16.315   4.898
  318   2HD2  LEU  40          2HD2      LEU  40  -1.778 -16.517   6.303
  319   3HD2  LEU  40          3HD2      LEU  40  -3.522 -16.829   6.451
  320    H    VAL  41           H        VAL  41  -6.353 -15.153   2.755
  321    HA   VAL  41           HA       VAL  41  -8.093 -13.047   2.362
  322    HB   VAL  41           HB       VAL  41  -8.877 -15.978   2.151
  323   1HG1  VAL  41          1HG1      VAL  41  -9.723 -13.510   0.556
  324   2HG1  VAL  41          2HG1      VAL  41 -10.251 -15.179   0.253
  325   3HG1  VAL  41          3HG1      VAL  41 -10.717 -14.370   1.750
  326   1HG2  VAL  41          1HG2      VAL  41  -8.005 -15.860  -0.194
  327   2HG2  VAL  41          2HG2      VAL  41  -7.241 -14.307   0.194
  328   3HG2  VAL  41          3HG2      VAL  41  -6.731 -15.798   1.014
  329    H    GLY  42           H        GLY  42  -9.542 -12.028   3.582
  330   1HA   GLY  42          1HA       GLY  42 -11.373 -11.721   4.911
  331   2HA   GLY  42          2HA       GLY  42 -11.517 -13.471   5.118
  332    H    LYS  43           H        LYS  43  -8.343 -12.493   6.070
  333    HA   LYS  43           HA       LYS  43  -8.958 -13.229   8.750
  334   1HB   LYS  43          1HB       LYS  43  -6.845 -13.643   7.519
  335   2HB   LYS  43          2HB       LYS  43  -6.391 -11.949   7.713
  336   1HG   LYS  43          1HG       LYS  43  -7.153 -13.489  10.193
  337   2HG   LYS  43          2HG       LYS  43  -5.674 -13.991   9.384
  338   1HD   LYS  43          1HD       LYS  43  -4.590 -11.920   9.729
  339   2HD   LYS  43          2HD       LYS  43  -6.091 -11.070  10.072
  340   1HE   LYS  43          1HE       LYS  43  -4.889 -11.353  12.134
  341   2HE   LYS  43          2HE       LYS  43  -6.360 -12.324  12.181
  342   1HZ   LYS  43          1HZ       LYS  43  -4.446 -13.525  13.041
  343   2HZ   LYS  43          2HZ       LYS  43  -5.007 -14.286  11.719
  344   3HZ   LYS  43          3HZ       LYS  43  -3.640 -13.383  11.636
  345    H    GLY  44           H        GLY  44  -9.220 -10.059   7.306
  346   1HA   GLY  44          1HA       GLY  44  -9.948  -8.122   8.318
  347   2HA   GLY  44          2HA       GLY  44  -9.742  -8.850   9.912
  348    H    ALA  45           H        ALA  45  -8.922  -6.257   9.505
  349    HA   ALA  45           HA       ALA  45  -6.096  -6.045   8.919
  350   1HB   ALA  45          1HB       ALA  45  -6.325  -3.833  10.047
  351   2HB   ALA  45          2HB       ALA  45  -7.545  -4.074   8.784
  352   3HB   ALA  45          3HB       ALA  45  -7.995  -4.242  10.492
  353    H    ASP  46           H        ASP  46  -4.359  -6.006  10.391
  354    HA   ASP  46           HA       ASP  46  -4.637  -7.650  12.754
  355   1HB   ASP  46          1HB       ASP  46  -2.602  -7.626  11.355
  356   2HB   ASP  46          2HB       ASP  46  -2.286  -5.957  11.849
  357    HA   PRO  47           HA       PRO  47  -6.013  -4.295  15.419
  358   1HB   PRO  47          1HB       PRO  47  -4.689  -5.969  17.557
  359   2HB   PRO  47          2HB       PRO  47  -6.282  -5.147  17.596
  360   1HG   PRO  47          1HG       PRO  47  -6.139  -7.804  17.093
  361   2HG   PRO  47          2HG       PRO  47  -7.235  -6.769  16.120
  362   1HD   PRO  47          1HD       PRO  47  -4.500  -7.826  15.382
  363   2HD   PRO  47          2HD       PRO  47  -5.988  -7.708  14.391
  364    H    THR  48           H        THR  48  -2.599  -5.259  15.307
  365    HA   THR  48           HA       THR  48  -1.706  -3.140  17.098
  366    HB   THR  48           HB       THR  48   0.067  -4.477  15.075
  367    HG1  THR  48           1HG      THR  48  -1.025  -6.170  15.713
  368   1HG2  THR  48          1HG2      THR  48   1.074  -2.888  16.606
  369   2HG2  THR  48          2HG2      THR  48   0.379  -3.723  18.017
  370   3HG2  THR  48          3HG2      THR  48   1.630  -4.516  17.032
  371    H    ALA  49           H        ALA  49  -2.183  -3.628  13.588
  372    HA   ALA  49           HA       ALA  49  -1.056  -1.089  12.771
  373   1HB   ALA  49          1HB       ALA  49  -1.405  -3.030  11.253
  374   2HB   ALA  49          2HB       ALA  49  -3.158  -2.868  11.445
  375   3HB   ALA  49          3HB       ALA  49  -2.231  -1.566  10.666
  376    H    ILE  50           H        ILE  50  -4.354  -2.273  13.626
  377    HA   ILE  50           HA       ILE  50  -5.700   0.159  13.096
  378    HB   ILE  50           HB       ILE  50  -6.415  -1.882  15.223
  379   1HG1  ILE  50          1HG1      ILE  50  -7.260  -1.843  12.283
  380   2HG1  ILE  50          2HG1      ILE  50  -6.146  -2.984  13.008
  381   1HG2  ILE  50          1HG2      ILE  50  -7.675   0.274  15.390
  382   2HG2  ILE  50          2HG2      ILE  50  -8.218   0.070  13.713
  383   3HG2  ILE  50          3HG2      ILE  50  -8.724  -1.068  14.981
  384   1HD1  ILE  50          1HD1      ILE  50  -8.206  -4.123  12.835
  385   2HD1  ILE  50          2HD1      ILE  50  -8.032  -3.726  14.553
  386   3HD1  ILE  50          3HD1      ILE  50  -9.121  -2.773  13.516
  387    H    SER  51           H        SER  51  -4.279  -1.014  16.230
  388    HA   SER  51           HA       SER  51  -5.109   1.311  17.632
  389   1HB   SER  51          1HB       SER  51  -3.543   0.568  19.394
  390   2HB   SER  51          2HB       SER  51  -4.599  -0.727  18.818
  391    HG   SER  51           HG       SER  51  -2.970  -1.680  17.830
  392    H    VAL  52           H        VAL  52  -1.972   0.601  15.954
  393    HA   VAL  52           HA       VAL  52  -0.759   3.080  16.686
  394    HB   VAL  52           HB       VAL  52  -0.354   1.146  14.382
  395   1HG1  VAL  52          1HG1      VAL  52   0.349   3.354  13.520
  396   2HG1  VAL  52          2HG1      VAL  52   1.346   3.610  14.969
  397   3HG1  VAL  52          3HG1      VAL  52   1.722   2.300  13.819
  398   1HG2  VAL  52          1HG2      VAL  52   0.331   0.408  16.642
  399   2HG2  VAL  52          2HG2      VAL  52   1.762   0.710  15.650
  400   3HG2  VAL  52          3HG2      VAL  52   1.275   1.894  16.867
  401    H    ALA  53           H        ALA  53  -2.941   2.265  13.897
  402    HA   ALA  53           HA       ALA  53  -2.676   4.872  12.735
  403   1HB   ALA  53          1HB       ALA  53  -4.631   4.239  11.422
  404   2HB   ALA  53          2HB       ALA  53  -3.504   2.872  11.521
  405   3HB   ALA  53          3HB       ALA  53  -4.969   2.892  12.534
  406    H    ALA  54           H        ALA  54  -4.940   3.529  15.193
  407    HA   ALA  54           HA       ALA  54  -6.547   5.875  15.394
  408   1HB   ALA  54          1HB       ALA  54  -5.965   3.711  17.474
  409   2HB   ALA  54          2HB       ALA  54  -7.308   4.871  17.519
  410   3HB   ALA  54          3HB       ALA  54  -7.243   3.646  16.235
  411    H    GLU  55           H        GLU  55  -3.441   4.954  16.993
  412    HA   GLU  55           HA       GLU  55  -3.340   7.133  18.776
  413   1HB   GLU  55          1HB       GLU  55  -1.835   5.071  18.601
  414   2HB   GLU  55          2HB       GLU  55  -0.923   5.947  17.364
  415   1HG   GLU  55          1HG       GLU  55  -0.455   7.755  18.996
  416   2HG   GLU  55          2HG       GLU  55  -1.404   6.902  20.218
  417    H    HIS  56           H        HIS  56  -3.058   7.121  15.299
  418    HA   HIS  56           HA       HIS  56  -2.279   9.998  15.283
  419   1HB   HIS  56          1HB       HIS  56  -2.183   7.923  13.067
  420   2HB   HIS  56          2HB       HIS  56  -1.689   9.612  12.921
  421    HD1  HIS  56           HD1      HIS  56   0.470  10.273  14.733
  422    HD2  HIS  56           HD2      HIS  56  -0.291   6.267  13.704
  423    HE1  HIS  56           HE1      HIS  56   2.575   8.974  15.325
  424    H    GLN  57           H        GLN  57  -4.982   8.429  15.721
  425    HA   GLN  57           HA       GLN  57  -7.150   8.631  15.194
  426   1HB   GLN  57          1HB       GLN  57  -6.364  11.535  14.705
  427   2HB   GLN  57          2HB       GLN  57  -8.007  10.936  14.916
  428   1HG   GLN  57          1HG       GLN  57  -7.429  11.796  17.010
  429   2HG   GLN  57          2HG       GLN  57  -7.358  10.049  17.188
  430   1HE2  GLN  57          2HE2      GLN  57  -5.425   9.167  17.992
  431   2HE2  GLN  57          1HE2      GLN  57  -3.922  10.052  18.126
  432    H    LEU  58           H        LEU  58  -5.767   7.442  13.146
  433    HA   LEU  58           HA       LEU  58  -7.515   8.228  10.832
  434   1HB   LEU  58          1HB       LEU  58  -5.165   8.375  10.227
  435   2HB   LEU  58          2HB       LEU  58  -4.843   6.775  10.905
  436    HG   LEU  58           HG       LEU  58  -6.144   5.686   9.175
  437   1HD1  LEU  58          1HD1      LEU  58  -6.878   8.514   8.300
  438   2HD1  LEU  58          2HD1      LEU  58  -7.019   7.118   7.221
  439   3HD1  LEU  58          3HD1      LEU  58  -7.970   7.164   8.698
  440   1HD2  LEU  58          1HD2      LEU  58  -4.323   7.801   7.958
  441   2HD2  LEU  58          2HD2      LEU  58  -3.772   6.311   8.752
  442   3HD2  LEU  58          3HD2      LEU  58  -4.727   6.212   7.274
  443    H    SER  59           H        SER  59  -9.258   6.898  10.737
  444    HA   SER  59           HA       SER  59  -9.476   4.513  12.273
  445   1HB   SER  59          1HB       SER  59 -11.074   5.324   9.801
  446   2HB   SER  59          2HB       SER  59 -11.605   4.259  11.113
  447    HG   SER  59           HG       SER  59 -11.592   6.040  12.509
  448    H    LEU  60           H        LEU  60  -9.078   2.373  11.688
  449    HA   LEU  60           HA       LEU  60  -7.836   1.871   9.019
  450   1HB   LEU  60          1HB       LEU  60  -6.645   1.895  11.469
  451   2HB   LEU  60          2HB       LEU  60  -7.199   0.249  11.458
  452    HG   LEU  60           HG       LEU  60  -4.848   0.598  10.825
  453   1HD1  LEU  60          1HD1      LEU  60  -6.390  -0.604   8.511
  454   2HD1  LEU  60          2HD1      LEU  60  -4.685  -0.884   8.928
  455   3HD1  LEU  60          3HD1      LEU  60  -5.964  -1.430  10.026
  456   1HD2  LEU  60          1HD2      LEU  60  -4.089   1.667   8.920
  457   2HD2  LEU  60          2HD2      LEU  60  -5.688   1.728   8.151
  458   3HD2  LEU  60          3HD2      LEU  60  -5.320   2.777   9.537
  459    H    GLU  61           H        GLU  61 -10.715   1.606  10.019
  460    HA   GLU  61           HA       GLU  61 -11.092  -1.285  10.389
  461   1HB   GLU  61          1HB       GLU  61 -13.022   1.076  10.440
  462   2HB   GLU  61          2HB       GLU  61 -13.463  -0.601  10.786
  463   1HG   GLU  61          1HG       GLU  61 -11.809  -0.635  12.660
  464   2HG   GLU  61          2HG       GLU  61 -11.462   1.071  12.370
  465    H    GLY  62           H        GLY  62 -12.849  -2.400   9.204
  466   1HA   GLY  62          1HA       GLY  62 -14.227  -2.834   7.442
  467   2HA   GLY  62          2HA       GLY  62 -13.852  -1.248   6.751
  468    H    HIS  63           H        HIS  63 -10.903  -2.811   7.267
  469    HA   HIS  63           HA       HIS  63 -10.587  -3.471   4.437
  470   1HB   HIS  63          1HB       HIS  63  -8.699  -2.499   5.652
  471   2HB   HIS  63          2HB       HIS  63  -8.760  -3.801   6.848
  472    HD1  HIS  63           HD1      HIS  63  -8.253  -3.594   2.960
  473    HD2  HIS  63           HD2      HIS  63  -7.079  -5.745   6.387
  474    HE1  HIS  63           HE1      HIS  63  -6.708  -5.406   2.159
  475    H    CYS  64           H        CYS  64 -10.487  -5.502   3.590
  476    HA   CYS  64           HA       CYS  64 -10.619  -7.868   5.387
  477   1HB   CYS  64          1HB       CYS  64 -12.219  -7.382   2.837
  478   2HB   CYS  64          2HB       CYS  64 -12.056  -8.956   3.639
  479    HG   CYS  64           HG       CYS  64 -14.425  -7.946   4.129
  480    H    ALA  65           H        ALA  65  -8.654  -8.786   5.084
  481    HA   ALA  65           HA       ALA  65  -6.936  -8.202   2.881
  482   1HB   ALA  65          1HB       ALA  65  -6.030  -8.788   5.039
  483   2HB   ALA  65          2HB       ALA  65  -6.886 -10.347   5.046
  484   3HB   ALA  65          3HB       ALA  65  -5.562 -10.064   3.899
  485    H    ARG  66           H        ARG  66  -6.097  -9.735   1.294
  486    HA   ARG  66           HA       ARG  66  -7.660 -12.024   0.465
  487   1HB   ARG  66          1HB       ARG  66  -8.698 -11.014  -1.544
  488   2HB   ARG  66          2HB       ARG  66  -9.367 -10.347  -0.061
  489   1HG   ARG  66          1HG       ARG  66  -7.803  -8.358  -0.332
  490   2HG   ARG  66          2HG       ARG  66  -7.346  -9.017  -1.913
  491   1HD   ARG  66          1HD       ARG  66  -9.705  -8.857  -2.654
  492   2HD   ARG  66          2HD       ARG  66 -10.152  -8.208  -1.055
  493    HE   ARG  66           HE       ARG  66  -7.986  -6.698  -2.085
  494   1HH1  ARG  66          1HH1      ARG  66 -11.544  -6.932  -2.548
  495   2HH1  ARG  66          2HH1      ARG  66 -11.617  -5.248  -3.023
  496   1HH2  ARG  66          1HH2      ARG  66  -8.199  -4.662  -2.856
  497   2HH2  ARG  66          2HH2      ARG  66  -9.803  -4.027  -3.277
  498    H    GLN  67           H        GLN  67  -6.667 -12.994  -1.439
  499    HA   GLN  67           HA       GLN  67  -3.906 -12.087  -1.788
  500   1HB   GLN  67          1HB       GLN  67  -4.711 -14.585  -1.617
  501   2HB   GLN  67          2HB       GLN  67  -5.125 -14.379  -3.332
  502   1HG   GLN  67          1HG       GLN  67  -2.742 -13.610  -3.731
  503   2HG   GLN  67          2HG       GLN  67  -2.410 -13.873  -2.019
  504   1HE2  GLN  67          2HE2      GLN  67  -0.631 -15.191  -3.038
  505   2HE2  GLN  67          1HE2      GLN  67  -0.989 -16.858  -3.440
  506    H    ILE  68           H        ILE  68  -3.011 -11.322  -3.571
  507    HA   ILE  68           HA       ILE  68  -4.591  -9.786  -5.374
  508    HB   ILE  68           HB       ILE  68  -2.232  -9.337  -4.728
  509   1HG1  ILE  68          1HG1      ILE  68  -1.359  -8.617  -6.883
  510   2HG1  ILE  68          2HG1      ILE  68  -2.487  -9.660  -7.744
  511   1HG2  ILE  68          1HG2      ILE  68  -1.358 -11.676  -4.811
  512   2HG2  ILE  68          2HG2      ILE  68  -1.409 -11.603  -6.576
  513   3HG2  ILE  68          3HG2      ILE  68  -0.354 -10.498  -5.675
  514   1HD1  ILE  68          1HD1      ILE  68  -3.136  -7.224  -7.642
  515   2HD1  ILE  68          2HD1      ILE  68  -4.379  -8.319  -7.024
  516   3HD1  ILE  68          3HD1      ILE  68  -3.357  -7.401  -5.893
  517    H    SER  69           H        SER  69  -5.054 -10.191  -7.567
  518    HA   SER  69           HA       SER  69  -4.430 -12.817  -8.711
  519   1HB   SER  69          1HB       SER  69  -6.697 -13.251  -9.426
  520   2HB   SER  69          2HB       SER  69  -6.709 -13.038  -7.667
  521    HG   SER  69           HG       SER  69  -8.392 -11.887  -8.608
  522    H    ARG  70           H        ARG  70  -4.731 -12.703 -11.141
  523    HA   ARG  70           HA       ARG  70  -3.751 -10.200 -12.149
  524   1HB   ARG  70          1HB       ARG  70  -3.263 -12.440 -13.097
  525   2HB   ARG  70          2HB       ARG  70  -4.933 -12.566 -13.670
  526   1HG   ARG  70          1HG       ARG  70  -4.602 -10.711 -15.213
  527   2HG   ARG  70          2HG       ARG  70  -3.014 -10.337 -14.503
  528   1HD   ARG  70          1HD       ARG  70  -2.125 -12.493 -15.226
  529   2HD   ARG  70          2HD       ARG  70  -3.713 -12.980 -15.853
  530    HE   ARG  70           HE       ARG  70  -3.232 -10.664 -17.233
  531   1HH1  ARG  70          1HH1      ARG  70  -1.309 -13.646 -16.843
  532   2HH1  ARG  70          2HH1      ARG  70  -0.635 -13.550 -18.428
  533   1HH2  ARG  70          1HH2      ARG  70  -2.427 -10.553 -19.196
  534   2HH2  ARG  70          2HH2      ARG  70  -1.281 -11.708 -19.858
  535    H    ARG  71           H        ARG  71  -7.047 -11.633 -11.981
  536    HA   ARG  71           HA       ARG  71  -8.378  -9.591 -13.447
  537   1HB   ARG  71          1HB       ARG  71  -9.374 -11.136 -11.004
  538   2HB   ARG  71          2HB       ARG  71 -10.381 -10.244 -12.137
  539   1HG   ARG  71          1HG       ARG  71  -8.739 -12.732 -12.784
  540   2HG   ARG  71          2HG       ARG  71 -10.484 -12.658 -12.531
  541   1HD   ARG  71          1HD       ARG  71 -10.712 -11.168 -14.505
  542   2HD   ARG  71          2HD       ARG  71  -8.960 -11.287 -14.788
  543    HE   ARG  71           HE       ARG  71  -9.920 -13.910 -14.647
  544   1HH1  ARG  71          1HH2      ARG  71 -10.417 -11.103 -16.765
  545   2HH1  ARG  71          2HH2      ARG  71 -10.744 -12.043 -18.172
  546   1HH2  ARG  71          1HH1      ARG  71 -10.362 -15.165 -16.520
  547   2HH2  ARG  71          2HH1      ARG  71 -10.715 -14.404 -18.024
  548    H    LEU  72           H        LEU  72  -7.600  -9.725  -9.883
  549    HA   LEU  72           HA       LEU  72  -8.604  -7.137  -9.334
  550   1HB   LEU  72          1HB       LEU  72  -6.666  -8.999  -8.008
  551   2HB   LEU  72          2HB       LEU  72  -6.421  -7.276  -7.711
  552    HG   LEU  72           HG       LEU  72  -8.775  -7.029  -7.056
  553   1HD1  LEU  72          1HD1      LEU  72  -8.871 -10.071  -7.021
  554   2HD1  LEU  72          2HD1      LEU  72 -10.132  -8.971  -6.432
  555   3HD1  LEU  72          3HD1      LEU  72  -9.757  -9.031  -8.159
  556   1HD2  LEU  72          1HD2      LEU  72  -8.491  -8.045  -4.812
  557   2HD2  LEU  72          2HD2      LEU  72  -7.165  -9.051  -5.430
  558   3HD2  LEU  72          3HD2      LEU  72  -6.997  -7.280  -5.369
  559    H    CYS  73           H        CYS  73  -5.296  -8.140 -10.430
  560    HA   CYS  73           HA       CYS  73  -4.152  -5.604 -10.332
  561   1HB   CYS  73          1HB       CYS  73  -3.671  -7.824 -12.381
  562   2HB   CYS  73          2HB       CYS  73  -2.648  -6.409 -12.175
  563    HG   CYS  73           HG       CYS  73  -3.415  -8.703  -9.918
  564    H    ARG  74           H        ARG  74  -6.016  -7.029 -13.102
  565    HA   ARG  74           HA       ARG  74  -5.774  -4.726 -14.770
  566   1HB   ARG  74          1HB       ARG  74  -7.761  -7.031 -14.637
  567   2HB   ARG  74          2HB       ARG  74  -7.871  -5.760 -15.859
  568   1HG   ARG  74          1HG       ARG  74  -5.696  -6.290 -16.760
  569   2HG   ARG  74          2HG       ARG  74  -5.357  -7.434 -15.457
  570   1HD   ARG  74          1HD       ARG  74  -5.997  -8.584 -17.561
  571   2HD   ARG  74          2HD       ARG  74  -7.071  -8.950 -16.216
  572    HE   ARG  74           HE       ARG  74  -8.825  -7.960 -17.289
  573   1HH1  ARG  74          1HH2      ARG  74  -5.855  -7.054 -19.083
  574   2HH1  ARG  74          2HH2      ARG  74  -6.744  -6.368 -20.400
  575   1HH2  ARG  74          1HH1      ARG  74  -9.949  -7.038 -19.051
  576   2HH2  ARG  74          2HH1      ARG  74  -9.096  -6.361 -20.383
  577    H    ASN  75           H        ASN  75  -7.968  -5.324 -12.037
  578    HA   ASN  75           HA       ASN  75  -9.944  -3.420 -12.798
  579   1HB   ASN  75          1HB       ASN  75 -10.285  -5.199 -11.096
  580   2HB   ASN  75          2HB       ASN  75  -9.194  -4.349 -10.003
  581   1HD2  ASN  75          2HD2      ASN  75 -10.056  -2.694  -8.706
  582   2HD2  ASN  75          1HD2      ASN  75 -11.692  -2.108  -8.868
  583    H    TYR  76           H        TYR  76  -6.702  -2.898 -11.590
  584    HA   TYR  76           HA       TYR  76  -7.397  -0.033 -11.106
  585   1HB   TYR  76          1HB       TYR  76  -5.211  -1.551  -9.673
  586   2HB   TYR  76          2HB       TYR  76  -5.744   0.084  -9.352
  587    HD1  TYR  76           HD1      TYR  76  -7.691   0.483  -7.817
  588    HD2  TYR  76           HD2      TYR  76  -6.614  -3.462  -9.091
  589    HE1  TYR  76           HE1      TYR  76  -9.276  -0.456  -6.194
  590    HE2  TYR  76           HE2      TYR  76  -8.208  -4.448  -7.474
  591    HH   TYR  76           HH       TYR  76  -9.829  -4.001  -5.869
  592    H    ASP  77           H        ASP  77  -5.299   1.388 -11.297
  593    HA   ASP  77           HA       ASP  77  -3.971   0.528 -13.846
  594   1HB   ASP  77          1HB       ASP  77  -5.949   2.055 -14.106
  595   2HB   ASP  77          2HB       ASP  77  -5.047   3.285 -13.216
  596    H    LEU  78           H        LEU  78  -3.261   1.140 -10.739
  597    HA   LEU  78           HA       LEU  78  -0.466   1.682 -11.368
  598   1HB   LEU  78          1HB       LEU  78  -1.845   3.900 -10.742
  599   2HB   LEU  78          2HB       LEU  78  -1.762   3.257  -9.119
  600    HG   LEU  78           HG       LEU  78  -0.076   4.908  -9.462
  601   1HD1  LEU  78          1HD1      LEU  78   1.444   2.285  -9.455
  602   2HD1  LEU  78          2HD1      LEU  78   1.898   3.823  -8.716
  603   3HD1  LEU  78          3HD1      LEU  78   0.529   2.915  -8.065
  604   1HD2  LEU  78          1HD2      LEU  78   1.133   3.252 -11.710
  605   2HD2  LEU  78          2HD2      LEU  78   0.088   4.670 -11.947
  606   3HD2  LEU  78          3HD2      LEU  78   1.637   4.856 -11.125
  607    H    ILE  79           H        ILE  79   0.707   0.301  -9.966
  608    HA   ILE  79           HA       ILE  79  -0.835  -0.939  -7.733
  609    HB   ILE  79           HB       ILE  79   1.198  -2.382  -9.445
  610   1HG1  ILE  79          1HG1      ILE  79  -0.773  -1.997 -10.856
  611   2HG1  ILE  79          2HG1      ILE  79  -0.504  -3.685 -10.489
  612   1HG2  ILE  79          1HG2      ILE  79   0.244  -4.402  -8.277
  613   2HG2  ILE  79          2HG2      ILE  79   1.111  -3.288  -7.214
  614   3HG2  ILE  79          3HG2      ILE  79  -0.662  -3.300  -7.226
  615   1HD1  ILE  79          1HD1      ILE  79  -2.346  -3.701  -8.876
  616   2HD1  ILE  79          2HD1      ILE  79  -2.593  -1.952  -9.104
  617   3HD1  ILE  79          3HD1      ILE  79  -2.901  -3.081 -10.433
  618    H    LEU  80           H        LEU  80   0.302  -1.027  -5.821
  619    HA   LEU  80           HA       LEU  80   2.998   0.270  -5.778
  620   1HB   LEU  80          1HB       LEU  80   0.623   0.554  -3.899
  621   2HB   LEU  80          2HB       LEU  80   2.235   1.172  -3.549
  622    HG   LEU  80           HG       LEU  80   0.566   2.041  -5.947
  623   1HD1  LEU  80          1HD1      LEU  80   0.921   3.356  -3.243
  624   2HD1  LEU  80          2HD1      LEU  80   0.200   4.138  -4.668
  625   3HD1  LEU  80          3HD1      LEU  80  -0.569   2.721  -3.936
  626   1HD2  LEU  80          1HD2      LEU  80   2.146   3.920  -6.068
  627   2HD2  LEU  80          2HD2      LEU  80   3.144   3.159  -4.811
  628   3HD2  LEU  80          3HD2      LEU  80   2.923   2.373  -6.387
  629    H    THR  81           H        THR  81   4.540  -0.824  -4.619
  630    HA   THR  81           HA       THR  81   3.639  -3.196  -3.035
  631    HB   THR  81           HB       THR  81   5.432  -4.406  -3.828
  632    HG1  THR  81           1HG      THR  81   7.257  -3.544  -4.462
  633   1HG2  THR  81          1HG2      THR  81   4.657  -2.850  -6.314
  634   2HG2  THR  81          2HG2      THR  81   5.228  -4.528  -6.229
  635   3HG2  THR  81          3HG2      THR  81   3.632  -4.113  -5.575
  636    H    MET  82           H        MET  82   5.480  -3.777  -1.327
  637    HA   MET  82           HA       MET  82   6.485  -1.242  -0.151
  638   1HB   MET  82          1HB       MET  82   6.144  -4.063   0.941
  639   2HB   MET  82          2HB       MET  82   6.782  -2.696   1.863
  640   1HG   MET  82          1HG       MET  82   4.026  -2.904   0.625
  641   2HG   MET  82          2HG       MET  82   4.391  -3.051   2.344
  642   1HE   MET  82          1HE       MET  82   2.367  -1.132   0.479
  643   2HE   MET  82          2HE       MET  82   2.170  -1.192   2.249
  644   3HE   MET  82          3HE       MET  82   2.353   0.372   1.418
  645    H    GLU  83           H        GLU  83   7.629  -4.084  -1.858
  646    HA   GLU  83           HA       GLU  83  10.438  -3.347  -1.210
  647   1HB   GLU  83          1HB       GLU  83   9.139  -6.102  -1.038
  648   2HB   GLU  83          2HB       GLU  83  10.886  -5.831  -1.043
  649   1HG   GLU  83          1HG       GLU  83  10.785  -4.605   1.049
  650   2HG   GLU  83          2HG       GLU  83   9.020  -4.646   1.049
  651    H    LYS  84           H        LYS  84  11.952  -3.970  -2.864
  652    HA   LYS  84           HA       LYS  84  10.903  -3.766  -5.505
  653   1HB   LYS  84          1HB       LYS  84  13.685  -4.656  -4.598
  654   2HB   LYS  84          2HB       LYS  84  13.209  -4.260  -6.246
  655   1HG   LYS  84          1HG       LYS  84  13.894  -2.180  -5.813
  656   2HG   LYS  84          2HG       LYS  84  12.369  -1.981  -4.961
  657   1HD   LYS  84          1HD       LYS  84  13.596  -2.687  -2.817
  658   2HD   LYS  84          2HD       LYS  84  15.094  -2.680  -3.775
  659   1HE   LYS  84          1HE       LYS  84  14.485  -0.272  -4.444
  660   2HE   LYS  84          2HE       LYS  84  13.219  -0.340  -3.216
  661   1HZ   LYS  84          1HZ       LYS  84  16.132  -0.554  -2.728
  662   2HZ   LYS  84          2HZ       LYS  84  15.130   0.688  -2.327
  663   3HZ   LYS  84          3HZ       LYS  84  15.002  -0.721  -1.542
  664    H    ARG  85           H        ARG  85  11.917  -6.652  -3.607
  665    HA   ARG  85           HA       ARG  85  11.602  -8.485  -5.741
  666   1HB   ARG  85          1HB       ARG  85  11.515 -10.224  -4.095
  667   2HB   ARG  85          2HB       ARG  85  12.731  -9.039  -3.637
  668   1HG   ARG  85          1HG       ARG  85  11.054  -8.038  -2.018
  669   2HG   ARG  85          2HG       ARG  85   9.958  -9.371  -2.397
  670   1HD   ARG  85          1HD       ARG  85  12.762  -9.653  -1.240
  671   2HD   ARG  85          2HD       ARG  85  11.255  -9.724  -0.312
  672    HE   ARG  85           HE       ARG  85  11.054 -11.642  -2.367
  673   1HH1  ARG  85          1HH2      ARG  85  12.995 -11.100   0.554
  674   2HH1  ARG  85          2HH2      ARG  85  13.294 -12.772   0.842
  675   1HH2  ARG  85          1HH1      ARG  85  11.458 -13.880  -1.991
  676   2HH2  ARG  85          2HH1      ARG  85  12.393 -14.384  -0.637
  677    H    HIS  86           H        HIS  86   9.098  -6.821  -3.862
  678    HA   HIS  86           HA       HIS  86   6.986  -8.714  -4.605
  679   1HB   HIS  86          1HB       HIS  86   6.891  -5.843  -3.641
  680   2HB   HIS  86          2HB       HIS  86   5.472  -6.823  -3.976
  681    HD1  HIS  86           HD1      HIS  86   7.933  -8.900  -2.082
  682    HD2  HIS  86           HD2      HIS  86   4.988  -6.001  -1.346
  683    HE1  HIS  86           HE1      HIS  86   7.424  -9.014   0.404
  684    H    ILE  87           H        ILE  87   8.477  -5.728  -5.980
  685    HA   ILE  87           HA       ILE  87   6.543  -5.290  -8.038
  686    HB   ILE  87           HB       ILE  87   9.543  -4.755  -8.205
  687   1HG1  ILE  87          1HG1      ILE  87   7.366  -2.922  -7.110
  688   2HG1  ILE  87          2HG1      ILE  87   8.607  -3.733  -6.149
  689   1HG2  ILE  87          1HG2      ILE  87   7.298  -3.243  -9.567
  690   2HG2  ILE  87          2HG2      ILE  87   9.040  -3.092  -9.850
  691   3HG2  ILE  87          3HG2      ILE  87   8.208  -4.553 -10.353
  692   1HD1  ILE  87          1HD1      ILE  87  10.363  -2.482  -7.467
  693   2HD1  ILE  87          2HD1      ILE  87   9.037  -1.503  -8.147
  694   3HD1  ILE  87          3HD1      ILE  87   9.327  -1.517  -6.400
  695    H    GLU  88           H        GLU  88   9.556  -7.275  -7.893
  696    HA   GLU  88           HA       GLU  88   9.413  -8.196 -10.569
  697   1HB   GLU  88          1HB       GLU  88  10.623  -9.522  -8.103
  698   2HB   GLU  88          2HB       GLU  88  10.869 -10.066  -9.767
  699   1HG   GLU  88          1HG       GLU  88  11.832  -7.837 -10.342
  700   2HG   GLU  88          2HG       GLU  88  11.667  -7.339  -8.659
  701    H    ARG  89           H        ARG  89   8.057  -9.662  -7.547
  702    HA   ARG  89           HA       ARG  89   6.933 -11.934  -8.877
  703   1HB   ARG  89          1HB       ARG  89   6.158 -10.521  -6.289
  704   2HB   ARG  89          2HB       ARG  89   5.428 -12.030  -6.857
  705   1HG   ARG  89          1HG       ARG  89   7.676 -13.120  -6.858
  706   2HG   ARG  89          2HG       ARG  89   8.391 -11.625  -6.259
  707   1HD   ARG  89          1HD       ARG  89   8.094 -13.134  -4.406
  708   2HD   ARG  89          2HD       ARG  89   6.988 -11.766  -4.216
  709    HE   ARG  89           HE       ARG  89   5.790 -14.034  -5.591
  710   1HH1  ARG  89          1HH1      ARG  89   6.605 -12.864  -2.341
  711   2HH1  ARG  89          2HH1      ARG  89   5.399 -13.803  -1.546
  712   1HH2  ARG  89          1HH2      ARG  89   4.164 -15.268  -4.538
  713   2HH2  ARG  89          2HH2      ARG  89   3.975 -15.196  -2.831
  714    H    LEU  90           H        LEU  90   5.560  -8.672  -8.215
  715    HA   LEU  90           HA       LEU  90   2.948  -9.219  -9.161
  716   1HB   LEU  90          1HB       LEU  90   4.079  -7.092  -7.963
  717   2HB   LEU  90          2HB       LEU  90   4.249  -6.543  -9.611
  718    HG   LEU  90           HG       LEU  90   2.297  -5.563  -8.719
  719   1HD1  LEU  90          1HD1      LEU  90   1.968  -6.434 -11.030
  720   2HD1  LEU  90          2HD1      LEU  90   1.173  -7.866 -10.331
  721   3HD1  LEU  90          3HD1      LEU  90   0.471  -6.261 -10.098
  722   1HD2  LEU  90          1HD2      LEU  90   1.997  -6.948  -6.767
  723   2HD2  LEU  90          2HD2      LEU  90   0.467  -6.797  -7.644
  724   3HD2  LEU  90          3HD2      LEU  90   1.398  -8.301  -7.764
  725    H    CYS  91           H        CYS  91   5.895  -8.020 -10.888
  726    HA   CYS  91           HA       CYS  91   4.672  -7.710 -13.437
  727   1HB   CYS  91          1HB       CYS  91   7.556  -8.420 -12.715
  728   2HB   CYS  91          2HB       CYS  91   6.992  -7.966 -14.329
  729    HG   CYS  91           HG       CYS  91   6.891  -6.242 -11.518
  730    H    GLU  92           H        GLU  92   6.149 -10.593 -11.832
  731    HA   GLU  92           HA       GLU  92   6.035 -12.258 -14.126
  732   1HB   GLU  92          1HB       GLU  92   7.432 -12.652 -12.110
  733   2HB   GLU  92          2HB       GLU  92   5.980 -13.053 -11.184
  734   1HG   GLU  92          1HG       GLU  92   5.524 -14.956 -12.689
  735   2HG   GLU  92          2HG       GLU  92   6.912 -14.519 -13.687
  736    H    MET  93           H        MET  93   3.673 -11.808 -11.399
  737    HA   MET  93           HA       MET  93   1.931 -13.806 -12.597
  738   1HB   MET  93          1HB       MET  93   0.544 -13.568 -10.666
  739   2HB   MET  93          2HB       MET  93   2.229 -13.744 -10.228
  740   1HG   MET  93          1HG       MET  93   1.391 -12.178  -8.727
  741   2HG   MET  93          2HG       MET  93   2.345 -11.255  -9.869
  742   1HE   MET  93          1HE       MET  93  -1.228 -12.323  -8.776
  743   2HE   MET  93          2HE       MET  93  -2.265 -11.152  -9.619
  744   3HE   MET  93          3HE       MET  93  -1.481 -12.454 -10.536
  745    H    ALA  94           H        ALA  94   2.077 -10.296 -12.793
  746    HA   ALA  94           HA       ALA  94  -0.212 -10.432 -14.692
  747   1HB   ALA  94          1HB       ALA  94   0.043  -8.411 -12.436
  748   2HB   ALA  94          2HB       ALA  94  -1.141  -8.351 -13.759
  749   3HB   ALA  94          3HB       ALA  94  -1.190  -9.683 -12.588
  750    HA   PRO  95           HA       PRO  95   3.656  -8.368 -16.218
  751   1HB   PRO  95          1HB       PRO  95   3.588  -9.311 -18.817
  752   2HB   PRO  95          2HB       PRO  95   4.310 -10.191 -17.437
  753   1HG   PRO  95          1HG       PRO  95   1.540 -10.525 -18.617
  754   2HG   PRO  95          2HG       PRO  95   2.721 -11.801 -18.180
  755   1HD   PRO  95          1HD       PRO  95   0.686 -11.134 -16.524
  756   2HD   PRO  95          2HD       PRO  95   2.305 -11.516 -15.865
  757    H    GLU  96           H        GLU  96   0.318  -8.250 -17.357
  758    HA   GLU  96           HA       GLU  96   0.456  -6.094 -19.163
  759   1HB   GLU  96          1HB       GLU  96  -1.627  -6.723 -17.019
  760   2HB   GLU  96          2HB       GLU  96  -1.872  -5.639 -18.400
  761   1HG   GLU  96          1HG       GLU  96  -1.561  -7.502 -19.966
  762   2HG   GLU  96          2HG       GLU  96  -1.169  -8.589 -18.627
  763    H    MET  97           H        MET  97   0.789  -6.182 -15.650
  764    HA   MET  97           HA       MET  97   0.558  -3.241 -15.435
  765   1HB   MET  97          1HB       MET  97   0.941  -5.308 -13.235
  766   2HB   MET  97          2HB       MET  97   0.560  -3.599 -13.030
  767   1HG   MET  97          1HG       MET  97  -1.201  -5.774 -14.170
  768   2HG   MET  97          2HG       MET  97  -1.451  -4.809 -12.717
  769   1HE   MET  97          1HE       MET  97  -2.661  -2.478 -12.648
  770   2HE   MET  97          2HE       MET  97  -1.144  -1.876 -13.361
  771   3HE   MET  97          3HE       MET  97  -2.711  -1.394 -14.049
  772    H    ARG  98           H        ARG  98   3.081  -5.094 -16.429
  773    HA   ARG  98           HA       ARG  98   5.210  -4.346 -14.711
  774   1HB   ARG  98          1HB       ARG  98   6.686  -4.823 -16.532
  775   2HB   ARG  98          2HB       ARG  98   5.367  -5.990 -16.563
  776   1HG   ARG  98          1HG       ARG  98   4.281  -4.447 -18.360
  777   2HG   ARG  98          2HG       ARG  98   5.851  -3.632 -18.432
  778   1HD   ARG  98          1HD       ARG  98   6.951  -5.788 -18.963
  779   2HD   ARG  98          2HD       ARG  98   5.394  -6.617 -18.899
  780    HE   ARG  98           HE       ARG  98   6.470  -4.967 -21.034
  781   1HH1  ARG  98          1HH2      ARG  98   3.419  -6.178 -19.652
  782   2HH1  ARG  98          2HH2      ARG  98   2.569  -6.125 -21.162
  783   1HH2  ARG  98          1HH1      ARG  98   5.315  -4.849 -23.009
  784   2HH2  ARG  98          2HH1      ARG  98   3.661  -5.319 -23.094
  785    H    GLY  99           H        GLY  99   6.373  -2.454 -14.443
  786   1HA   GLY  99          1HA       GLY  99   6.958  -0.238 -14.653
  787   2HA   GLY  99          2HA       GLY  99   6.040  -0.131 -16.159
  788    H    LYS 100           H        LYS 100   3.441  -1.002 -15.083
  789    HA   LYS 100           HA       LYS 100   2.569   1.418 -13.703
  790   1HB   LYS 100          1HB       LYS 100   1.079  -1.192 -14.225
  791   2HB   LYS 100          2HB       LYS 100   0.383   0.277 -13.543
  792   1HG   LYS 100          1HG       LYS 100   1.007   1.518 -15.627
  793   2HG   LYS 100          2HG       LYS 100   1.561  -0.012 -16.340
  794   1HD   LYS 100          1HD       LYS 100  -0.710  -0.962 -16.103
  795   2HD   LYS 100          2HD       LYS 100  -1.263   0.537 -15.324
  796   1HE   LYS 100          1HE       LYS 100  -0.606   1.796 -17.401
  797   2HE   LYS 100          2HE       LYS 100  -0.230   0.252 -18.180
  798   1HZ   LYS 100          1HZ       LYS 100  -2.460   1.014 -18.715
  799   2HZ   LYS 100          2HZ       LYS 100  -2.567  -0.373 -17.862
  800   3HZ   LYS 100          3HZ       LYS 100  -2.889   1.071 -17.136
  801    H    VAL 101           H        VAL 101   3.744  -1.766 -12.670
  802    HA   VAL 101           HA       VAL 101   2.953  -1.207  -9.914
  803    HB   VAL 101           HB       VAL 101   2.903  -3.494 -10.624
  804   1HG1  VAL 101          1HG1      VAL 101   5.869  -3.310 -11.257
  805   2HG1  VAL 101          2HG1      VAL 101   4.929  -4.808 -11.129
  806   3HG1  VAL 101          3HG1      VAL 101   4.557  -3.638 -12.386
  807   1HG2  VAL 101          1HG2      VAL 101   4.290  -4.468  -8.816
  808   2HG2  VAL 101          2HG2      VAL 101   5.171  -2.957  -8.666
  809   3HG2  VAL 101          3HG2      VAL 101   3.432  -3.011  -8.303
  810    H    MET 102           H        MET 102   4.219  -0.210  -8.387
  811    HA   MET 102           HA       MET 102   7.092   0.271  -8.942
  812   1HB   MET 102          1HB       MET 102   4.971   2.449  -8.645
  813   2HB   MET 102          2HB       MET 102   6.681   2.738  -8.303
  814   1HG   MET 102          1HG       MET 102   7.299   2.021 -10.562
  815   2HG   MET 102          2HG       MET 102   5.603   1.747 -10.958
  816   1HE   MET 102          1HE       MET 102   3.803   3.823 -10.324
  817   2HE   MET 102          2HE       MET 102   4.036   5.089 -11.556
  818   3HE   MET 102          3HE       MET 102   4.097   3.372 -12.016
  819    H    LEU 103           H        LEU 103   8.215   1.137  -7.050
  820    HA   LEU 103           HA       LEU 103   7.393  -0.111  -4.593
  821   1HB   LEU 103          1HB       LEU 103   9.802   0.448  -5.437
  822   2HB   LEU 103          2HB       LEU 103   9.452   2.109  -4.996
  823    HG   LEU 103           HG       LEU 103   8.948   1.224  -2.615
  824   1HD1  LEU 103          1HD1      LEU 103  10.057  -0.928  -2.048
  825   2HD1  LEU 103          2HD1      LEU 103   8.698  -1.174  -3.150
  826   3HD1  LEU 103          3HD1      LEU 103  10.358  -1.227  -3.772
  827   1HD2  LEU 103          1HD2      LEU 103  11.730   1.042  -3.836
  828   2HD2  LEU 103          2HD2      LEU 103  10.951   2.465  -3.115
  829   3HD2  LEU 103          3HD2      LEU 103  11.395   1.099  -2.089
  830    H    PHE 104           H        PHE 104   6.102   0.784  -2.947
  831    HA   PHE 104           HA       PHE 104   4.825   3.231  -3.346
  832   1HB   PHE 104          1HB       PHE 104   4.045   1.356  -1.871
  833   2HB   PHE 104          2HB       PHE 104   5.263   1.813  -0.685
  834    HD1  PHE 104           HD1      PHE 104   3.820   2.386   1.156
  835    HD2  PHE 104           HD2      PHE 104   3.081   4.130  -2.716
  836    HE1  PHE 104           HE1      PHE 104   2.018   3.816   2.111
  837    HE2  PHE 104           HE2      PHE 104   1.350   5.552  -1.767
  838    HZ   PHE 104           HZ       PHE 104   0.700   5.310   0.604
  839    H    GLY 105           H        GLY 105   7.764   2.517  -1.463
  840   1HA   GLY 105          1HA       GLY 105   8.010   5.253  -0.476
  841   2HA   GLY 105          2HA       GLY 105   9.134   3.917  -0.222
  842    H    HIS 106           H        HIS 106   8.174   4.605  -3.547
  843    HA   HIS 106           HA       HIS 106  10.757   4.831  -4.522
  844   1HB   HIS 106          1HB       HIS 106   9.002   4.334  -5.989
  845   2HB   HIS 106          2HB       HIS 106   8.097   5.789  -5.556
  846    HD1  HIS 106           HD1      HIS 106  11.359   4.873  -7.536
  847    HD2  HIS 106           HD2      HIS 106   8.449   7.902  -7.038
  848    HE1  HIS 106           HE1      HIS 106  11.814   6.616  -9.317
  849    H    TRP 107           H        TRP 107   8.545   7.554  -3.642
  850    HA   TRP 107           HA       TRP 107  10.295   9.609  -4.471
  851   1HB   TRP 107          1HB       TRP 107   8.325   9.822  -2.187
  852   2HB   TRP 107          2HB       TRP 107   8.807  11.078  -3.321
  853    HD1  TRP 107           HD1      TRP 107   6.297   8.377  -2.724
  854    HE1  TRP 107           HE1      TRP 107   4.636   8.190  -4.627
  855    HE3  TRP 107           HE3      TRP 107   8.619  11.438  -6.130
  856    HZ2  TRP 107           HZ2      TRP 107   4.274   9.292  -7.286
  857    HZ3  TRP 107           HZ3      TRP 107   7.562  11.868  -8.334
  858    HH2  TRP 107           HH2      TRP 107   5.368  10.824  -8.902
  859    H    ASP 108           H        ASP 108  10.262   7.663  -1.537
  860    HA   ASP 108           HA       ASP 108  12.033   9.544  -0.081
  861   1HB   ASP 108          1HB       ASP 108  10.035   8.404   1.022
  862   2HB   ASP 108          2HB       ASP 108  10.898   6.880   0.867
  863    H    ASN 109           H        ASN 109  13.340   9.095  -2.148
  864    HA   ASN 109           HA       ASN 109  15.159   8.140  -3.145
  865   1HB   ASN 109          1HB       ASN 109  16.055   9.261  -1.146
  866   2HB   ASN 109          2HB       ASN 109  15.879   7.767  -0.226
  867   1HD2  ASN 109          2HD2      ASN 109  17.988   7.413   0.259
  868   2HD2  ASN 109          1HD2      ASN 109  19.254   7.118  -0.914
  869    H    GLU 110           H        GLU 110  13.054   6.379  -3.193
  870    HA   GLU 110           HA       GLU 110  12.380   4.256  -3.280
  871   1HB   GLU 110          1HB       GLU 110  15.167   3.733  -4.362
  872   2HB   GLU 110          2HB       GLU 110  13.696   2.783  -4.649
  873   1HG   GLU 110          1HG       GLU 110  12.679   5.023  -5.497
  874   2HG   GLU 110          2HG       GLU 110  14.345   5.581  -5.617
  875    H    CYS 111           H        CYS 111  13.023   4.835  -0.693
  876    HA   CYS 111           HA       CYS 111  14.411   2.600   0.539
  877   1HB   CYS 111          1HB       CYS 111  12.450   4.697   1.527
  878   2HB   CYS 111          2HB       CYS 111  13.068   3.396   2.572
  879    HG   CYS 111           HG       CYS 111  14.606   5.797   0.967
  880    H    GLU 112           H        GLU 112  13.679   0.537   0.550
  881    HA   GLU 112           HA       GLU 112  10.891  -0.135   0.058
  882   1HB   GLU 112          1HB       GLU 112  11.523  -2.396   0.512
  883   2HB   GLU 112          2HB       GLU 112  12.693  -1.690  -0.578
  884   1HG   GLU 112          1HG       GLU 112  13.069  -2.149   2.422
  885   2HG   GLU 112          2HG       GLU 112  13.651  -3.207   1.147
  886    H    ILE 113           H        ILE 113   9.576  -1.313   1.663
  887    HA   ILE 113           HA       ILE 113   9.785   0.101   4.272
  888    HB   ILE 113           HB       ILE 113   7.351  -0.718   2.673
  889   1HG1  ILE 113          1HG1      ILE 113   8.839   1.911   2.978
  890   2HG1  ILE 113          2HG1      ILE 113   8.476   1.028   1.504
  891   1HG2  ILE 113          1HG2      ILE 113   7.514   0.918   5.238
  892   2HG2  ILE 113          2HG2      ILE 113   6.049   0.530   4.314
  893   3HG2  ILE 113          3HG2      ILE 113   6.930  -0.759   5.111
  894   1HD1  ILE 113          1HD1      ILE 113   7.089   2.934   1.545
  895   2HD1  ILE 113          2HD1      ILE 113   6.049   1.535   1.830
  896   3HD1  ILE 113          3HD1      ILE 113   6.515   2.598   3.187
  897    HA   PRO 114           HA       PRO 114  10.197  -3.994   6.031
  898   1HB   PRO 114          1HB       PRO 114   9.022  -2.750   8.503
  899   2HB   PRO 114          2HB       PRO 114  10.508  -3.722   8.326
  900   1HG   PRO 114          1HG       PRO 114  10.622  -1.014   8.605
  901   2HG   PRO 114          2HG       PRO 114  11.724  -1.877   7.483
  902   1HD   PRO 114          1HD       PRO 114   9.201  -0.349   6.827
  903   2HD   PRO 114          2HD       PRO 114  10.778  -0.383   5.985
  904    H    ASP 115           H        ASP 115   8.875  -5.512   7.530
  905    HA   ASP 115           HA       ASP 115   5.944  -5.362   7.007
  906   1HB   ASP 115          1HB       ASP 115   6.718  -7.100   5.602
  907   2HB   ASP 115          2HB       ASP 115   7.818  -7.719   6.835
  908    HA   PRO 116           HA       PRO 116   6.765  -5.314  11.440
  909   1HB   PRO 116          1HB       PRO 116   4.546  -4.079  12.341
  910   2HB   PRO 116          2HB       PRO 116   5.745  -3.213  11.344
  911   1HG   PRO 116          1HG       PRO 116   3.148  -4.495  10.438
  912   2HG   PRO 116          2HG       PRO 116   3.752  -2.850  10.067
  913   1HD   PRO 116          1HD       PRO 116   4.091  -5.036   8.399
  914   2HD   PRO 116          2HD       PRO 116   5.249  -3.683   8.451
  915    H    TYR 117           H        TYR 117   4.554  -7.372   9.776
  916    HA   TYR 117           HA       TYR 117   2.796  -8.235  11.740
  917   1HB   TYR 117          1HB       TYR 117   2.478  -8.965   9.514
  918   2HB   TYR 117          2HB       TYR 117   4.129  -9.564   9.388
  919    HD1  TYR 117           HD1      TYR 117   4.495 -11.810   9.440
  920    HD2  TYR 117           HD2      TYR 117   1.081 -10.214  11.523
  921    HE1  TYR 117           HE1      TYR 117   3.865 -14.110  10.136
  922    HE2  TYR 117           HE2      TYR 117   0.453 -12.504  12.264
  923    HH   TYR 117           HH       TYR 117   2.329 -15.417  11.295
  924    H    ARG 118           H        ARG 118   2.873  -9.495  13.472
  925    HA   ARG 118           HA       ARG 118   3.590 -10.709  15.180
  926   1HB   ARG 118          1HB       ARG 118   4.008 -12.226  13.031
  927   2HB   ARG 118          2HB       ARG 118   5.690 -12.123  13.547
  928   1HG   ARG 118          1HG       ARG 118   5.019 -13.046  15.777
  929   2HG   ARG 118          2HG       ARG 118   3.324 -13.059  15.246
  930   1HD   ARG 118          1HD       ARG 118   3.988 -14.610  13.363
  931   2HD   ARG 118          2HD       ARG 118   5.615 -14.663  14.039
  932    HE   ARG 118           HE       ARG 118   4.885 -15.923  15.846
  933   1HH1  ARG 118          1HH2      ARG 118   2.101 -15.164  13.734
  934   2HH1  ARG 118          2HH2      ARG 118   1.031 -16.226  14.568
  935   1HH2  ARG 118          1HH1      ARG 118   3.452 -17.365  16.892
  936   2HH2  ARG 118          2HH1      ARG 118   1.820 -17.527  16.366
  937    H    LYS 119           H        LYS 119   5.061  -8.110  14.564
  938    HA   LYS 119           HA       LYS 119   7.347  -8.605  16.438
  939   1HB   LYS 119          1HB       LYS 119   7.159  -6.548  14.201
  940   2HB   LYS 119          2HB       LYS 119   8.505  -6.723  15.327
  941   1HG   LYS 119          1HG       LYS 119   9.083  -8.906  14.465
  942   2HG   LYS 119          2HG       LYS 119   7.624  -8.978  13.489
  943   1HD   LYS 119          1HD       LYS 119   8.495  -6.904  12.232
  944   2HD   LYS 119          2HD       LYS 119  10.035  -7.209  13.056
  945   1HE   LYS 119          1HE       LYS 119  10.210  -8.326  10.963
  946   2HE   LYS 119          2HE       LYS 119   9.903  -9.603  12.146
  947   1HZ   LYS 119          1HZ       LYS 119   8.513  -9.914  10.227
  948   2HZ   LYS 119          2HZ       LYS 119   7.507  -9.468  11.448
  949   3HZ   LYS 119          3HZ       LYS 119   7.941  -8.381  10.293
  950    H    SER 120           H        SER 120   7.948  -6.376  17.502
  951    HA   SER 120           HA       SER 120   5.839  -5.809  19.273
  952   1HB   SER 120          1HB       SER 120   8.326  -4.140  18.714
  953   2HB   SER 120          2HB       SER 120   7.398  -4.195  20.226
  954    HG   SER 120           HG       SER 120   9.271  -5.518  20.303
  955    H    ARG 121           H        ARG 121   4.713  -3.765  19.705
  956    HA   ARG 121           HA       ARG 121   3.443  -2.714  17.417
  957   1HB   ARG 121          1HB       ARG 121   2.458  -2.828  19.667
  958   2HB   ARG 121          2HB       ARG 121   3.549  -1.557  20.236
  959   1HG   ARG 121          1HG       ARG 121   2.500   0.088  18.803
  960   2HG   ARG 121          2HG       ARG 121   1.593  -1.153  17.933
  961   1HD   ARG 121          1HD       ARG 121   0.307  -1.703  19.948
  962   2HD   ARG 121          2HD       ARG 121   1.225  -0.535  20.896
  963    HE   ARG 121           HE       ARG 121  -0.982  -0.047  19.056
  964   1HH1  ARG 121          2HH2      ARG 121   1.840   1.522  20.661
  965   2HH1  ARG 121          1HH2      ARG 121   1.136   3.120  20.491
  966   1HH2  ARG 121          1HH1      ARG 121  -1.806   2.235  18.971
  967   2HH2  ARG 121          2HH1      ARG 121  -0.767   3.470  19.640
  968    H    GLU 122           H        GLU 122   6.353  -1.497  19.099
  969    HA   GLU 122           HA       GLU 122   6.425   1.025  17.809
  970   1HB   GLU 122          1HB       GLU 122   8.800   1.047  18.330
  971   2HB   GLU 122          2HB       GLU 122   7.840   0.490  19.700
  972   1HG   GLU 122          1HG       GLU 122   8.456  -1.863  19.179
  973   2HG   GLU 122          2HG       GLU 122   9.424  -1.310  17.809
  974    H    THR 123           H        THR 123   7.064  -2.195  16.482
  975    HA   THR 123           HA       THR 123   8.509  -1.253  14.151
  976    HB   THR 123           HB       THR 123   6.823  -3.753  14.077
  977    HG1  THR 123           1HG      THR 123   7.598  -4.064  16.025
  978   1HG2  THR 123          1HG2      THR 123   9.694  -3.138  13.249
  979   2HG2  THR 123          2HG2      THR 123   8.822  -4.656  12.955
  980   3HG2  THR 123          3HG2      THR 123   8.284  -3.161  12.169
  981    H    PHE 124           H        PHE 124   5.056  -1.868  14.989
  982    HA   PHE 124           HA       PHE 124   4.046  -1.273  12.355
  983   1HB   PHE 124          1HB       PHE 124   2.751  -1.256  15.106
  984   2HB   PHE 124          2HB       PHE 124   1.893  -0.848  13.635
  985    HD1  PHE 124           HD1      PHE 124   0.970  -2.531  12.237
  986    HD2  PHE 124           HD2      PHE 124   3.793  -3.626  15.315
  987    HE1  PHE 124           HE1      PHE 124   0.412  -4.931  11.924
  988    HE2  PHE 124           HE2      PHE 124   3.249  -6.008  14.960
  989    HZ   PHE 124           HZ       PHE 124   1.557  -6.669  13.268
  990    H    ALA 125           H        ALA 125   4.770   0.746  15.262
  991    HA   ALA 125           HA       ALA 125   3.743   3.176  14.166
  992   1HB   ALA 125          1HB       ALA 125   6.020   2.813  16.157
  993   2HB   ALA 125          2HB       ALA 125   5.080   4.287  15.873
  994   3HB   ALA 125          3HB       ALA 125   4.286   2.857  16.562
  995    H    ALA 126           H        ALA 126   7.067   1.764  14.006
  996    HA   ALA 126           HA       ALA 126   8.232   3.873  12.493
  997   1HB   ALA 126          1HB       ALA 126   9.932   2.194  11.884
  998   2HB   ALA 126          2HB       ALA 126   9.543   2.103  13.614
  999   3HB   ALA 126          3HB       ALA 126   8.890   0.889  12.488
 1000    H    VAL 127           H        VAL 127   6.623   0.825  11.399
 1001    HA   VAL 127           HA       VAL 127   6.905   1.410   8.625
 1002    HB   VAL 127           HB       VAL 127   5.051  -0.420  10.188
 1003   1HG1  VAL 127          1HG1      VAL 127   4.557  -1.539   7.999
 1004   2HG1  VAL 127          2HG1      VAL 127   3.855   0.072   8.120
 1005   3HG1  VAL 127          3HG1      VAL 127   5.329  -0.179   7.157
 1006   1HG2  VAL 127          1HG2      VAL 127   7.439  -0.940   8.352
 1007   2HG2  VAL 127          2HG2      VAL 127   7.522  -0.938  10.123
 1008   3HG2  VAL 127          3HG2      VAL 127   6.560  -2.155   9.293
 1009    H    TYR 128           H        TYR 128   4.163   2.184  10.923
 1010    HA   TYR 128           HA       TYR 128   2.504   3.385   8.998
 1011   1HB   TYR 128          1HB       TYR 128   1.833   2.932  11.322
 1012   2HB   TYR 128          2HB       TYR 128   2.927   4.180  11.909
 1013    HD1  TYR 128           HD1      TYR 128  -0.403   3.486  10.689
 1014    HD2  TYR 128           HD2      TYR 128   2.517   6.633  11.148
 1015    HE1  TYR 128           HE1      TYR 128  -2.169   5.188  10.332
 1016    HE2  TYR 128           HE2      TYR 128   0.792   8.321  10.715
 1017    HH   TYR 128           HH       TYR 128  -1.487   8.711  10.391
 1018    H    THR 129           H        THR 129   5.265   4.840  10.845
 1019    HA   THR 129           HA       THR 129   4.863   7.477   9.833
 1020    HB   THR 129           HB       THR 129   7.455   6.148  10.747
 1021    HG1  THR 129           1HG      THR 129   5.914   5.884  12.339
 1022   1HG2  THR 129          1HG2      THR 129   7.834   8.371   9.753
 1023   2HG2  THR 129          2HG2      THR 129   6.561   9.069  10.777
 1024   3HG2  THR 129          3HG2      THR 129   8.054   8.435  11.507
 1025    H    LEU 130           H        LEU 130   6.886   4.757   8.608
 1026    HA   LEU 130           HA       LEU 130   7.993   6.240   6.419
 1027   1HB   LEU 130          1HB       LEU 130   9.015   4.281   7.452
 1028   2HB   LEU 130          2HB       LEU 130   7.661   3.264   6.964
 1029    HG   LEU 130           HG       LEU 130   8.267   3.375   4.658
 1030   1HD1  LEU 130          1HD1      LEU 130  10.305   4.598   3.859
 1031   2HD1  LEU 130          2HD1      LEU 130   9.044   5.702   4.391
 1032   3HD1  LEU 130          3HD1      LEU 130  10.436   5.384   5.448
 1033   1HD2  LEU 130          1HD2      LEU 130  10.777   3.029   6.362
 1034   2HD2  LEU 130          2HD2      LEU 130   9.505   1.820   6.150
 1035   3HD2  LEU 130          3HD2      LEU 130  10.492   2.319   4.760
 1036    H    LEU 131           H        LEU 131   5.087   4.180   6.737
 1037    HA   LEU 131           HA       LEU 131   4.305   4.308   3.969
 1038   1HB   LEU 131          1HB       LEU 131   2.706   3.891   6.532
 1039   2HB   LEU 131          2HB       LEU 131   2.006   3.807   4.922
 1040    HG   LEU 131           HG       LEU 131   4.220   1.950   5.899
 1041   1HD1  LEU 131          1HD1      LEU 131   1.236   1.468   5.541
 1042   2HD1  LEU 131          2HD1      LEU 131   2.441   0.254   6.009
 1043   3HD1  LEU 131          3HD1      LEU 131   2.084   1.598   7.104
 1044   1HD2  LEU 131          1HD2      LEU 131   4.277   2.182   3.487
 1045   2HD2  LEU 131          2HD2      LEU 131   3.611   0.612   3.936
 1046   3HD2  LEU 131          3HD2      LEU 131   2.526   1.905   3.388
 1047    H    GLU 132           H        GLU 132   3.694   6.450   6.820
 1048    HA   GLU 132           HA       GLU 132   1.816   8.113   5.476
 1049   1HB   GLU 132          1HB       GLU 132   2.078   8.063   7.918
 1050   2HB   GLU 132          2HB       GLU 132   3.694   8.771   7.785
 1051   1HG   GLU 132          1HG       GLU 132   2.729  10.816   6.783
 1052   2HG   GLU 132          2HG       GLU 132   1.121  10.088   6.829
 1053    H    ARG 133           H        ARG 133   5.418   8.433   5.848
 1054    HA   ARG 133           HA       ARG 133   5.747  10.748   4.248
 1055   1HB   ARG 133          1HB       ARG 133   7.487   8.237   4.409
 1056   2HB   ARG 133          2HB       ARG 133   7.965   9.719   3.581
 1057   1HG   ARG 133          1HG       ARG 133   7.885  10.984   5.659
 1058   2HG   ARG 133          2HG       ARG 133   7.237   9.588   6.524
 1059   1HD   ARG 133          1HD       ARG 133   9.608   9.778   7.023
 1060   2HD   ARG 133          2HD       ARG 133   9.300   8.311   6.100
 1061    HE   ARG 133           HE       ARG 133  10.661   9.037   4.439
 1062   1HH1  ARG 133          1HH2      ARG 133   9.872  11.876   6.449
 1063   2HH1  ARG 133          2HH2      ARG 133  11.032  12.902   5.692
 1064   1HH2  ARG 133          1HH1      ARG 133  12.196  10.393   3.442
 1065   2HH2  ARG 133          2HH1      ARG 133  12.378  12.044   3.945
 1066    H    SER 134           H        SER 134   5.642   7.339   3.187
 1067    HA   SER 134           HA       SER 134   6.013   7.835   0.442
 1068   1HB   SER 134          1HB       SER 134   4.516   5.532   1.768
 1069   2HB   SER 134          2HB       SER 134   5.226   5.537   0.147
 1070    HG   SER 134           HG       SER 134   6.541   5.625   2.674
 1071    H    ALA 135           H        ALA 135   2.947   7.438   2.303
 1072    HA   ALA 135           HA       ALA 135   1.207   7.713   0.072
 1073   1HB   ALA 135          1HB       ALA 135  -0.518   8.128   1.791
 1074   2HB   ALA 135          2HB       ALA 135   0.532   6.787   2.296
 1075   3HB   ALA 135          3HB       ALA 135   0.741   8.394   3.015
 1076    H    ARG 136           H        ARG 136   2.522  10.139   2.413
 1077    HA   ARG 136           HA       ARG 136   0.952  12.316   1.384
 1078   1HB   ARG 136          1HB       ARG 136   2.122  12.189   3.628
 1079   2HB   ARG 136          2HB       ARG 136   3.662  12.428   2.794
 1080   1HG   ARG 136          1HG       ARG 136   2.869  14.628   1.961
 1081   2HG   ARG 136          2HG       ARG 136   1.283  14.347   2.716
 1082   1HD   ARG 136          1HD       ARG 136   2.385  14.224   4.942
 1083   2HD   ARG 136          2HD       ARG 136   3.952  14.556   4.175
 1084    HE   ARG 136           HE       ARG 136   2.203  16.607   3.386
 1085   1HH1  ARG 136          1HH2      ARG 136   3.654  15.450   6.413
 1086   2HH1  ARG 136          2HH2      ARG 136   3.632  16.993   7.182
 1087   1HH2  ARG 136          1HH1      ARG 136   2.173  18.668   4.408
 1088   2HH2  ARG 136          2HH1      ARG 136   2.771  18.862   6.011
 1089    H    GLN 137           H        GLN 137   4.206  11.002   0.530
 1090    HA   GLN 137           HA       GLN 137   4.751  13.107  -1.317
 1091   1HB   GLN 137          1HB       GLN 137   5.960  10.363  -0.886
 1092   2HB   GLN 137          2HB       GLN 137   6.548  11.517  -2.104
 1093   1HG   GLN 137          1HG       GLN 137   7.034  13.192  -0.480
 1094   2HG   GLN 137          2HG       GLN 137   6.265  12.306   0.825
 1095   1HE2  GLN 137          2HE2      GLN 137   9.099  13.342   0.360
 1096   2HE2  GLN 137          1HE2      GLN 137  10.098  11.961   0.761
 1097    H    TRP 138           H        TRP 138   3.269   9.818  -1.794
 1098    HA   TRP 138           HA       TRP 138   2.926  10.122  -4.601
 1099   1HB   TRP 138          1HB       TRP 138   1.568   8.497  -2.466
 1100   2HB   TRP 138          2HB       TRP 138   0.756   8.683  -4.013
 1101    HD1  TRP 138           HD1      TRP 138   3.613   6.816  -2.427
 1102    HE1  TRP 138           HE1      TRP 138   4.762   5.306  -4.122
 1103    HE3  TRP 138           HE3      TRP 138   1.292   8.481  -6.679
 1104    HZ2  TRP 138           HZ2      TRP 138   4.833   4.988  -7.007
 1105    HZ3  TRP 138           HZ3      TRP 138   1.954   7.574  -8.892
 1106    HH2  TRP 138           HH2      TRP 138   3.734   5.859  -9.068
 1107    H    ALA 139           H        ALA 139   0.803  11.242  -1.876
 1108    HA   ALA 139           HA       ALA 139  -1.134  12.450  -3.581
 1109   1HB   ALA 139          1HB       ALA 139  -0.277  13.202  -0.749
 1110   2HB   ALA 139          2HB       ALA 139  -1.762  13.722  -1.560
 1111   3HB   ALA 139          3HB       ALA 139  -1.516  12.003  -1.193
 1112    H    GLN 140           H        GLN 140   1.899  13.790  -2.160
 1113    HA   GLN 140           HA       GLN 140   1.638  16.432  -3.060
 1114   1HB   GLN 140          1HB       GLN 140   3.283  15.598  -1.430
 1115   2HB   GLN 140          2HB       GLN 140   4.158  14.744  -2.693
 1116   1HG   GLN 140          1HG       GLN 140   3.805  17.744  -2.864
 1117   2HG   GLN 140          2HG       GLN 140   4.986  17.031  -1.765
 1118   1HE2  GLN 140          2HE2      GLN 140   4.184  17.360  -5.257
 1119   2HE2  GLN 140          1HE2      GLN 140   5.814  17.011  -5.789
 1120    H    ALA 141           H        ALA 141   2.907  13.530  -4.774
 1121    HA   ALA 141           HA       ALA 141   3.759  14.987  -7.102
 1122   1HB   ALA 141          1HB       ALA 141   3.027  12.043  -6.750
 1123   2HB   ALA 141          2HB       ALA 141   3.890  12.754  -8.128
 1124   3HB   ALA 141          3HB       ALA 141   4.633  12.765  -6.515
 1125    H    LEU 142           H        LEU 142   0.852  12.958  -6.434
 1126    HA   LEU 142           HA       LEU 142  -0.522  13.435  -8.840
 1127   1HB   LEU 142          1HB       LEU 142  -1.465  12.881  -6.005
 1128   2HB   LEU 142          2HB       LEU 142  -2.620  13.094  -7.312
 1129    HG   LEU 142           HG       LEU 142  -0.415  10.986  -7.356
 1130   1HD1  LEU 142          1HD1      LEU 142  -3.374  10.689  -6.671
 1131   2HD1  LEU 142          2HD1      LEU 142  -2.194   9.371  -6.826
 1132   3HD1  LEU 142          3HD1      LEU 142  -2.017  10.557  -5.527
 1133   1HD2  LEU 142          1HD2      LEU 142  -1.922   9.998  -9.143
 1134   2HD2  LEU 142          2HD2      LEU 142  -2.848  11.505  -9.121
 1135   3HD2  LEU 142          3HD2      LEU 142  -1.141  11.504  -9.616
 1136    H    ASN 143           H        ASN 143  -0.552  15.431  -5.868
 1137    HA   ASN 143           HA       ASN 143  -2.472  17.317  -6.663
 1138   1HB   ASN 143          1HB       ASN 143  -1.586  17.094  -4.373
 1139   2HB   ASN 143          2HB       ASN 143  -0.009  17.676  -4.910
 1140   1HD2  ASN 143          2HD2      ASN 143   0.332  19.857  -4.495
 1141   2HD2  ASN 143          1HD2      ASN 143  -0.930  21.053  -4.385
 1142    H    ALA 144           H        ALA 144   0.762  16.906  -7.922
 1143    HA   ALA 144           HA       ALA 144   0.478  19.435  -9.433
 1144   1HB   ALA 144          1HB       ALA 144   2.251  19.649  -7.696
 1145   2HB   ALA 144          2HB       ALA 144   3.068  18.218  -8.373
 1146   3HB   ALA 144          3HB       ALA 144   2.923  19.709  -9.335
 1147    H    GLU 145           H        GLU 145  -0.404  16.736  -9.963
 1148    HA   GLU 145           HA       GLU 145   0.530  16.668 -12.732
 1149   1HB   GLU 145          1HB       GLU 145   1.702  14.883 -11.211
 1150   2HB   GLU 145          2HB       GLU 145   0.130  14.068 -11.180
 1151   1HG   GLU 145          1HG       GLU 145   0.175  13.955 -13.658
 1152   2HG   GLU 145          2HG       GLU 145   1.661  14.901 -13.681
 1153    H    GLN 146           H        GLN 146  -1.662  17.847 -11.338
 1154    HA   GLN 146           HA       GLN 146  -4.085  16.398 -12.013
 1155   1HB   GLN 146          1HB       GLN 146  -3.514  19.324 -11.310
 1156   2HB   GLN 146          2HB       GLN 146  -5.133  18.668 -11.576
 1157   1HG   GLN 146          1HG       GLN 146  -3.203  17.827  -9.367
 1158   2HG   GLN 146          2HG       GLN 146  -4.605  18.863  -9.176
 1159   1HE2  GLN 146          2HE2      GLN 146  -3.505  15.594  -9.170
 1160   2HE2  GLN 146          1HE2      GLN 146  -5.080  14.825  -9.070
 1161    H    VAL 147           H        VAL 147  -5.441  16.912 -13.730
 1162    HA   VAL 147           HA       VAL 147  -4.355  18.244 -16.111
 1163    HB   VAL 147           HB       VAL 147  -4.886  16.052 -17.357
 1164   1HG1  VAL 147          1HG1      VAL 147  -2.443  15.998 -15.535
 1165   2HG1  VAL 147          2HG1      VAL 147  -2.637  15.179 -17.093
 1166   3HG1  VAL 147          3HG1      VAL 147  -2.582  16.947 -17.033
 1167   1HG2  VAL 147          1HG2      VAL 147  -4.585  13.939 -16.148
 1168   2HG2  VAL 147          2HG2      VAL 147  -4.431  14.790 -14.597
 1169   3HG2  VAL 147          3HG2      VAL 147  -5.975  14.809 -15.482
  Start of MODEL    4
    1    H    MET   1           H        MET   1  -6.388  10.365 -15.283
    2    HA   MET   1           HA       MET   1  -4.495  11.072 -13.152
    3   1HB   MET   1          1HB       MET   1  -6.476  12.640 -13.516
    4   2HB   MET   1          2HB       MET   1  -7.536  11.316 -13.050
    5   1HG   MET   1          1HG       MET   1  -5.311  12.498 -11.326
    6   2HG   MET   1          2HG       MET   1  -7.001  12.976 -11.270
    7   1HE   MET   1          1HE       MET   1  -5.722  12.455  -8.638
    8   2HE   MET   1          2HE       MET   1  -7.479  12.668  -8.795
    9   3HE   MET   1          3HE       MET   1  -6.832  11.323  -7.832
   10    H    PHE   2           H        PHE   2  -3.889   9.248 -12.021
   11    HA   PHE   2           HA       PHE   2  -5.252   6.728 -12.560
   12   1HB   PHE   2          1HB       PHE   2  -3.414   5.763 -11.210
   13   2HB   PHE   2          2HB       PHE   2  -2.941   6.582 -12.678
   14    HD1  PHE   2           HD1      PHE   2  -1.745   8.790 -12.615
   15    HD2  PHE   2           HD2      PHE   2  -2.537   6.494  -9.052
   16    HE1  PHE   2           HE1      PHE   2  -0.049  10.110 -11.382
   17    HE2  PHE   2           HE2      PHE   2  -0.810   7.787  -7.836
   18    HZ   PHE   2           HZ       PHE   2   0.425   9.616  -8.991
   19    H    ASN   3           H        ASN   3  -7.258   7.717 -11.580
   20    HA   ASN   3           HA       ASN   3  -7.453   8.258  -8.828
   21   1HB   ASN   3          1HB       ASN   3  -9.125   8.946 -10.532
   22   2HB   ASN   3          2HB       ASN   3  -9.630   7.263 -10.710
   23   1HD2  ASN   3          2HD2      ASN   3  -9.466   9.992  -8.348
   24   2HD2  ASN   3          1HD2      ASN   3 -10.768   9.395  -7.335
   25    H    ASN   4           H        ASN   4  -7.248   5.141 -10.385
   26    HA   ASN   4           HA       ASN   4  -8.403   3.744  -8.003
   27   1HB   ASN   4          1HB       ASN   4  -8.229   3.007 -10.954
   28   2HB   ASN   4          2HB       ASN   4  -8.178   1.780  -9.708
   29   1HD2  ASN   4          2HD2      ASN   4 -10.108   0.760 -10.438
   30   2HD2  ASN   4          1HD2      ASN   4 -11.648   1.503 -10.092
   31    H    ILE   5           H        ILE   5  -6.829   2.811  -6.725
   32    HA   ILE   5           HA       ILE   5  -4.173   2.206  -7.922
   33    HB   ILE   5           HB       ILE   5  -4.612   3.695  -5.320
   34   1HG1  ILE   5          1HG1      ILE   5  -3.712   4.815  -8.003
   35   2HG1  ILE   5          2HG1      ILE   5  -5.231   5.167  -7.175
   36   1HG2  ILE   5          1HG2      ILE   5  -2.172   4.077  -5.299
   37   2HG2  ILE   5          2HG2      ILE   5  -2.527   2.375  -5.290
   38   3HG2  ILE   5          3HG2      ILE   5  -2.011   3.146  -6.806
   39   1HD1  ILE   5          1HD1      ILE   5  -2.489   6.080  -6.321
   40   2HD1  ILE   5          2HD1      ILE   5  -3.902   7.037  -6.799
   41   3HD1  ILE   5          3HD1      ILE   5  -3.931   6.135  -5.271
   42    H    LEU   6           H        LEU   6  -3.024   0.514  -6.790
   43    HA   LEU   6           HA       LEU   6  -4.604  -0.958  -4.721
   44   1HB   LEU   6          1HB       LEU   6  -4.880  -1.746  -7.128
   45   2HB   LEU   6          2HB       LEU   6  -3.196  -2.204  -7.109
   46    HG   LEU   6           HG       LEU   6  -4.880  -4.026  -6.830
   47   1HD1  LEU   6          1HD1      LEU   6  -2.538  -4.337  -6.144
   48   2HD1  LEU   6          2HD1      LEU   6  -2.958  -3.829  -4.491
   49   3HD1  LEU   6          3HD1      LEU   6  -3.679  -5.287  -5.182
   50   1HD2  LEU   6          1HD2      LEU   6  -6.414  -2.757  -5.273
   51   2HD2  LEU   6          2HD2      LEU   6  -6.049  -4.424  -4.795
   52   3HD2  LEU   6          3HD2      LEU   6  -5.244  -3.079  -3.976
   53    H    VAL   7           H        VAL   7  -3.316  -1.424  -2.966
   54    HA   VAL   7           HA       VAL   7  -0.358  -1.374  -3.350
   55    HB   VAL   7           HB       VAL   7  -0.354  -0.986  -0.822
   56   1HG1  VAL   7          1HG1      VAL   7  -0.627   1.477  -1.119
   57   2HG1  VAL   7          2HG1      VAL   7   0.384   0.710  -2.341
   58   3HG1  VAL   7          3HG1      VAL   7  -1.286   1.180  -2.744
   59   1HG2  VAL   7          1HG2      VAL   7  -2.208   0.137   0.191
   60   2HG2  VAL   7          2HG2      VAL   7  -3.140   0.138  -1.310
   61   3HG2  VAL   7          3HG2      VAL   7  -2.824  -1.387  -0.458
   62    H    VAL   8           H        VAL   8   0.881  -3.096  -2.660
   63    HA   VAL   8           HA       VAL   8  -0.661  -5.483  -1.734
   64    HB   VAL   8           HB       VAL   8   1.666  -5.420  -3.674
   65   1HG1  VAL   8          1HG1      VAL   8   1.029  -7.733  -4.183
   66   2HG1  VAL   8          2HG1      VAL   8   1.411  -7.587  -2.476
   67   3HG1  VAL   8          3HG1      VAL   8  -0.291  -7.659  -3.005
   68   1HG2  VAL   8          1HG2      VAL   8  -1.305  -5.696  -4.244
   69   2HG2  VAL   8          2HG2      VAL   8  -0.248  -4.366  -4.782
   70   3HG2  VAL   8          3HG2      VAL   8  -0.019  -5.986  -5.432
   71    H    CYS   9           H        CYS   9   0.174  -6.747  -0.198
   72    HA   CYS   9           HA       CYS   9   2.963  -6.332   0.757
   73   1HB   CYS   9          1HB       CYS   9   1.331  -5.119   2.244
   74   2HB   CYS   9          2HB       CYS   9   0.492  -6.645   2.525
   75    HG   CYS   9           HG       CYS   9   1.807  -6.286   4.662
   76    H    VAL  10           H        VAL  10   3.285  -8.508   2.437
   77    HA   VAL  10           HA       VAL  10   2.778 -10.792   0.667
   78    HB   VAL  10           HB       VAL  10   3.865 -10.753   3.515
   79   1HG1  VAL  10          1HG1      VAL  10   4.771 -12.982   2.925
   80   2HG1  VAL  10          2HG1      VAL  10   3.009 -12.976   2.821
   81   3HG1  VAL  10          3HG1      VAL  10   3.981 -12.895   1.336
   82   1HG2  VAL  10          1HG2      VAL  10   6.093 -11.036   2.430
   83   2HG2  VAL  10          2HG2      VAL  10   5.338 -10.741   0.847
   84   3HG2  VAL  10          3HG2      VAL  10   5.370  -9.467   2.086
   85    H    GLY  11           H        GLY  11   1.768  -9.911   4.058
   86   1HA   GLY  11          1HA       GLY  11  -0.353 -11.938   3.885
   87   2HA   GLY  11          2HA       GLY  11   0.207 -11.075   5.316
   88    H    ASN  12           H        ASN  12  -0.233  -8.563   3.354
   89    HA   ASN  12           HA       ASN  12  -1.771  -6.984   2.953
   90   1HB   ASN  12          1HB       ASN  12  -2.910  -8.771   1.712
   91   2HB   ASN  12          2HB       ASN  12  -3.841  -9.172   3.143
   92   1HD2  ASN  12          2HD2      ASN  12  -4.003  -5.837   3.381
   93   2HD2  ASN  12          1HD2      ASN  12  -5.491  -5.679   2.474
   94    H    ILE  13           H        ILE  13  -2.667  -8.952   5.858
   95    HA   ILE  13           HA       ILE  13  -4.587  -7.212   6.773
   96    HB   ILE  13           HB       ILE  13  -4.412  -8.284   8.930
   97   1HG1  ILE  13          1HG1      ILE  13  -1.842  -9.634   7.988
   98   2HG1  ILE  13          2HG1      ILE  13  -1.886  -8.259   9.093
   99   1HG2  ILE  13          1HG2      ILE  13  -3.914 -10.319   6.726
  100   2HG2  ILE  13          2HG2      ILE  13  -4.859 -10.534   8.212
  101   3HG2  ILE  13          3HG2      ILE  13  -5.438  -9.439   6.963
  102   1HD1  ILE  13          1HD1      ILE  13  -1.690 -10.248  10.417
  103   2HD1  ILE  13          2HD1      ILE  13  -3.320  -9.598  10.663
  104   3HD1  ILE  13          3HD1      ILE  13  -3.075 -11.009   9.616
  105    H    CYS  14           H        CYS  14  -1.596  -5.797   6.481
  106    HA   CYS  14           HA       CYS  14  -2.206  -3.948   8.716
  107   1HB   CYS  14          1HB       CYS  14   0.198  -4.167   9.538
  108   2HB   CYS  14          2HB       CYS  14  -0.921  -5.479   9.938
  109    HG   CYS  14           HG       CYS  14   1.431  -6.490   9.486
  110    H    ARG  15           H        ARG  15   0.530  -4.603   6.413
  111    HA   ARG  15           HA       ARG  15   1.277  -1.843   6.564
  112   1HB   ARG  15          1HB       ARG  15   2.750  -3.859   6.240
  113   2HB   ARG  15          2HB       ARG  15   2.158  -3.970   4.577
  114   1HG   ARG  15          1HG       ARG  15   3.178  -1.843   4.014
  115   2HG   ARG  15          2HG       ARG  15   3.535  -1.511   5.706
  116   1HD   ARG  15          1HD       ARG  15   5.538  -2.236   4.416
  117   2HD   ARG  15          2HD       ARG  15   5.195  -3.194   5.853
  118    HE   ARG  15           HE       ARG  15   3.961  -4.616   3.833
  119   1HH1  ARG  15          1HH1      ARG  15   7.331  -3.618   4.561
  120   2HH1  ARG  15          2HH1      ARG  15   7.986  -4.936   3.606
  121   1HH2  ARG  15          1HH2      ARG  15   5.017  -6.374   2.649
  122   2HH2  ARG  15          2HH2      ARG  15   6.763  -6.393   2.584
  123    H    SER  16           H        SER  16  -0.200  -3.711   3.802
  124    HA   SER  16           HA       SER  16  -0.383  -1.391   2.150
  125   1HB   SER  16          1HB       SER  16  -2.208  -2.979   1.048
  126   2HB   SER  16          2HB       SER  16  -0.477  -3.155   0.824
  127    HG   SER  16           HG       SER  16  -1.533  -5.135   1.351
  128    HA   PRO  17           HA       PRO  17  -4.970  -0.976   3.833
  129   1HB   PRO  17          1HB       PRO  17  -4.294  -1.891   6.642
  130   2HB   PRO  17          2HB       PRO  17  -5.889  -1.853   5.822
  131   1HG   PRO  17          1HG       PRO  17  -4.486  -4.159   5.956
  132   2HG   PRO  17          2HG       PRO  17  -5.279  -3.687   4.419
  133   1HD   PRO  17          1HD       PRO  17  -2.380  -3.490   5.128
  134   2HD   PRO  17          2HD       PRO  17  -3.164  -3.906   3.575
  135    H    THR  18           H        THR  18  -2.016  -0.493   5.837
  136    HA   THR  18           HA       THR  18  -2.932   1.969   7.027
  137    HB   THR  18           HB       THR  18  -0.117   0.875   6.618
  138    HG1  THR  18           1HG      THR  18  -1.264  -0.527   7.875
  139   1HG2  THR  18          1HG2      THR  18   0.426   2.322   8.588
  140   2HG2  THR  18          2HG2      THR  18  -0.013   3.257   7.154
  141   3HG2  THR  18          3HG2      THR  18  -1.196   3.050   8.462
  142    H    ALA  19           H        ALA  19  -0.915   1.182   4.103
  143    HA   ALA  19           HA       ALA  19  -0.541   3.905   3.293
  144   1HB   ALA  19          1HB       ALA  19   0.822   2.155   2.310
  145   2HB   ALA  19          2HB       ALA  19  -0.609   1.309   1.685
  146   3HB   ALA  19          3HB       ALA  19  -0.176   2.891   1.033
  147    H    GLU  20           H        GLU  20  -3.029   1.451   2.431
  148    HA   GLU  20           HA       GLU  20  -4.453   2.946   0.546
  149   1HB   GLU  20          1HB       GLU  20  -4.779   0.611   0.850
  150   2HB   GLU  20          2HB       GLU  20  -5.252   0.788   2.531
  151   1HG   GLU  20          1HG       GLU  20  -6.970   2.180   0.513
  152   2HG   GLU  20          2HG       GLU  20  -6.963   0.422   0.473
  153    H    ARG  21           H        ARG  21  -5.127   2.698   4.096
  154    HA   ARG  21           HA       ARG  21  -7.189   4.663   3.975
  155   1HB   ARG  21          1HB       ARG  21  -5.499   3.505   6.222
  156   2HB   ARG  21          2HB       ARG  21  -6.684   4.761   6.517
  157   1HG   ARG  21          1HG       ARG  21  -7.365   2.075   5.245
  158   2HG   ARG  21          2HG       ARG  21  -7.561   2.485   6.945
  159   1HD   ARG  21          1HD       ARG  21  -9.010   4.471   6.149
  160   2HD   ARG  21          2HD       ARG  21  -9.102   3.650   4.595
  161    HE   ARG  21           HE       ARG  21 -10.170   2.787   7.230
  162   1HH1  ARG  21          1HH2      ARG  21  -9.619   1.772   3.842
  163   2HH1  ARG  21          2HH2      ARG  21 -10.938   0.654   3.844
  164   1HH2  ARG  21          1HH1      ARG  21 -11.919   1.330   7.192
  165   2HH2  ARG  21          2HH1      ARG  21 -12.248   0.365   5.800
  166    H    LEU  22           H        LEU  22  -3.650   5.034   4.527
  167    HA   LEU  22           HA       LEU  22  -3.761   7.796   5.255
  168   1HB   LEU  22          1HB       LEU  22  -1.675   6.053   3.918
  169   2HB   LEU  22          2HB       LEU  22  -1.425   7.783   4.071
  170    HG   LEU  22           HG       LEU  22  -2.078   6.115   6.521
  171   1HD1  LEU  22          1HD1      LEU  22   0.640   6.638   5.250
  172   2HD1  LEU  22          2HD1      LEU  22   0.403   6.034   6.910
  173   3HD1  LEU  22          3HD1      LEU  22  -0.124   5.071   5.523
  174   1HD2  LEU  22          1HD2      LEU  22  -0.874   7.963   7.661
  175   2HD2  LEU  22          2HD2      LEU  22  -0.633   8.780   6.105
  176   3HD2  LEU  22          3HD2      LEU  22  -2.269   8.569   6.761
  177    H    LEU  23           H        LEU  23  -3.536   6.223   1.990
  178    HA   LEU  23           HA       LEU  23  -3.541   8.724   0.593
  179   1HB   LEU  23          1HB       LEU  23  -4.093   5.853  -0.180
  180   2HB   LEU  23          2HB       LEU  23  -4.682   7.122  -1.217
  181    HG   LEU  23           HG       LEU  23  -2.668   6.427  -2.153
  182   1HD1  LEU  23          1HD1      LEU  23  -1.867   8.998  -0.746
  183   2HD1  LEU  23          2HD1      LEU  23  -1.389   8.409  -2.339
  184   3HD1  LEU  23          3HD1      LEU  23  -3.056   8.923  -2.071
  185   1HD2  LEU  23          1HD2      LEU  23  -1.608   5.275  -0.324
  186   2HD2  LEU  23          2HD2      LEU  23  -0.490   6.483  -0.979
  187   3HD2  LEU  23          3HD2      LEU  23  -1.354   6.792   0.548
  188    H    GLN  24           H        GLN  24  -6.267   6.615   1.671
  189    HA   GLN  24           HA       GLN  24  -8.291   8.195   0.412
  190   1HB   GLN  24          1HB       GLN  24  -8.422   6.475   2.931
  191   2HB   GLN  24          2HB       GLN  24  -9.812   7.188   2.126
  192   1HG   GLN  24          1HG       GLN  24  -7.978   5.046   0.983
  193   2HG   GLN  24          2HG       GLN  24  -9.638   4.855   1.517
  194   1HE2  GLN  24          2HE2      GLN  24 -11.272   6.385   0.289
  195   2HE2  GLN  24          1HE2      GLN  24 -10.955   6.593  -1.439
  196    H    ARG  25           H        ARG  25  -6.629   8.529   3.590
  197    HA   ARG  25           HA       ARG  25  -8.253  10.614   4.586
  198   1HB   ARG  25          1HB       ARG  25  -6.465   9.209   5.787
  199   2HB   ARG  25          2HB       ARG  25  -5.262  10.306   5.097
  200   1HG   ARG  25          1HG       ARG  25  -6.463  12.223   6.244
  201   2HG   ARG  25          2HG       ARG  25  -7.541  11.015   6.981
  202   1HD   ARG  25          1HD       ARG  25  -5.371   9.866   7.804
  203   2HD   ARG  25          2HD       ARG  25  -4.544  11.372   7.383
  204    HE   ARG  25           HE       ARG  25  -6.587  12.276   8.923
  205   1HH1  ARG  25          1HH2      ARG  25  -4.113   9.769   9.521
  206   2HH1  ARG  25          2HH2      ARG  25  -4.343   9.821  11.250
  207   1HH2  ARG  25          1HH1      ARG  25  -6.766  12.325  11.253
  208   2HH2  ARG  25          2HH1      ARG  25  -5.776  11.247  12.196
  209    H    TYR  26           H        TYR  26  -5.174  10.766   2.688
  210    HA   TYR  26           HA       TYR  26  -5.175  13.602   2.519
  211   1HB   TYR  26          1HB       TYR  26  -3.867  11.540   0.704
  212   2HB   TYR  26          2HB       TYR  26  -3.552  13.270   0.652
  213    HD1  TYR  26           HD1      TYR  26  -2.115  10.349   1.758
  214    HD2  TYR  26           HD2      TYR  26  -3.134  14.280   3.226
  215    HE1  TYR  26           HE1      TYR  26  -0.466  10.101   3.597
  216    HE2  TYR  26           HE2      TYR  26  -1.502  14.029   5.056
  217    HH   TYR  26           HH       TYR  26   0.016  12.605   6.100
  218    H    HIS  27           H        HIS  27  -6.669  11.157   0.375
  219    HA   HIS  27           HA       HIS  27  -8.048  13.355  -1.093
  220   1HB   HIS  27          1HB       HIS  27  -6.530  11.008  -2.275
  221   2HB   HIS  27          2HB       HIS  27  -7.663  12.024  -3.173
  222    HD1  HIS  27           HD1      HIS  27  -6.875  14.837  -3.016
  223    HD2  HIS  27           HD2      HIS  27  -4.051  11.726  -2.664
  224    HE1  HIS  27           HE1      HIS  27  -4.612  15.841  -3.602
  225    HA   PRO  28           HA       PRO  28 -11.160  10.283   0.410
  226   1HB   PRO  28          1HB       PRO  28 -12.807  12.767  -0.092
  227   2HB   PRO  28          2HB       PRO  28 -12.963  11.559   1.222
  228   1HG   PRO  28          1HG       PRO  28 -11.758  13.937   1.701
  229   2HG   PRO  28          2HG       PRO  28 -11.035  12.426   2.342
  230   1HD   PRO  28          1HD       PRO  28 -10.239  13.986  -0.127
  231   2HD   PRO  28          2HD       PRO  28  -9.203  13.256   1.138
  232    H    GLU  29           H        GLU  29 -10.936  12.319  -2.479
  233    HA   GLU  29           HA       GLU  29 -13.132  11.059  -3.916
  234   1HB   GLU  29          1HB       GLU  29 -10.783  12.743  -4.903
  235   2HB   GLU  29          2HB       GLU  29 -12.228  12.351  -5.833
  236   1HG   GLU  29          1HG       GLU  29 -12.121  14.068  -3.319
  237   2HG   GLU  29          2HG       GLU  29 -12.296  14.637  -4.970
  238    H    LEU  30           H        LEU  30 -10.056   9.915  -3.059
  239    HA   LEU  30           HA       LEU  30  -9.377   8.688  -5.628
  240   1HB   LEU  30          1HB       LEU  30  -7.844   9.836  -3.866
  241   2HB   LEU  30          2HB       LEU  30  -8.000   8.340  -2.947
  242    HG   LEU  30           HG       LEU  30  -6.928   7.130  -4.878
  243   1HD1  LEU  30          1HD1      LEU  30  -5.816   8.489  -6.642
  244   2HD1  LEU  30          2HD1      LEU  30  -7.566   8.690  -6.718
  245   3HD1  LEU  30          3HD1      LEU  30  -6.572   9.961  -5.990
  246   1HD2  LEU  30          1HD2      LEU  30  -5.412   9.579  -3.840
  247   2HD2  LEU  30          2HD2      LEU  30  -5.639   8.072  -2.951
  248   3HD2  LEU  30          3HD2      LEU  30  -4.680   8.082  -4.440
  249    H    LYS  31           H        LYS  31  -8.932   6.359  -5.779
  250    HA   LYS  31           HA       LYS  31 -10.585   4.707  -3.909
  251   1HB   LYS  31          1HB       LYS  31 -11.671   5.162  -6.117
  252   2HB   LYS  31          2HB       LYS  31 -10.267   4.495  -6.928
  253   1HG   LYS  31          1HG       LYS  31 -12.120   2.889  -6.870
  254   2HG   LYS  31          2HG       LYS  31 -10.716   2.266  -6.021
  255   1HD   LYS  31          1HD       LYS  31 -12.783   1.716  -4.849
  256   2HD   LYS  31          2HD       LYS  31 -11.764   2.748  -3.844
  257   1HE   LYS  31          1HE       LYS  31 -13.139   4.725  -4.469
  258   2HE   LYS  31          2HE       LYS  31 -14.119   3.714  -5.538
  259   1HZ   LYS  31          1HZ       LYS  31 -14.855   2.473  -3.589
  260   2HZ   LYS  31          2HZ       LYS  31 -13.947   3.401  -2.594
  261   3HZ   LYS  31          3HZ       LYS  31 -15.197   4.053  -3.410
  262    H    VAL  32           H        VAL  32  -8.597   4.427  -2.725
  263    HA   VAL  32           HA       VAL  32  -6.620   2.687  -4.072
  264    HB   VAL  32           HB       VAL  32  -6.384   3.904  -1.304
  265   1HG1  VAL  32          1HG1      VAL  32  -3.960   3.426  -1.677
  266   2HG1  VAL  32          2HG1      VAL  32  -4.933   1.951  -1.683
  267   3HG1  VAL  32          3HG1      VAL  32  -4.358   2.635  -3.214
  268   1HG2  VAL  32          1HG2      VAL  32  -5.741   5.027  -4.043
  269   2HG2  VAL  32          2HG2      VAL  32  -6.381   5.832  -2.609
  270   3HG2  VAL  32          3HG2      VAL  32  -4.667   5.389  -2.695
  271    H    GLU  33           H        GLU  33  -6.355   0.581  -3.435
  272    HA   GLU  33           HA       GLU  33  -8.016  -0.486  -1.215
  273   1HB   GLU  33          1HB       GLU  33  -9.314  -0.658  -3.315
  274   2HB   GLU  33          2HB       GLU  33  -7.972  -1.489  -4.093
  275   1HG   GLU  33          1HG       GLU  33  -9.788  -3.010  -3.429
  276   2HG   GLU  33          2HG       GLU  33  -8.279  -3.435  -2.657
  277    H    SER  34           H        SER  34  -7.232  -2.841  -0.772
  278    HA   SER  34           HA       SER  34  -4.307  -3.052  -1.313
  279   1HB   SER  34          1HB       SER  34  -5.705  -3.956   1.203
  280   2HB   SER  34          2HB       SER  34  -3.989  -3.993   0.884
  281    HG   SER  34           HG       SER  34  -5.554  -1.613   0.970
  282    H    ALA  35           H        ALA  35  -3.410  -5.145  -1.304
  283    HA   ALA  35           HA       ALA  35  -5.145  -7.490  -1.103
  284   1HB   ALA  35          1HB       ALA  35  -3.473  -7.027  -3.610
  285   2HB   ALA  35          2HB       ALA  35  -4.506  -8.426  -3.247
  286   3HB   ALA  35          3HB       ALA  35  -5.247  -6.850  -3.547
  287    H    GLY  36           H        GLY  36  -3.433  -9.507  -1.472
  288   1HA   GLY  36          1HA       GLY  36  -0.688  -8.663  -1.039
  289   2HA   GLY  36          2HA       GLY  36  -1.360  -9.615   0.282
  290    H    LEU  37           H        LEU  37   0.918 -10.333  -1.106
  291    HA   LEU  37           HA       LEU  37   0.512 -12.004  -3.392
  292   1HB   LEU  37          1HB       LEU  37   2.722 -12.150  -1.300
  293   2HB   LEU  37          2HB       LEU  37   2.765 -12.851  -2.910
  294    HG   LEU  37           HG       LEU  37   2.722  -9.873  -2.261
  295   1HD1  LEU  37          1HD1      LEU  37   4.855 -10.982  -1.736
  296   2HD1  LEU  37          2HD1      LEU  37   4.927 -11.652  -3.382
  297   3HD1  LEU  37          3HD1      LEU  37   5.020  -9.895  -3.120
  298   1HD2  LEU  37          1HD2      LEU  37   3.199  -9.550  -4.691
  299   2HD2  LEU  37          2HD2      LEU  37   2.881 -11.278  -4.964
  300   3HD2  LEU  37          3HD2      LEU  37   1.590 -10.199  -4.386
  301    H    GLY  38           H        GLY  38   0.432 -12.650   0.095
  302   1HA   GLY  38          1HA       GLY  38  -0.766 -15.332  -0.391
  303   2HA   GLY  38          2HA       GLY  38   0.645 -15.181   0.689
  304    H    ALA  39           H        ALA  39  -2.329 -13.304  -0.021
  305    HA   ALA  39           HA       ALA  39  -2.368 -12.066   2.563
  306   1HB   ALA  39          1HB       ALA  39  -3.305 -11.089   0.436
  307   2HB   ALA  39          2HB       ALA  39  -4.606 -12.305   0.539
  308   3HB   ALA  39          3HB       ALA  39  -4.454 -11.058   1.782
  309    H    LEU  40           H        LEU  40  -4.385 -12.001   3.873
  310    HA   LEU  40           HA       LEU  40  -5.352 -14.765   4.486
  311   1HB   LEU  40          1HB       LEU  40  -4.902 -12.337   6.246
  312   2HB   LEU  40          2HB       LEU  40  -5.566 -13.871   6.799
  313    HG   LEU  40           HG       LEU  40  -2.758 -13.504   5.651
  314   1HD1  LEU  40          1HD1      LEU  40  -2.976 -12.389   7.795
  315   2HD1  LEU  40          2HD1      LEU  40  -3.682 -13.847   8.531
  316   3HD1  LEU  40          3HD1      LEU  40  -1.993 -13.846   7.970
  317   1HD2  LEU  40          1HD2      LEU  40  -4.052 -15.929   6.983
  318   2HD2  LEU  40          2HD2      LEU  40  -3.559 -15.799   5.276
  319   3HD2  LEU  40          3HD2      LEU  40  -2.338 -15.780   6.544
  320    H    VAL  41           H        VAL  41  -6.912 -14.412   2.794
  321    HA   VAL  41           HA       VAL  41  -8.604 -12.354   2.410
  322    HB   VAL  41           HB       VAL  41  -9.534 -15.240   2.257
  323   1HG1  VAL  41          1HG1      VAL  41 -10.795 -14.427   0.290
  324   2HG1  VAL  41          2HG1      VAL  41 -11.261 -13.543   1.744
  325   3HG1  VAL  41          3HG1      VAL  41 -10.181 -12.782   0.558
  326   1HG2  VAL  41          1HG2      VAL  41  -7.359 -15.252   1.194
  327   2HG2  VAL  41          2HG2      VAL  41  -8.581 -15.235  -0.067
  328   3HG2  VAL  41          3HG2      VAL  41  -7.710 -13.741   0.329
  329    H    GLY  42           H        GLY  42 -10.028 -11.227   3.587
  330   1HA   GLY  42          1HA       GLY  42 -11.779 -10.747   4.939
  331   2HA   GLY  42          2HA       GLY  42 -12.147 -12.471   4.989
  332    H    LYS  43           H        LYS  43  -8.961 -11.897   6.297
  333    HA   LYS  43           HA       LYS  43  -9.971 -12.618   8.925
  334   1HB   LYS  43          1HB       LYS  43  -7.250 -12.229   7.697
  335   2HB   LYS  43          2HB       LYS  43  -7.364 -12.081   9.436
  336   1HG   LYS  43          1HG       LYS  43  -6.813 -14.372   8.818
  337   2HG   LYS  43          2HG       LYS  43  -8.347 -14.274   9.689
  338   1HD   LYS  43          1HD       LYS  43  -9.578 -14.397   7.539
  339   2HD   LYS  43          2HD       LYS  43  -8.056 -14.535   6.668
  340   1HE   LYS  43          1HE       LYS  43  -9.150 -16.485   8.763
  341   2HE   LYS  43          2HE       LYS  43  -9.271 -16.708   7.019
  342   1HZ   LYS  43          1HZ       LYS  43  -6.733 -16.651   8.548
  343   2HZ   LYS  43          2HZ       LYS  43  -7.453 -17.973   7.938
  344   3HZ   LYS  43          3HZ       LYS  43  -6.855 -16.858   6.920
  345    H    GLY  44           H        GLY  44  -9.899  -9.541   7.533
  346   1HA   GLY  44          1HA       GLY  44 -10.234  -7.490   8.526
  347   2HA   GLY  44          2HA       GLY  44 -10.079  -8.220  10.126
  348    H    ALA  45           H        ALA  45  -8.843  -5.929   9.871
  349    HA   ALA  45           HA       ALA  45  -6.055  -6.206   9.035
  350   1HB   ALA  45          1HB       ALA  45  -7.109  -4.016   8.812
  351   2HB   ALA  45          2HB       ALA  45  -7.495  -3.986  10.544
  352   3HB   ALA  45          3HB       ALA  45  -5.804  -3.934  10.008
  353    H    ASP  46           H        ASP  46  -4.274  -5.981  10.552
  354    HA   ASP  46           HA       ASP  46  -4.504  -7.748  12.803
  355   1HB   ASP  46          1HB       ASP  46  -2.454  -7.479  11.415
  356   2HB   ASP  46          2HB       ASP  46  -2.243  -5.853  12.062
  357    HA   PRO  47           HA       PRO  47  -5.950  -4.727  15.814
  358   1HB   PRO  47          1HB       PRO  47  -4.286  -6.402  17.701
  359   2HB   PRO  47          2HB       PRO  47  -5.934  -5.738  17.940
  360   1HG   PRO  47          1HG       PRO  47  -5.607  -8.332  17.233
  361   2HG   PRO  47          2HG       PRO  47  -6.875  -7.343  16.436
  362   1HD   PRO  47          1HD       PRO  47  -4.141  -8.093  15.389
  363   2HD   PRO  47          2HD       PRO  47  -5.717  -8.042  14.538
  364    H    THR  48           H        THR  48  -2.461  -5.458  15.487
  365    HA   THR  48           HA       THR  48  -1.648  -3.278  17.251
  366    HB   THR  48           HB       THR  48   0.163  -4.503  15.178
  367    HG1  THR  48           1HG      THR  48  -0.813  -6.262  15.818
  368   1HG2  THR  48          1HG2      THR  48   1.090  -2.850  16.714
  369   2HG2  THR  48          2HG2      THR  48   0.525  -3.781  18.121
  370   3HG2  THR  48          3HG2      THR  48   1.790  -4.440  17.058
  371    H    ALA  49           H        ALA  49  -2.070  -3.870  13.734
  372    HA   ALA  49           HA       ALA  49  -1.023  -1.339  12.864
  373   1HB   ALA  49          1HB       ALA  49  -3.080  -3.183  11.555
  374   2HB   ALA  49          2HB       ALA  49  -2.123  -1.913  10.752
  375   3HB   ALA  49          3HB       ALA  49  -1.323  -3.351  11.412
  376    H    ILE  50           H        ILE  50  -4.329  -2.539  13.663
  377    HA   ILE  50           HA       ILE  50  -5.705  -0.101  13.170
  378    HB   ILE  50           HB       ILE  50  -6.279  -2.301  15.184
  379   1HG1  ILE  50          1HG1      ILE  50  -7.563  -1.870  12.445
  380   2HG1  ILE  50          2HG1      ILE  50  -6.208  -2.959  12.694
  381   1HG2  ILE  50          1HG2      ILE  50  -8.168  -0.143  14.121
  382   2HG2  ILE  50          2HG2      ILE  50  -8.626  -1.474  15.204
  383   3HG2  ILE  50          3HG2      ILE  50  -7.529  -0.237  15.774
  384   1HD1  ILE  50          1HD1      ILE  50  -7.559  -4.289  14.311
  385   2HD1  ILE  50          2HD1      ILE  50  -8.962  -3.257  13.957
  386   3HD1  ILE  50          3HD1      ILE  50  -8.252  -4.247  12.685
  387    H    SER  51           H        SER  51  -4.122  -1.319  16.206
  388    HA   SER  51           HA       SER  51  -4.898   0.911  17.775
  389   1HB   SER  51          1HB       SER  51  -2.494  -0.932  18.117
  390   2HB   SER  51          2HB       SER  51  -3.196   0.122  19.360
  391    HG   SER  51           HG       SER  51  -4.348  -2.138  18.088
  392    H    VAL  52           H        VAL  52  -1.860   0.371  15.870
  393    HA   VAL  52           HA       VAL  52  -0.705   2.886  16.654
  394    HB   VAL  52           HB       VAL  52  -0.210   0.954  14.362
  395   1HG1  VAL  52          1HG1      VAL  52   0.476   3.185  13.543
  396   2HG1  VAL  52          2HG1      VAL  52   1.429   3.441  15.020
  397   3HG1  VAL  52          3HG1      VAL  52   1.864   2.155  13.866
  398   1HG2  VAL  52          1HG2      VAL  52   0.440   0.195  16.631
  399   2HG2  VAL  52          2HG2      VAL  52   1.889   0.552  15.684
  400   3HG2  VAL  52          3HG2      VAL  52   1.334   1.706  16.897
  401    H    ALA  53           H        ALA  53  -2.923   1.963  13.929
  402    HA   ALA  53           HA       ALA  53  -2.823   4.558  12.723
  403   1HB   ALA  53          1HB       ALA  53  -5.064   2.497  12.705
  404   2HB   ALA  53          2HB       ALA  53  -4.875   3.856  11.584
  405   3HB   ALA  53          3HB       ALA  53  -3.683   2.546  11.580
  406    H    ALA  54           H        ALA  54  -4.878   3.181  15.344
  407    HA   ALA  54           HA       ALA  54  -6.573   5.437  15.607
  408   1HB   ALA  54          1HB       ALA  54  -7.142   4.472  17.797
  409   2HB   ALA  54          2HB       ALA  54  -7.078   3.206  16.555
  410   3HB   ALA  54          3HB       ALA  54  -5.739   3.391  17.713
  411    H    GLU  55           H        GLU  55  -3.302   4.786  16.952
  412    HA   GLU  55           HA       GLU  55  -3.194   6.970  18.735
  413   1HB   GLU  55          1HB       GLU  55  -1.535   5.044  18.367
  414   2HB   GLU  55          2HB       GLU  55  -0.861   6.006  17.042
  415   1HG   GLU  55          1HG       GLU  55  -0.408   7.862  18.639
  416   2HG   GLU  55          2HG       GLU  55  -1.066   6.880  19.952
  417    H    HIS  56           H        HIS  56  -3.222   6.933  15.241
  418    HA   HIS  56           HA       HIS  56  -2.734   9.872  15.123
  419   1HB   HIS  56          1HB       HIS  56  -2.435   7.757  12.958
  420   2HB   HIS  56          2HB       HIS  56  -2.116   9.484  12.773
  421    HD1  HIS  56           HD1      HIS  56  -0.001  10.411  14.482
  422    HD2  HIS  56           HD2      HIS  56  -0.400   6.295  13.699
  423    HE1  HIS  56           HE1      HIS  56   2.216   9.342  15.125
  424    H    GLN  57           H        GLN  57  -5.228   8.072  15.693
  425    HA   GLN  57           HA       GLN  57  -7.401   7.916  15.139
  426   1HB   GLN  57          1HB       GLN  57  -7.028  10.906  14.614
  427   2HB   GLN  57          2HB       GLN  57  -8.558  10.086  14.916
  428   1HG   GLN  57          1HG       GLN  57  -8.021  11.054  16.971
  429   2HG   GLN  57          2HG       GLN  57  -7.652   9.349  17.168
  430   1HE2  GLN  57          2HE2      GLN  57  -5.581   8.841  17.933
  431   2HE2  GLN  57          1HE2      GLN  57  -4.232   9.951  17.957
  432    H    LEU  58           H        LEU  58  -6.059   6.806  13.201
  433    HA   LEU  58           HA       LEU  58  -7.895   7.363  10.918
  434   1HB   LEU  58          1HB       LEU  58  -5.080   7.284  10.752
  435   2HB   LEU  58          2HB       LEU  58  -5.563   5.654  10.307
  436    HG   LEU  58           HG       LEU  58  -6.433   8.262   9.011
  437   1HD1  LEU  58          1HD1      LEU  58  -5.261   7.375   7.049
  438   2HD1  LEU  58          2HD1      LEU  58  -4.165   7.408   8.441
  439   3HD1  LEU  58          3HD1      LEU  58  -4.879   5.874   7.920
  440   1HD2  LEU  58          1HD2      LEU  58  -8.409   6.915   8.851
  441   2HD2  LEU  58          2HD2      LEU  58  -7.598   6.811   7.302
  442   3HD2  LEU  58          3HD2      LEU  58  -7.463   5.457   8.454
  443    H    SER  59           H        SER  59  -8.873   5.348  10.091
  444    HA   SER  59           HA       SER  59  -8.931   3.279  12.226
  445   1HB   SER  59          1HB       SER  59 -11.222   4.323  10.526
  446   2HB   SER  59          2HB       SER  59 -11.332   3.155  11.853
  447    HG   SER  59           HG       SER  59 -10.718   4.770  13.290
  448    H    LEU  60           H        LEU  60  -7.806   1.552  11.329
  449    HA   LEU  60           HA       LEU  60  -8.392   0.671   8.545
  450   1HB   LEU  60          1HB       LEU  60  -6.696  -0.900  10.470
  451   2HB   LEU  60          2HB       LEU  60  -6.606  -0.815   8.723
  452    HG   LEU  60           HG       LEU  60  -5.606   1.215  10.739
  453   1HD1  LEU  60          1HD1      LEU  60  -3.393   0.537   9.984
  454   2HD1  LEU  60          2HD1      LEU  60  -4.309  -0.879  10.517
  455   3HD1  LEU  60          3HD1      LEU  60  -4.098  -0.562   8.782
  456   1HD2  LEU  60          1HD2      LEU  60  -6.289   2.499   8.799
  457   2HD2  LEU  60          2HD2      LEU  60  -4.531   2.387   8.815
  458   3HD2  LEU  60          3HD2      LEU  60  -5.464   1.359   7.703
  459    H    GLU  61           H        GLU  61 -10.114   0.537  11.258
  460    HA   GLU  61           HA       GLU  61 -10.169  -2.013  12.287
  461   1HB   GLU  61          1HB       GLU  61 -11.177   0.047  13.231
  462   2HB   GLU  61          2HB       GLU  61 -12.504  -0.079  12.068
  463   1HG   GLU  61          1HG       GLU  61 -13.168  -2.252  13.055
  464   2HG   GLU  61          2HG       GLU  61 -11.786  -2.191  14.153
  465    H    GLY  62           H        GLY  62 -12.061  -0.935   9.404
  466   1HA   GLY  62          1HA       GLY  62 -13.247  -3.658   9.255
  467   2HA   GLY  62          2HA       GLY  62 -13.974  -2.166   8.664
  468    H    HIS  63           H        HIS  63 -10.518  -2.762   8.076
  469    HA   HIS  63           HA       HIS  63 -10.899  -2.835   5.194
  470   1HB   HIS  63          1HB       HIS  63  -8.814  -1.954   6.236
  471   2HB   HIS  63          2HB       HIS  63  -8.466  -3.564   6.881
  472    HD1  HIS  63           HD1      HIS  63  -8.368  -1.607   3.536
  473    HD2  HIS  63           HD2      HIS  63  -7.729  -5.486   5.093
  474    HE1  HIS  63           HE1      HIS  63  -7.572  -3.026   1.628
  475    H    CYS  64           H        CYS  64 -10.636  -4.714   3.866
  476    HA   CYS  64           HA       CYS  64 -11.003  -7.349   5.236
  477   1HB   CYS  64          1HB       CYS  64 -12.544  -6.161   2.901
  478   2HB   CYS  64          2HB       CYS  64 -12.577  -7.881   3.343
  479    HG   CYS  64           HG       CYS  64 -14.771  -6.708   4.166
  480    H    ALA  65           H        ALA  65  -9.011  -8.195   4.881
  481    HA   ALA  65           HA       ALA  65  -7.369  -7.611   2.636
  482   1HB   ALA  65          1HB       ALA  65  -7.335  -9.819   4.746
  483   2HB   ALA  65          2HB       ALA  65  -6.049  -9.599   3.555
  484   3HB   ALA  65          3HB       ALA  65  -6.386  -8.316   4.737
  485    H    ARG  66           H        ARG  66  -6.585  -9.132   0.995
  486    HA   ARG  66           HA       ARG  66  -8.116 -11.507   0.328
  487   1HB   ARG  66          1HB       ARG  66  -9.149 -10.736  -1.723
  488   2HB   ARG  66          2HB       ARG  66  -9.717  -9.747  -0.391
  489   1HG   ARG  66          1HG       ARG  66  -7.716  -8.119  -1.173
  490   2HG   ARG  66          2HG       ARG  66  -7.868  -9.033  -2.677
  491   1HD   ARG  66          1HD       ARG  66  -9.254  -7.142  -2.920
  492   2HD   ARG  66          2HD       ARG  66 -10.380  -8.475  -2.599
  493    HE   ARG  66           HE       ARG  66  -9.894  -7.512  -0.088
  494   1HH1  ARG  66          1HH1      ARG  66 -11.001  -5.846  -3.053
  495   2HH1  ARG  66          2HH1      ARG  66 -11.367  -4.376  -2.172
  496   1HH2  ARG  66          1HH2      ARG  66 -10.479  -5.616   0.969
  497   2HH2  ARG  66          2HH2      ARG  66 -11.021  -4.221   0.041
  498    H    GLN  67           H        GLN  67  -7.101 -12.619  -1.565
  499    HA   GLN  67           HA       GLN  67  -4.260 -11.970  -1.684
  500   1HB   GLN  67          1HB       GLN  67  -5.280 -14.343  -1.607
  501   2HB   GLN  67          2HB       GLN  67  -5.664 -14.102  -3.323
  502   1HG   GLN  67          1HG       GLN  67  -3.222 -13.662  -3.754
  503   2HG   GLN  67          2HG       GLN  67  -2.899 -13.881  -2.036
  504   1HE2  GLN  67          2HE2      GLN  67  -1.300 -15.429  -3.050
  505   2HE2  GLN  67          1HE2      GLN  67  -1.853 -17.071  -3.328
  506    H    ILE  68           H        ILE  68  -3.094 -11.337  -3.483
  507    HA   ILE  68           HA       ILE  68  -4.422  -9.638  -5.362
  508    HB   ILE  68           HB       ILE  68  -2.045  -9.394  -4.635
  509   1HG1  ILE  68          1HG1      ILE  68  -1.068  -8.921  -6.889
  510   2HG1  ILE  68          2HG1      ILE  68  -2.442  -9.711  -7.648
  511   1HG2  ILE  68          1HG2      ILE  68  -1.382 -11.799  -4.658
  512   2HG2  ILE  68          2HG2      ILE  68  -1.413 -11.759  -6.429
  513   3HG2  ILE  68          3HG2      ILE  68  -0.266 -10.750  -5.551
  514   1HD1  ILE  68          1HD1      ILE  68  -2.586  -7.272  -5.823
  515   2HD1  ILE  68          2HD1      ILE  68  -2.622  -7.221  -7.589
  516   3HD1  ILE  68          3HD1      ILE  68  -3.956  -7.981  -6.713
  517    H    SER  69           H        SER  69  -5.087 -10.063  -7.415
  518    HA   SER  69           HA       SER  69  -4.780 -12.731  -8.615
  519   1HB   SER  69          1HB       SER  69  -7.445 -11.417  -7.874
  520   2HB   SER  69          2HB       SER  69  -7.296 -12.725  -9.071
  521    HG   SER  69           HG       SER  69  -7.830 -13.482  -6.979
  522    H    ARG  70           H        ARG  70  -4.959 -12.512 -10.962
  523    HA   ARG  70           HA       ARG  70  -3.924 -10.026 -11.787
  524   1HB   ARG  70          1HB       ARG  70  -3.484 -12.269 -12.772
  525   2HB   ARG  70          2HB       ARG  70  -5.051 -12.210 -13.587
  526   1HG   ARG  70          1HG       ARG  70  -4.349 -10.415 -15.011
  527   2HG   ARG  70          2HG       ARG  70  -2.954 -10.027 -13.977
  528   1HD   ARG  70          1HD       ARG  70  -1.885 -12.145 -14.514
  529   2HD   ARG  70          2HD       ARG  70  -3.286 -12.667 -15.459
  530    HE   ARG  70           HE       ARG  70  -2.623 -10.393 -16.770
  531   1HH1  ARG  70          1HH2      ARG  70  -0.404 -12.954 -15.677
  532   2HH1  ARG  70          2HH2      ARG  70   0.288 -13.187 -17.245
  533   1HH2  ARG  70          1HH1      ARG  70  -1.543 -10.444 -18.636
  534   2HH2  ARG  70          2HH1      ARG  70  -0.269 -11.594 -18.984
  535    H    ARG  71           H        ARG  71  -7.315 -11.088 -11.780
  536    HA   ARG  71           HA       ARG  71  -8.360  -8.990 -13.384
  537   1HB   ARG  71          1HB       ARG  71  -9.644 -10.957 -12.547
  538   2HB   ARG  71          2HB       ARG  71  -9.592 -10.288 -10.907
  539   1HG   ARG  71          1HG       ARG  71 -10.872  -8.303 -11.671
  540   2HG   ARG  71          2HG       ARG  71 -10.862  -8.930 -13.334
  541   1HD   ARG  71          1HD       ARG  71 -12.128 -10.923 -12.586
  542   2HD   ARG  71          2HD       ARG  71 -12.127 -10.301 -10.922
  543    HE   ARG  71           HE       ARG  71 -13.205  -8.306 -12.617
  544   1HH1  ARG  71          1HH1      ARG  71 -14.089 -11.526 -11.413
  545   2HH1  ARG  71          2HH1      ARG  71 -15.789 -11.255 -11.511
  546   1HH2  ARG  71          1HH2      ARG  71 -15.470  -7.939 -12.749
  547   2HH2  ARG  71          2HH2      ARG  71 -16.587  -9.166 -12.290
  548    H    LEU  72           H        LEU  72  -7.355  -8.997  -9.911
  549    HA   LEU  72           HA       LEU  72  -8.262  -6.286  -9.439
  550   1HB   LEU  72          1HB       LEU  72  -6.177  -7.973  -7.999
  551   2HB   LEU  72          2HB       LEU  72  -6.634  -6.360  -7.500
  552    HG   LEU  72           HG       LEU  72  -8.665  -8.609  -7.735
  553   1HD1  LEU  72          1HD1      LEU  72  -6.946  -9.272  -6.102
  554   2HD1  LEU  72          2HD1      LEU  72  -7.100  -7.708  -5.272
  555   3HD1  LEU  72          3HD1      LEU  72  -8.452  -8.865  -5.280
  556   1HD2  LEU  72          1HD2      LEU  72  -8.750  -6.001  -6.161
  557   2HD2  LEU  72          2HD2      LEU  72  -9.617  -6.308  -7.690
  558   3HD2  LEU  72          3HD2      LEU  72 -10.025  -7.231  -6.244
  559    H    CYS  73           H        CYS  73  -5.091  -7.754 -10.469
  560    HA   CYS  73           HA       CYS  73  -3.684  -5.342 -10.601
  561   1HB   CYS  73          1HB       CYS  73  -3.448  -7.634 -12.602
  562   2HB   CYS  73          2HB       CYS  73  -2.219  -6.425 -12.226
  563    HG   CYS  73           HG       CYS  73  -1.916  -7.051  -9.716
  564    H    ARG  74           H        ARG  74  -6.133  -6.547 -12.922
  565    HA   ARG  74           HA       ARG  74  -5.602  -4.364 -14.816
  566   1HB   ARG  74          1HB       ARG  74  -7.797  -6.475 -14.595
  567   2HB   ARG  74          2HB       ARG  74  -7.718  -5.270 -15.886
  568   1HG   ARG  74          1HG       ARG  74  -5.560  -6.096 -16.633
  569   2HG   ARG  74          2HG       ARG  74  -5.478  -7.257 -15.297
  570   1HD   ARG  74          1HD       ARG  74  -7.459  -8.427 -16.146
  571   2HD   ARG  74          2HD       ARG  74  -7.598  -7.261 -17.483
  572    HE   ARG  74           HE       ARG  74  -5.054  -8.109 -17.793
  573   1HH1  ARG  74          1HH2      ARG  74  -8.137  -9.886 -17.617
  574   2HH1  ARG  74          2HH2      ARG  74  -7.546 -11.260 -18.474
  575   1HH2  ARG  74          1HH1      ARG  74  -4.243  -9.932 -18.768
  576   2HH2  ARG  74          2HH1      ARG  74  -5.267 -11.271 -19.221
  577    H    ASN  75           H        ASN  75  -7.727  -4.885 -12.036
  578    HA   ASN  75           HA       ASN  75  -9.726  -3.018 -12.788
  579   1HB   ASN  75          1HB       ASN  75  -9.995  -4.940 -11.186
  580   2HB   ASN  75          2HB       ASN  75  -9.045  -4.032 -10.006
  581   1HD2  ASN  75          2HD2      ASN  75 -10.456  -3.169  -8.464
  582   2HD2  ASN  75          1HD2      ASN  75 -12.018  -2.492  -8.828
  583    H    TYR  76           H        TYR  76  -6.559  -2.386 -11.569
  584    HA   TYR  76           HA       TYR  76  -7.396   0.390 -10.957
  585   1HB   TYR  76          1HB       TYR  76  -5.218  -1.086  -9.458
  586   2HB   TYR  76          2HB       TYR  76  -5.818   0.518  -9.117
  587    HD1  TYR  76           HD1      TYR  76  -6.418  -3.063  -8.832
  588    HD2  TYR  76           HD2      TYR  76  -7.980   0.801  -7.796
  589    HE1  TYR  76           HE1      TYR  76  -8.088  -4.150  -7.397
  590    HE2  TYR  76           HE2      TYR  76  -9.679  -0.258  -6.367
  591    HH   TYR  76           HH       TYR  76  -9.946  -3.823  -5.980
  592    H    ASP  77           H        ASP  77  -5.695   2.008 -11.278
  593    HA   ASP  77           HA       ASP  77  -4.313   1.271 -13.808
  594   1HB   ASP  77          1HB       ASP  77  -6.160   2.934 -13.861
  595   2HB   ASP  77          2HB       ASP  77  -5.216   3.984 -12.800
  596    H    LEU  78           H        LEU  78  -3.457   1.718 -10.606
  597    HA   LEU  78           HA       LEU  78  -0.674   2.020 -11.410
  598   1HB   LEU  78          1HB       LEU  78  -1.744   4.345 -10.859
  599   2HB   LEU  78          2HB       LEU  78  -1.760   3.816  -9.192
  600    HG   LEU  78           HG       LEU  78   0.097   5.308  -9.809
  601   1HD1  LEU  78          1HD1      LEU  78   0.390   3.690  -7.958
  602   2HD1  LEU  78          2HD1      LEU  78   1.218   2.581  -9.081
  603   3HD1  LEU  78          3HD1      LEU  78   1.902   4.172  -8.736
  604   1HD2  LEU  78          1HD2      LEU  78   1.273   3.085 -11.519
  605   2HD2  LEU  78          2HD2      LEU  78   0.385   4.484 -12.165
  606   3HD2  LEU  78          3HD2      LEU  78   1.886   4.728 -11.264
  607    H    ILE  79           H        ILE  79   0.505   0.578 -10.131
  608    HA   ILE  79           HA       ILE  79  -0.959  -0.731  -7.887
  609    HB   ILE  79           HB       ILE  79   0.849  -2.118  -9.891
  610   1HG1  ILE  79          1HG1      ILE  79  -1.142  -1.461 -11.131
  611   2HG1  ILE  79          2HG1      ILE  79  -1.018  -3.196 -10.941
  612   1HG2  ILE  79          1HG2      ILE  79  -0.988  -3.204  -7.713
  613   2HG2  ILE  79          2HG2      ILE  79  -0.105  -4.200  -8.892
  614   3HG2  ILE  79          3HG2      ILE  79   0.779  -3.224  -7.715
  615   1HD1  ILE  79          1HD1      ILE  79  -3.334  -2.367 -10.713
  616   2HD1  ILE  79          2HD1      ILE  79  -2.788  -3.194  -9.249
  617   3HD1  ILE  79          3HD1      ILE  79  -2.858  -1.413  -9.300
  618    H    LEU  80           H        LEU  80   0.355  -1.042  -6.082
  619    HA   LEU  80           HA       LEU  80   3.212  -0.272  -6.297
  620   1HB   LEU  80          1HB       LEU  80   1.118   0.867  -4.412
  621   2HB   LEU  80          2HB       LEU  80   2.856   1.064  -4.160
  622    HG   LEU  80           HG       LEU  80   1.335   2.068  -6.589
  623   1HD1  LEU  80          1HD1      LEU  80   1.469   4.284  -5.698
  624   2HD1  LEU  80          2HD1      LEU  80   0.662   3.251  -4.510
  625   3HD1  LEU  80          3HD1      LEU  80   2.363   3.729  -4.278
  626   1HD2  LEU  80          1HD2      LEU  80   3.359   3.371  -7.056
  627   2HD2  LEU  80          2HD2      LEU  80   4.183   2.635  -5.663
  628   3HD2  LEU  80          3HD2      LEU  80   3.708   1.655  -7.068
  629    H    THR  81           H        THR  81   4.516  -1.032  -4.602
  630    HA   THR  81           HA       THR  81   3.280  -2.615  -2.509
  631    HB   THR  81           HB       THR  81   3.366  -4.249  -4.307
  632    HG1  THR  81           1HG      THR  81   3.659  -4.905  -2.164
  633   1HG2  THR  81          1HG2      THR  81   5.419  -5.116  -5.186
  634   2HG2  THR  81          2HG2      THR  81   5.271  -3.411  -5.600
  635   3HG2  THR  81          3HG2      THR  81   6.379  -3.905  -4.294
  636    H    MET  82           H        MET  82   5.329  -3.579  -1.121
  637    HA   MET  82           HA       MET  82   6.546  -0.985  -0.404
  638   1HB   MET  82          1HB       MET  82   6.134  -3.561   1.158
  639   2HB   MET  82          2HB       MET  82   6.629  -2.014   1.831
  640   1HG   MET  82          1HG       MET  82   3.942  -2.674   0.555
  641   2HG   MET  82          2HG       MET  82   4.259  -2.398   2.246
  642   1HE   MET  82          1HE       MET  82   1.996  -1.087   0.341
  643   2HE   MET  82          2HE       MET  82   2.038  -0.707   2.082
  644   3HE   MET  82          3HE       MET  82   1.979   0.605   0.883
  645    H    GLU  83           H        GLU  83   7.558  -3.997  -1.789
  646    HA   GLU  83           HA       GLU  83  10.390  -3.423  -1.085
  647   1HB   GLU  83          1HB       GLU  83   8.938  -6.070  -0.673
  648   2HB   GLU  83          2HB       GLU  83  10.692  -5.876  -0.643
  649   1HG   GLU  83          1HG       GLU  83  10.552  -4.360   1.276
  650   2HG   GLU  83          2HG       GLU  83   8.789  -4.420   1.238
  651    H    LYS  84           H        LYS  84  11.872  -4.212  -2.673
  652    HA   LYS  84           HA       LYS  84  10.772  -3.979  -5.327
  653   1HB   LYS  84          1HB       LYS  84  13.572  -4.671  -4.339
  654   2HB   LYS  84          2HB       LYS  84  13.146  -4.413  -6.038
  655   1HG   LYS  84          1HG       LYS  84  12.415  -2.106  -5.549
  656   2HG   LYS  84          2HG       LYS  84  12.738  -2.343  -3.834
  657   1HD   LYS  84          1HD       LYS  84  14.549  -1.088  -4.746
  658   2HD   LYS  84          2HD       LYS  84  15.154  -2.702  -4.340
  659   1HE   LYS  84          1HE       LYS  84  14.942  -3.365  -6.742
  660   2HE   LYS  84          2HE       LYS  84  14.323  -1.754  -7.127
  661   1HZ   LYS  84          1HZ       LYS  84  16.678  -1.939  -7.608
  662   2HZ   LYS  84          2HZ       LYS  84  16.462  -0.842  -6.425
  663   3HZ   LYS  84          3HZ       LYS  84  17.031  -2.333  -6.068
  664    H    ARG  85           H        ARG  85  11.904  -6.769  -3.401
  665    HA   ARG  85           HA       ARG  85  11.632  -8.777  -5.396
  666   1HB   ARG  85          1HB       ARG  85  11.113 -10.271  -3.446
  667   2HB   ARG  85          2HB       ARG  85  12.630  -9.416  -3.382
  668   1HG   ARG  85          1HG       ARG  85  10.543  -7.875  -1.977
  669   2HG   ARG  85          2HG       ARG  85  10.590  -9.529  -1.414
  670   1HD   ARG  85          1HD       ARG  85  12.006  -8.190  -0.018
  671   2HD   ARG  85          2HD       ARG  85  12.987  -9.347  -0.890
  672    HE   ARG  85           HE       ARG  85  12.914  -6.376  -1.206
  673   1HH1  ARG  85          1HH2      ARG  85  14.477  -9.435  -2.190
  674   2HH1  ARG  85          2HH2      ARG  85  15.907  -8.652  -2.745
  675   1HH2  ARG  85          1HH1      ARG  85  14.803  -5.392  -1.833
  676   2HH2  ARG  85          2HH1      ARG  85  16.084  -6.301  -2.583
  677    H    HIS  86           H        HIS  86   9.064  -7.100  -3.492
  678    HA   HIS  86           HA       HIS  86   7.026  -8.951  -4.420
  679   1HB   HIS  86          1HB       HIS  86   6.717  -6.131  -3.346
  680   2HB   HIS  86          2HB       HIS  86   5.442  -7.323  -3.533
  681    HD1  HIS  86           HD1      HIS  86   7.832  -9.469  -1.980
  682    HD2  HIS  86           HD2      HIS  86   5.680  -6.057  -0.784
  683    HE1  HIS  86           HE1      HIS  86   7.806  -9.482   0.563
  684    H    ILE  87           H        ILE  87   8.319  -5.759  -5.544
  685    HA   ILE  87           HA       ILE  87   6.435  -5.333  -7.618
  686    HB   ILE  87           HB       ILE  87   9.414  -4.712  -7.785
  687   1HG1  ILE  87          1HG1      ILE  87   7.238  -2.876  -6.690
  688   2HG1  ILE  87          2HG1      ILE  87   8.407  -3.742  -5.694
  689   1HG2  ILE  87          1HG2      ILE  87   7.064  -3.292  -9.102
  690   2HG2  ILE  87          2HG2      ILE  87   8.789  -2.982  -9.379
  691   3HG2  ILE  87          3HG2      ILE  87   8.088  -4.491  -9.919
  692   1HD1  ILE  87          1HD1      ILE  87  10.259  -2.556  -6.978
  693   2HD1  ILE  87          2HD1      ILE  87   8.992  -1.519  -7.666
  694   3HD1  ILE  87          3HD1      ILE  87   9.246  -1.561  -5.919
  695    H    GLU  88           H        GLU  88   9.490  -7.269  -7.541
  696    HA   GLU  88           HA       GLU  88   9.364  -8.045 -10.260
  697   1HB   GLU  88          1HB       GLU  88  11.339  -8.215  -8.676
  698   2HB   GLU  88          2HB       GLU  88  10.578  -9.651  -7.978
  699   1HG   GLU  88          1HG       GLU  88  10.561 -10.668 -10.306
  700   2HG   GLU  88          2HG       GLU  88  11.458  -9.262 -10.874
  701    H    ARG  89           H        ARG  89   7.969  -9.641  -7.312
  702    HA   ARG  89           HA       ARG  89   6.970 -11.911  -8.717
  703   1HB   ARG  89          1HB       ARG  89   5.835 -10.611  -6.225
  704   2HB   ARG  89          2HB       ARG  89   5.420 -12.216  -6.820
  705   1HG   ARG  89          1HG       ARG  89   8.220 -11.397  -6.018
  706   2HG   ARG  89          2HG       ARG  89   7.067 -12.106  -4.908
  707   1HD   ARG  89          1HD       ARG  89   8.627 -13.765  -5.578
  708   2HD   ARG  89          2HD       ARG  89   7.055 -14.178  -6.277
  709    HE   ARG  89           HE       ARG  89   8.018 -14.091  -8.366
  710   1HH1  ARG  89          1HH2      ARG  89  10.199 -12.156  -6.242
  711   2HH1  ARG  89          2HH2      ARG  89  11.384 -12.032  -7.532
  712   1HH2  ARG  89          1HH1      ARG  89   9.555 -13.835  -9.872
  713   2HH2  ARG  89          2HH1      ARG  89  11.050 -12.920  -9.530
  714    H    LEU  90           H        LEU  90   5.541  -8.667  -8.157
  715    HA   LEU  90           HA       LEU  90   3.013  -9.366  -9.360
  716   1HB   LEU  90          1HB       LEU  90   4.385  -6.695  -8.871
  717   2HB   LEU  90          2HB       LEU  90   2.759  -6.838  -9.538
  718    HG   LEU  90           HG       LEU  90   3.571  -8.002  -6.834
  719   1HD1  LEU  90          1HD1      LEU  90   2.497  -6.124  -5.789
  720   2HD1  LEU  90          2HD1      LEU  90   3.735  -5.511  -6.886
  721   3HD1  LEU  90          3HD1      LEU  90   2.020  -5.441  -7.359
  722   1HD2  LEU  90          1HD2      LEU  90   1.119  -8.073  -6.440
  723   2HD2  LEU  90          2HD2      LEU  90   0.842  -7.581  -8.123
  724   3HD2  LEU  90          3HD2      LEU  90   1.611  -9.140  -7.746
  725    H    CYS  91           H        CYS  91   6.069  -8.019 -10.690
  726    HA   CYS  91           HA       CYS  91   5.082  -7.624 -13.349
  727   1HB   CYS  91          1HB       CYS  91   7.883  -8.333 -12.342
  728   2HB   CYS  91          2HB       CYS  91   7.495  -7.812 -13.983
  729    HG   CYS  91           HG       CYS  91   6.997  -6.199 -11.138
  730    H    GLU  92           H        GLU  92   6.404 -10.505 -11.667
  731    HA   GLU  92           HA       GLU  92   6.449 -12.185 -13.965
  732   1HB   GLU  92          1HB       GLU  92   7.772 -12.556 -11.941
  733   2HB   GLU  92          2HB       GLU  92   6.305 -12.816 -10.988
  734   1HG   GLU  92          1HG       GLU  92   5.779 -14.835 -12.274
  735   2HG   GLU  92          2HG       GLU  92   7.162 -14.540 -13.338
  736    H    MET  93           H        MET  93   3.970 -11.706 -11.357
  737    HA   MET  93           HA       MET  93   2.147 -13.656 -12.397
  738   1HB   MET  93          1HB       MET  93   1.767 -11.245 -10.569
  739   2HB   MET  93          2HB       MET  93   0.460 -12.349 -11.010
  740   1HG   MET  93          1HG       MET  93   1.771 -14.262 -10.104
  741   2HG   MET  93          2HG       MET  93   3.029 -13.143  -9.596
  742   1HE   MET  93          1HE       MET  93  -1.029 -12.773  -9.278
  743   2HE   MET  93          2HE       MET  93  -0.550 -14.481  -9.128
  744   3HE   MET  93          3HE       MET  93  -1.183 -13.610  -7.721
  745    H    ALA  94           H        ALA  94   2.526 -10.154 -13.043
  746    HA   ALA  94           HA       ALA  94   0.557 -10.409 -15.272
  747   1HB   ALA  94          1HB       ALA  94  -0.629  -9.499 -13.322
  748   2HB   ALA  94          2HB       ALA  94   0.598  -8.226 -13.149
  749   3HB   ALA  94          3HB       ALA  94  -0.443  -8.269 -14.589
  750    HA   PRO  95           HA       PRO  95   4.559  -8.582 -16.761
  751   1HB   PRO  95          1HB       PRO  95   3.393  -9.892 -19.224
  752   2HB   PRO  95          2HB       PRO  95   5.109  -9.754 -18.733
  753   1HG   PRO  95          1HG       PRO  95   3.777 -12.075 -18.338
  754   2HG   PRO  95          2HG       PRO  95   4.832 -11.426 -17.039
  755   1HD   PRO  95          1HD       PRO  95   1.824 -11.216 -17.293
  756   2HD   PRO  95          2HD       PRO  95   2.811 -11.632 -15.860
  757    H    GLU  96           H        GLU  96   1.204  -8.512 -18.028
  758    HA   GLU  96           HA       GLU  96   1.439  -6.230 -19.663
  759   1HB   GLU  96          1HB       GLU  96  -0.990  -6.129 -19.506
  760   2HB   GLU  96          2HB       GLU  96  -0.440  -7.793 -19.695
  761   1HG   GLU  96          1HG       GLU  96  -0.704  -8.116 -17.202
  762   2HG   GLU  96          2HG       GLU  96  -1.379  -6.487 -17.097
  763    H    MET  97           H        MET  97   1.800  -6.340 -16.259
  764    HA   MET  97           HA       MET  97   1.271  -3.418 -15.985
  765   1HB   MET  97          1HB       MET  97   0.537  -5.772 -14.337
  766   2HB   MET  97          2HB       MET  97   1.386  -4.548 -13.407
  767   1HG   MET  97          1HG       MET  97  -1.020  -3.973 -15.165
  768   2HG   MET  97          2HG       MET  97  -1.089  -4.284 -13.427
  769   1HE   MET  97          1HE       MET  97  -2.294  -1.693 -14.900
  770   2HE   MET  97          2HE       MET  97  -2.455  -2.071 -13.171
  771   3HE   MET  97          3HE       MET  97  -1.884  -0.465 -13.674
  772    H    ARG  98           H        ARG  98   3.841  -5.502 -16.496
  773    HA   ARG  98           HA       ARG  98   5.450  -4.895 -14.245
  774   1HB   ARG  98          1HB       ARG  98   7.283  -5.880 -15.393
  775   2HB   ARG  98          2HB       ARG  98   5.841  -6.787 -15.841
  776   1HG   ARG  98          1HG       ARG  98   5.829  -5.317 -17.995
  777   2HG   ARG  98          2HG       ARG  98   7.443  -4.805 -17.516
  778   1HD   ARG  98          1HD       ARG  98   6.576  -7.695 -17.988
  779   2HD   ARG  98          2HD       ARG  98   7.454  -6.692 -19.131
  780    HE   ARG  98           HE       ARG  98   9.362  -6.643 -17.710
  781   1HH1  ARG  98          1HH2      ARG  98   6.956  -9.058 -16.641
  782   2HH1  ARG  98          2HH2      ARG  98   8.114 -10.017 -15.810
  783   1HH2  ARG  98          1HH1      ARG  98  10.859  -7.898 -16.545
  784   2HH2  ARG  98          2HH1      ARG  98  10.367  -9.324 -15.719
  785    H    GLY  99           H        GLY  99   7.055  -3.345 -13.857
  786   1HA   GLY  99          1HA       GLY  99   8.182  -1.359 -14.041
  787   2HA   GLY  99          2HA       GLY  99   7.704  -1.248 -15.741
  788    H    LYS 100           H        LYS 100   4.805  -1.345 -15.318
  789    HA   LYS 100           HA       LYS 100   4.232   1.353 -14.417
  790   1HB   LYS 100          1HB       LYS 100   3.004   0.157 -16.217
  791   2HB   LYS 100          2HB       LYS 100   2.344  -0.966 -15.024
  792   1HG   LYS 100          1HG       LYS 100   1.102   0.804 -13.934
  793   2HG   LYS 100          2HG       LYS 100   1.932   2.051 -14.889
  794   1HD   LYS 100          1HD       LYS 100   0.907   1.245 -16.954
  795   2HD   LYS 100          2HD       LYS 100   0.162  -0.123 -16.099
  796   1HE   LYS 100          1HE       LYS 100  -1.145   1.434 -14.708
  797   2HE   LYS 100          2HE       LYS 100  -0.393   2.819 -15.495
  798   1HZ   LYS 100          1HZ       LYS 100  -2.088   0.831 -16.894
  799   2HZ   LYS 100          2HZ       LYS 100  -2.604   2.290 -16.361
  800   3HZ   LYS 100          3HZ       LYS 100  -1.469   2.200 -17.545
  801    H    VAL 101           H        VAL 101   4.154  -1.893 -12.950
  802    HA   VAL 101           HA       VAL 101   3.108  -0.886 -10.427
  803    HB   VAL 101           HB       VAL 101   2.687  -3.196 -11.041
  804   1HG1  VAL 101          1HG1      VAL 101   4.730  -3.735 -12.356
  805   2HG1  VAL 101          2HG1      VAL 101   5.674  -3.755 -10.867
  806   3HG1  VAL 101          3HG1      VAL 101   4.380  -4.939 -11.116
  807   1HG2  VAL 101          1HG2      VAL 101   2.930  -2.591  -8.627
  808   2HG2  VAL 101          2HG2      VAL 101   3.293  -4.282  -8.986
  809   3HG2  VAL 101          3HG2      VAL 101   4.614  -3.139  -8.681
  810    H    MET 102           H        MET 102   4.442  -0.217  -8.632
  811    HA   MET 102           HA       MET 102   7.356  -0.371  -8.939
  812   1HB   MET 102          1HB       MET 102   7.806   1.967  -9.032
  813   2HB   MET 102          2HB       MET 102   6.701   1.592 -10.345
  814   1HG   MET 102          1HG       MET 102   4.806   2.433  -8.910
  815   2HG   MET 102          2HG       MET 102   6.000   2.899  -7.690
  816   1HE   MET 102          1HE       MET 102   5.384   3.261 -11.611
  817   2HE   MET 102          2HE       MET 102   3.989   3.858 -10.684
  818   3HE   MET 102          3HE       MET 102   4.979   4.994 -11.628
  819    H    LEU 103           H        LEU 103   8.339   1.176  -7.061
  820    HA   LEU 103           HA       LEU 103   7.413  -0.106  -4.657
  821   1HB   LEU 103          1HB       LEU 103   9.851   0.581  -5.419
  822   2HB   LEU 103          2HB       LEU 103   9.416   2.175  -4.832
  823    HG   LEU 103           HG       LEU 103   8.865   1.061  -2.576
  824   1HD1  LEU 103          1HD1      LEU 103   9.977  -1.111  -2.142
  825   2HD1  LEU 103          2HD1      LEU 103   8.673  -1.301  -3.318
  826   3HD1  LEU 103          3HD1      LEU 103  10.368  -1.273  -3.859
  827   1HD2  LEU 103          1HD2      LEU 103  11.692   0.966  -3.712
  828   2HD2  LEU 103          2HD2      LEU 103  10.892   2.334  -2.891
  829   3HD2  LEU 103          3HD2      LEU 103  11.293   0.870  -1.990
  830    H    PHE 104           H        PHE 104   6.096   0.726  -3.053
  831    HA   PHE 104           HA       PHE 104   4.688   3.158  -3.313
  832   1HB   PHE 104          1HB       PHE 104   4.138   1.126  -1.877
  833   2HB   PHE 104          2HB       PHE 104   5.337   1.698  -0.721
  834    HD1  PHE 104           HD1      PHE 104   4.751   3.473   0.854
  835    HD2  PHE 104           HD2      PHE 104   2.135   2.504  -2.427
  836    HE1  PHE 104           HE1      PHE 104   2.987   4.964   1.796
  837    HE2  PHE 104           HE2      PHE 104   0.429   4.058  -1.540
  838    HZ   PHE 104           HZ       PHE 104   0.855   5.284   0.570
  839    H    GLY 105           H        GLY 105   7.729   2.399  -1.566
  840   1HA   GLY 105          1HA       GLY 105   7.999   5.097  -0.489
  841   2HA   GLY 105          2HA       GLY 105   9.139   3.756  -0.328
  842    H    HIS 106           H        HIS 106   8.074   4.554  -3.588
  843    HA   HIS 106           HA       HIS 106  10.618   4.748  -4.634
  844   1HB   HIS 106          1HB       HIS 106   8.847   4.317  -6.063
  845   2HB   HIS 106          2HB       HIS 106   7.939   5.748  -5.555
  846    HD1  HIS 106           HD1      HIS 106  10.975   4.828  -7.818
  847    HD2  HIS 106           HD2      HIS 106   8.334   7.992  -6.873
  848    HE1  HIS 106           HE1      HIS 106  11.377   6.648  -9.540
  849    H    TRP 107           H        TRP 107   8.556   7.479  -3.510
  850    HA   TRP 107           HA       TRP 107  10.190   9.545  -4.471
  851   1HB   TRP 107          1HB       TRP 107   8.520   9.631  -1.947
  852   2HB   TRP 107          2HB       TRP 107   8.884  10.964  -3.037
  853    HD1  TRP 107           HD1      TRP 107   6.353   8.356  -2.301
  854    HE1  TRP 107           HE1      TRP 107   4.522   8.275  -4.053
  855    HE3  TRP 107           HE3      TRP 107   8.530  11.322  -5.881
  856    HZ2  TRP 107           HZ2      TRP 107   3.998   9.424  -6.670
  857    HZ3  TRP 107           HZ3      TRP 107   7.321  11.812  -7.993
  858    HH2  TRP 107           HH2      TRP 107   5.036  10.882  -8.378
  859    H    ASP 108           H        ASP 108  10.588   7.533  -1.584
  860    HA   ASP 108           HA       ASP 108  12.581   9.402  -0.430
  861   1HB   ASP 108          1HB       ASP 108  10.881   8.458   1.080
  862   2HB   ASP 108          2HB       ASP 108  11.408   6.822   0.671
  863    H    ASN 109           H        ASN 109  13.583   8.849  -2.684
  864    HA   ASN 109           HA       ASN 109  15.123   7.784  -3.945
  865   1HB   ASN 109          1HB       ASN 109  16.450   8.901  -2.151
  866   2HB   ASN 109          2HB       ASN 109  16.506   7.369  -1.272
  867   1HD2  ASN 109          2HD2      ASN 109  17.110   8.539  -4.678
  868   2HD2  ASN 109          1HD2      ASN 109  18.596   7.653  -4.869
  869    H    GLU 110           H        GLU 110  13.035   6.127  -3.655
  870    HA   GLU 110           HA       GLU 110  12.276   4.015  -3.582
  871   1HB   GLU 110          1HB       GLU 110  14.885   3.365  -4.989
  872   2HB   GLU 110          2HB       GLU 110  13.331   2.517  -5.117
  873   1HG   GLU 110          1HG       GLU 110  12.371   4.796  -5.873
  874   2HG   GLU 110          2HG       GLU 110  14.044   5.289  -6.121
  875    H    CYS 111           H        CYS 111  13.294   4.611  -1.105
  876    HA   CYS 111           HA       CYS 111  14.828   2.373  -0.063
  877   1HB   CYS 111          1HB       CYS 111  13.123   4.556   1.171
  878   2HB   CYS 111          2HB       CYS 111  13.851   3.253   2.145
  879    HG   CYS 111           HG       CYS 111  15.196   5.550   0.244
  880    H    GLU 112           H        GLU 112  14.096   0.365   0.400
  881    HA   GLU 112           HA       GLU 112  11.303  -0.374   0.011
  882   1HB   GLU 112          1HB       GLU 112  13.705  -1.889   1.138
  883   2HB   GLU 112          2HB       GLU 112  12.102  -2.590   0.877
  884   1HG   GLU 112          1HG       GLU 112  12.249  -2.058  -1.536
  885   2HG   GLU 112          2HG       GLU 112  13.867  -1.394  -1.304
  886    H    ILE 113           H        ILE 113   9.829  -0.966   1.620
  887    HA   ILE 113           HA       ILE 113  10.290   0.487   4.152
  888    HB   ILE 113           HB       ILE 113   7.776  -0.486   2.777
  889   1HG1  ILE 113          1HG1      ILE 113   9.146   2.223   2.956
  890   2HG1  ILE 113          2HG1      ILE 113   8.821   1.273   1.511
  891   1HG2  ILE 113          1HG2      ILE 113   7.469  -0.412   5.251
  892   2HG2  ILE 113          2HG2      ILE 113   7.942   1.302   5.233
  893   3HG2  ILE 113          3HG2      ILE 113   6.476   0.757   4.399
  894   1HD1  ILE 113          1HD1      ILE 113   6.361   1.629   1.892
  895   2HD1  ILE 113          2HD1      ILE 113   6.808   2.779   3.186
  896   3HD1  ILE 113          3HD1      ILE 113   7.300   3.088   1.519
  897    HA   PRO 114           HA       PRO 114  10.826  -3.407   6.313
  898   1HB   PRO 114          1HB       PRO 114   9.531  -2.061   8.662
  899   2HB   PRO 114          2HB       PRO 114  11.086  -2.930   8.576
  900   1HG   PRO 114          1HG       PRO 114  10.995  -0.205   8.660
  901   2HG   PRO 114          2HG       PRO 114  12.184  -1.062   7.629
  902   1HD   PRO 114          1HD       PRO 114   9.564   0.205   6.813
  903   2HD   PRO 114          2HD       PRO 114  11.162   0.261   6.008
  904    H    ASP 115           H        ASP 115   9.520  -5.044   7.581
  905    HA   ASP 115           HA       ASP 115   6.662  -5.056   6.699
  906   1HB   ASP 115          1HB       ASP 115   7.708  -6.784   5.545
  907   2HB   ASP 115          2HB       ASP 115   8.763  -7.197   6.904
  908    HA   PRO 116           HA       PRO 116   6.484  -4.902  11.212
  909   1HB   PRO 116          1HB       PRO 116   3.963  -4.017  11.579
  910   2HB   PRO 116          2HB       PRO 116   5.220  -2.970  10.856
  911   1HG   PRO 116          1HG       PRO 116   3.114  -4.623   9.418
  912   2HG   PRO 116          2HG       PRO 116   3.508  -2.894   9.169
  913   1HD   PRO 116          1HD       PRO 116   4.567  -4.914   7.622
  914   2HD   PRO 116          2HD       PRO 116   5.490  -3.430   8.000
  915    H    TYR 117           H        TYR 117   4.838  -7.196   9.152
  916    HA   TYR 117           HA       TYR 117   2.912  -8.281  10.825
  917   1HB   TYR 117          1HB       TYR 117   3.271  -8.809   8.439
  918   2HB   TYR 117          2HB       TYR 117   4.761  -9.659   8.842
  919    HD1  TYR 117           HD1      TYR 117   4.729 -11.854   9.877
  920    HD2  TYR 117           HD2      TYR 117   1.083  -9.742   9.016
  921    HE1  TYR 117           HE1      TYR 117   3.446 -13.954  10.245
  922    HE2  TYR 117           HE2      TYR 117  -0.225 -11.836   9.360
  923    HH   TYR 117           HH       TYR 117  -0.133 -14.099   9.930
  924    H    ARG 118           H        ARG 118   3.004  -9.251  12.763
  925    HA   ARG 118           HA       ARG 118   3.686 -10.292  14.596
  926   1HB   ARG 118          1HB       ARG 118   4.027 -12.070  12.734
  927   2HB   ARG 118          2HB       ARG 118   5.754 -11.833  13.012
  928   1HG   ARG 118          1HG       ARG 118   5.434 -12.516  15.394
  929   2HG   ARG 118          2HG       ARG 118   3.689 -12.668  15.107
  930   1HD   ARG 118          1HD       ARG 118   4.121 -14.424  13.420
  931   2HD   ARG 118          2HD       ARG 118   5.871 -14.253  13.687
  932    HE   ARG 118           HE       ARG 118   4.598 -14.762  16.177
  933   1HH1  ARG 118          1HH2      ARG 118   5.366 -16.465  13.156
  934   2HH1  ARG 118          2HH2      ARG 118   5.441 -18.024  13.888
  935   1HH2  ARG 118          1HH1      ARG 118   4.700 -16.841  17.153
  936   2HH2  ARG 118          2HH1      ARG 118   5.053 -18.238  16.212
  937    H    LYS 119           H        LYS 119   5.361  -7.822  13.542
  938    HA   LYS 119           HA       LYS 119   7.759  -8.209  15.265
  939   1HB   LYS 119          1HB       LYS 119   7.000  -5.752  13.667
  940   2HB   LYS 119          2HB       LYS 119   8.566  -6.144  14.376
  941   1HG   LYS 119          1HG       LYS 119   7.249  -7.351  11.952
  942   2HG   LYS 119          2HG       LYS 119   8.742  -6.431  12.026
  943   1HD   LYS 119          1HD       LYS 119   9.808  -8.338  13.270
  944   2HD   LYS 119          2HD       LYS 119   8.316  -9.266  13.070
  945   1HE   LYS 119          1HE       LYS 119  10.191  -8.283  10.883
  946   2HE   LYS 119          2HE       LYS 119   9.859  -9.953  11.356
  947   1HZ   LYS 119          1HZ       LYS 119   8.041  -8.080   9.979
  948   2HZ   LYS 119          2HZ       LYS 119   8.597  -9.493   9.396
  949   3HZ   LYS 119          3HZ       LYS 119   7.500  -9.488  10.624
  950    H    SER 120           H        SER 120   8.253  -6.078  16.591
  951    HA   SER 120           HA       SER 120   6.261  -5.872  18.640
  952   1HB   SER 120          1HB       SER 120   8.660  -4.086  18.050
  953   2HB   SER 120          2HB       SER 120   7.840  -4.276  19.614
  954    HG   SER 120           HG       SER 120   9.744  -5.549  19.466
  955    H    ARG 121           H        ARG 121   5.147  -3.861  19.359
  956    HA   ARG 121           HA       ARG 121   3.715  -2.567  17.298
  957   1HB   ARG 121          1HB       ARG 121   3.000  -2.808  19.688
  958   2HB   ARG 121          2HB       ARG 121   4.172  -1.560  20.140
  959   1HG   ARG 121          1HG       ARG 121   2.972   0.070  18.666
  960   2HG   ARG 121          2HG       ARG 121   1.823  -1.200  18.220
  961   1HD   ARG 121          1HD       ARG 121   1.176  -1.416  20.624
  962   2HD   ARG 121          2HD       ARG 121   2.261  -0.086  21.029
  963    HE   ARG 121           HE       ARG 121  -0.375   0.036  19.828
  964   1HH1  ARG 121          1HH1      ARG 121   2.672   1.904  20.189
  965   2HH1  ARG 121          2HH1      ARG 121   1.849   3.422  19.866
  966   1HH2  ARG 121          1HH2      ARG 121  -1.331   2.190  19.446
  967   2HH2  ARG 121          2HH2      ARG 121  -0.238   3.559  19.483
  968    H    GLU 122           H        GLU 122   6.765  -1.564  18.897
  969    HA   GLU 122           HA       GLU 122   6.830   1.047  17.795
  970   1HB   GLU 122          1HB       GLU 122   9.218   1.015  18.260
  971   2HB   GLU 122          2HB       GLU 122   8.281   0.389  19.615
  972   1HG   GLU 122          1HG       GLU 122   8.861  -1.933  18.952
  973   2HG   GLU 122          2HG       GLU 122   9.805  -1.316  17.595
  974    H    THR 123           H        THR 123   7.507  -2.107  16.287
  975    HA   THR 123           HA       THR 123   8.798  -0.935  13.958
  976    HB   THR 123           HB       THR 123   7.433  -3.632  14.098
  977    HG1  THR 123           1HG      THR 123   9.955  -2.921  15.189
  978   1HG2  THR 123          1HG2      THR 123   8.350  -3.044  11.918
  979   2HG2  THR 123          2HG2      THR 123   9.910  -2.604  12.646
  980   3HG2  THR 123          3HG2      THR 123   9.371  -4.293  12.653
  981    H    PHE 124           H        PHE 124   5.421  -1.919  14.872
  982    HA   PHE 124           HA       PHE 124   4.264  -1.297  12.309
  983   1HB   PHE 124          1HB       PHE 124   3.121  -1.327  15.124
  984   2HB   PHE 124          2HB       PHE 124   2.188  -0.809  13.738
  985    HD1  PHE 124           HD1      PHE 124   1.175  -2.356  12.225
  986    HD2  PHE 124           HD2      PHE 124   3.931  -3.748  15.235
  987    HE1  PHE 124           HE1      PHE 124   0.465  -4.705  11.820
  988    HE2  PHE 124           HE2      PHE 124   3.215  -6.076  14.814
  989    HZ   PHE 124           HZ       PHE 124   1.478  -6.560  13.109
  990    H    ALA 125           H        ALA 125   5.000   0.740  15.207
  991    HA   ALA 125           HA       ALA 125   3.891   3.135  14.130
  992   1HB   ALA 125          1HB       ALA 125   6.167   2.824  16.131
  993   2HB   ALA 125          2HB       ALA 125   5.187   4.275  15.856
  994   3HB   ALA 125          3HB       ALA 125   4.430   2.814  16.522
  995    H    ALA 126           H        ALA 126   7.261   1.837  13.940
  996    HA   ALA 126           HA       ALA 126   8.363   4.001  12.465
  997   1HB   ALA 126          1HB       ALA 126   9.084   1.034  12.358
  998   2HB   ALA 126          2HB       ALA 126  10.092   2.381  11.796
  999   3HB   ALA 126          3HB       ALA 126   9.716   2.221  13.523
 1000    H    VAL 127           H        VAL 127   6.815   0.949  11.289
 1001    HA   VAL 127           HA       VAL 127   7.030   1.630   8.537
 1002    HB   VAL 127           HB       VAL 127   5.200  -0.266  10.053
 1003   1HG1  VAL 127          1HG1      VAL 127   4.019   0.285   7.982
 1004   2HG1  VAL 127          2HG1      VAL 127   5.507   0.065   7.031
 1005   3HG1  VAL 127          3HG1      VAL 127   4.732  -1.317   7.831
 1006   1HG2  VAL 127          1HG2      VAL 127   7.591  -0.739   8.208
 1007   2HG2  VAL 127          2HG2      VAL 127   7.683  -0.762   9.978
 1008   3HG2  VAL 127          3HG2      VAL 127   6.718  -1.970   9.137
 1009    H    TYR 128           H        TYR 128   4.323   2.291  10.907
 1010    HA   TYR 128           HA       TYR 128   2.621   3.525   9.033
 1011   1HB   TYR 128          1HB       TYR 128   1.993   2.984  11.374
 1012   2HB   TYR 128          2HB       TYR 128   3.015   4.293  11.957
 1013    HD1  TYR 128           HD1      TYR 128  -0.280   3.410  10.784
 1014    HD2  TYR 128           HD2      TYR 128   2.471   6.720  11.126
 1015    HE1  TYR 128           HE1      TYR 128  -2.132   5.005  10.362
 1016    HE2  TYR 128           HE2      TYR 128   0.661   8.299  10.630
 1017    HH   TYR 128           HH       TYR 128  -1.612   8.557  10.195
 1018    H    THR 129           H        THR 129   5.364   4.955  10.916
 1019    HA   THR 129           HA       THR 129   4.934   7.610   9.988
 1020    HB   THR 129           HB       THR 129   7.540   6.298  10.884
 1021    HG1  THR 129           1HG      THR 129   5.988   5.957  12.448
 1022   1HG2  THR 129          1HG2      THR 129   6.590   9.199  10.994
 1023   2HG2  THR 129          2HG2      THR 129   8.087   8.571  11.723
 1024   3HG2  THR 129          3HG2      THR 129   7.889   8.558   9.965
 1025    H    LEU 130           H        LEU 130   7.033   4.967   8.680
 1026    HA   LEU 130           HA       LEU 130   8.106   6.596   6.577
 1027   1HB   LEU 130          1HB       LEU 130   9.186   4.602   7.497
 1028   2HB   LEU 130          2HB       LEU 130   7.878   3.577   6.904
 1029    HG   LEU 130           HG       LEU 130   8.522   3.891   4.622
 1030   1HD1  LEU 130          1HD1      LEU 130   9.173   6.272   4.543
 1031   2HD1  LEU 130          2HD1      LEU 130  10.558   5.953   5.609
 1032   3HD1  LEU 130          3HD1      LEU 130  10.507   5.283   3.963
 1033   1HD2  LEU 130          1HD2      LEU 130   9.838   2.310   6.031
 1034   2HD2  LEU 130          2HD2      LEU 130  10.782   2.940   4.667
 1035   3HD2  LEU 130          3HD2      LEU 130  11.044   3.567   6.310
 1036    H    LEU 131           H        LEU 131   5.245   4.462   6.783
 1037    HA   LEU 131           HA       LEU 131   4.502   4.741   4.008
 1038   1HB   LEU 131          1HB       LEU 131   2.896   4.070   6.510
 1039   2HB   LEU 131          2HB       LEU 131   2.196   4.129   4.897
 1040    HG   LEU 131           HG       LEU 131   4.426   2.222   5.729
 1041   1HD1  LEU 131          1HD1      LEU 131   2.634   0.522   5.579
 1042   2HD1  LEU 131          2HD1      LEU 131   2.268   1.735   6.811
 1043   3HD1  LEU 131          3HD1      LEU 131   1.454   1.790   5.225
 1044   1HD2  LEU 131          1HD2      LEU 131   3.922   1.084   3.592
 1045   2HD2  LEU 131          2HD2      LEU 131   2.844   2.422   3.140
 1046   3HD2  LEU 131          3HD2      LEU 131   4.576   2.700   3.344
 1047    H    GLU 132           H        GLU 132   3.783   6.668   6.977
 1048    HA   GLU 132           HA       GLU 132   1.885   8.375   5.753
 1049   1HB   GLU 132          1HB       GLU 132   2.154   8.164   8.135
 1050   2HB   GLU 132          2HB       GLU 132   3.774   8.829   8.099
 1051   1HG   GLU 132          1HG       GLU 132   1.285  10.349   7.228
 1052   2HG   GLU 132          2HG       GLU 132   1.880  10.340   8.881
 1053    H    ARG 133           H        ARG 133   5.488   8.736   6.034
 1054    HA   ARG 133           HA       ARG 133   5.663  11.118   4.500
 1055   1HB   ARG 133          1HB       ARG 133   7.582   8.745   4.646
 1056   2HB   ARG 133          2HB       ARG 133   7.973  10.280   3.892
 1057   1HG   ARG 133          1HG       ARG 133   7.315   9.928   6.848
 1058   2HG   ARG 133          2HG       ARG 133   8.926   9.977   6.147
 1059   1HD   ARG 133          1HD       ARG 133   8.651  12.144   6.925
 1060   2HD   ARG 133          2HD       ARG 133   8.291  12.297   5.197
 1061    HE   ARG 133           HE       ARG 133   5.918  11.763   6.791
 1062   1HH1  ARG 133          1HH2      ARG 133   8.115  14.438   5.955
 1063   2HH1  ARG 133          2HH2      ARG 133   6.959  15.663   6.320
 1064   1HH2  ARG 133          1HH1      ARG 133   4.428  13.296   7.238
 1065   2HH2  ARG 133          2HH1      ARG 133   4.787  15.004   7.111
 1066    H    SER 134           H        SER 134   5.847   7.724   3.360
 1067    HA   SER 134           HA       SER 134   6.224   8.389   0.644
 1068   1HB   SER 134          1HB       SER 134   5.000   5.871   1.837
 1069   2HB   SER 134          2HB       SER 134   5.741   6.027   0.232
 1070    HG   SER 134           HG       SER 134   6.947   6.121   2.804
 1071    H    ALA 135           H        ALA 135   3.196   7.663   2.440
 1072    HA   ALA 135           HA       ALA 135   1.433   7.813   0.212
 1073   1HB   ALA 135          1HB       ALA 135  -0.300   8.136   1.993
 1074   2HB   ALA 135          2HB       ALA 135   0.773   6.762   2.340
 1075   3HB   ALA 135          3HB       ALA 135   0.989   8.300   3.196
 1076    H    ARG 136           H        ARG 136   2.523  10.302   2.625
 1077    HA   ARG 136           HA       ARG 136   0.905  12.398   1.569
 1078   1HB   ARG 136          1HB       ARG 136   2.091  12.408   3.774
 1079   2HB   ARG 136          2HB       ARG 136   3.631  12.610   2.929
 1080   1HG   ARG 136          1HG       ARG 136   2.808  14.762   1.976
 1081   2HG   ARG 136          2HG       ARG 136   1.263  14.543   2.812
 1082   1HD   ARG 136          1HD       ARG 136   3.993  14.773   4.157
 1083   2HD   ARG 136          2HD       ARG 136   2.846  16.097   3.987
 1084    HE   ARG 136           HE       ARG 136   2.651  13.746   5.788
 1085   1HH1  ARG 136          1HH2      ARG 136   0.939  16.633   4.579
 1086   2HH1  ARG 136          2HH2      ARG 136  -0.147  16.679   5.918
 1087   1HH2  ARG 136          1HH1      ARG 136   1.368  13.835   7.475
 1088   2HH2  ARG 136          2HH1      ARG 136   0.077  15.012   7.656
 1089    H    GLN 137           H        GLN 137   4.169  11.182   0.645
 1090    HA   GLN 137           HA       GLN 137   4.588  13.207  -1.322
 1091   1HB   GLN 137          1HB       GLN 137   5.833  10.504  -0.770
 1092   2HB   GLN 137          2HB       GLN 137   6.356  11.537  -2.119
 1093   1HG   GLN 137          1HG       GLN 137   7.160  13.221  -0.782
 1094   2HG   GLN 137          2HG       GLN 137   6.122  12.841   0.582
 1095   1HE2  GLN 137          2HE2      GLN 137   8.473  13.462   1.335
 1096   2HE2  GLN 137          1HE2      GLN 137   9.438  12.074   1.795
 1097    H    TRP 138           H        TRP 138   3.132   9.883  -1.606
 1098    HA   TRP 138           HA       TRP 138   2.597  10.112  -4.380
 1099   1HB   TRP 138          1HB       TRP 138   1.341   8.519  -2.140
 1100   2HB   TRP 138          2HB       TRP 138   0.548   8.611  -3.709
 1101    HD1  TRP 138           HD1      TRP 138   3.353   6.804  -2.007
 1102    HE1  TRP 138           HE1      TRP 138   4.700   5.417  -3.655
 1103    HE3  TRP 138           HE3      TRP 138   1.176   8.429  -6.343
 1104    HZ2  TRP 138           HZ2      TRP 138   4.930   5.159  -6.570
 1105    HZ3  TRP 138           HZ3      TRP 138   1.971   7.584  -8.539
 1106    HH2  TRP 138           HH2      TRP 138   3.860   5.985  -8.656
 1107    H    ALA 139           H        ALA 139   0.663  11.303  -1.566
 1108    HA   ALA 139           HA       ALA 139  -1.432  12.395  -3.149
 1109   1HB   ALA 139          1HB       ALA 139  -1.604  12.036  -0.722
 1110   2HB   ALA 139          2HB       ALA 139  -0.382  13.294  -0.429
 1111   3HB   ALA 139          3HB       ALA 139  -1.938  13.729  -1.145
 1112    H    GLN 140           H        GLN 140   1.661  13.833  -2.025
 1113    HA   GLN 140           HA       GLN 140   1.331  16.440  -2.990
 1114   1HB   GLN 140          1HB       GLN 140   3.117  15.499  -1.476
 1115   2HB   GLN 140          2HB       GLN 140   3.910  14.808  -2.883
 1116   1HG   GLN 140          1HG       GLN 140   3.453  17.763  -2.355
 1117   2HG   GLN 140          2HG       GLN 140   4.939  16.876  -2.014
 1118   1HE2  GLN 140          2HE2      GLN 140   4.082  19.168  -4.025
 1119   2HE2  GLN 140          1HE2      GLN 140   4.831  18.648  -5.512
 1120    H    ALA 141           H        ALA 141   2.471  13.473  -4.693
 1121    HA   ALA 141           HA       ALA 141   3.023  14.824  -7.172
 1122   1HB   ALA 141          1HB       ALA 141   4.030  12.672  -6.578
 1123   2HB   ALA 141          2HB       ALA 141   2.436  11.883  -6.614
 1124   3HB   ALA 141          3HB       ALA 141   3.121  12.560  -8.105
 1125    H    LEU 142           H        LEU 142   0.276  12.739  -6.113
 1126    HA   LEU 142           HA       LEU 142  -1.387  12.959  -8.335
 1127   1HB   LEU 142          1HB       LEU 142  -1.939  12.750  -5.365
 1128   2HB   LEU 142          2HB       LEU 142  -3.282  12.892  -6.479
 1129    HG   LEU 142           HG       LEU 142  -1.177  10.728  -6.851
 1130   1HD1  LEU 142          1HD1      LEU 142  -3.751  10.582  -5.226
 1131   2HD1  LEU 142          2HD1      LEU 142  -2.709   9.202  -5.650
 1132   3HD1  LEU 142          3HD1      LEU 142  -2.096  10.474  -4.585
 1133   1HD2  LEU 142          1HD2      LEU 142  -3.071   9.603  -8.034
 1134   2HD2  LEU 142          2HD2      LEU 142  -4.092  11.012  -7.733
 1135   3HD2  LEU 142          3HD2      LEU 142  -2.665  11.150  -8.785
 1136    H    ASN 143           H        ASN 143  -1.109  15.290  -5.638
 1137    HA   ASN 143           HA       ASN 143  -3.118  17.093  -6.460
 1138   1HB   ASN 143          1HB       ASN 143  -2.075  17.023  -4.213
 1139   2HB   ASN 143          2HB       ASN 143  -0.553  17.595  -4.898
 1140   1HD2  ASN 143          2HD2      ASN 143  -0.236  19.779  -4.527
 1141   2HD2  ASN 143          1HD2      ASN 143  -1.505  20.970  -4.446
 1142    H    ALA 144           H        ALA 144  -0.092  16.499  -8.032
 1143    HA   ALA 144           HA       ALA 144  -0.314  19.014  -9.562
 1144   1HB   ALA 144          1HB       ALA 144   2.116  19.318  -9.419
 1145   2HB   ALA 144          2HB       ALA 144   1.409  19.301  -7.794
 1146   3HB   ALA 144          3HB       ALA 144   2.259  17.859  -8.407
 1147    H    GLU 145           H        GLU 145  -1.230  16.374 -10.169
 1148    HA   GLU 145           HA       GLU 145   0.415  15.736 -12.580
 1149   1HB   GLU 145          1HB       GLU 145  -0.882  13.942 -10.525
 1150   2HB   GLU 145          2HB       GLU 145  -0.735  13.353 -12.173
 1151   1HG   GLU 145          1HG       GLU 145   1.670  14.440 -10.680
 1152   2HG   GLU 145          2HG       GLU 145   1.152  12.759 -10.567
 1153    H    GLN 146           H        GLN 146  -1.572  17.746 -12.446
 1154    HA   GLN 146           HA       GLN 146  -3.907  16.859 -13.882
 1155   1HB   GLN 146          1HB       GLN 146  -2.520  19.592 -13.840
 1156   2HB   GLN 146          2HB       GLN 146  -4.101  19.248 -14.529
 1157   1HG   GLN 146          1HG       GLN 146  -4.584  20.222 -12.456
 1158   2HG   GLN 146          2HG       GLN 146  -4.873  18.501 -12.227
 1159   1HE2  GLN 146          2HE2      GLN 146  -4.657  18.990  -9.866
 1160   2HE2  GLN 146          1HE2      GLN 146  -3.054  19.162  -9.172
 1161    H    VAL 147           H        VAL 147  -4.304  17.199 -16.110
 1162    HA   VAL 147           HA       VAL 147  -2.057  17.098 -17.998
 1163    HB   VAL 147           HB       VAL 147  -3.154  14.951 -18.907
 1164   1HG1  VAL 147          1HG1      VAL 147  -1.774  13.493 -17.538
 1165   2HG1  VAL 147          2HG1      VAL 147  -0.917  15.016 -17.817
 1166   3HG1  VAL 147          3HG1      VAL 147  -1.687  14.704 -16.246
 1167   1HG2  VAL 147          1HG2      VAL 147  -5.202  14.949 -17.473
 1168   2HG2  VAL 147          2HG2      VAL 147  -4.263  13.461 -17.313
 1169   3HG2  VAL 147          3HG2      VAL 147  -4.191  14.693 -16.032
  Start of MODEL    5
    1    H    MET   1           H        MET   1  -5.555   9.785 -15.655
    2    HA   MET   1           HA       MET   1  -4.825  10.753 -13.600
    3   1HB   MET   1          1HB       MET   1  -6.724  12.289 -13.287
    4   2HB   MET   1          2HB       MET   1  -7.814  10.930 -12.987
    5   1HG   MET   1          1HG       MET   1  -7.092  12.112 -10.931
    6   2HG   MET   1          2HG       MET   1  -6.708  10.398 -10.915
    7   1HE   MET   1          1HE       MET   1  -3.839  11.922  -8.761
    8   2HE   MET   1          2HE       MET   1  -5.550  12.395  -8.812
    9   3HE   MET   1          3HE       MET   1  -5.099  10.674  -8.856
   10    H    PHE   2           H        PHE   2  -4.317   9.322 -11.878
   11    HA   PHE   2           HA       PHE   2  -5.073   6.527 -12.155
   12   1HB   PHE   2          1HB       PHE   2  -3.488   7.962  -9.987
   13   2HB   PHE   2          2HB       PHE   2  -3.589   6.226 -10.221
   14    HD1  PHE   2           HD1      PHE   2  -1.359   8.766 -10.513
   15    HD2  PHE   2           HD2      PHE   2  -3.067   5.671 -12.988
   16    HE1  PHE   2           HE1      PHE   2   0.645   8.818 -11.965
   17    HE2  PHE   2           HE2      PHE   2  -1.074   5.748 -14.451
   18    HZ   PHE   2           HZ       PHE   2   0.795   7.309 -13.939
   19    H    ASN   3           H        ASN   3  -7.459   7.307 -11.981
   20    HA   ASN   3           HA       ASN   3  -8.534   8.376  -9.617
   21   1HB   ASN   3          1HB       ASN   3  -9.732   8.333 -11.755
   22   2HB   ASN   3          2HB       ASN   3  -9.852   6.573 -11.679
   23   1HD2  ASN   3          2HD2      ASN   3 -11.853   5.867 -10.935
   24   2HD2  ASN   3          1HD2      ASN   3 -12.855   6.738  -9.807
   25    H    ASN   4           H        ASN   4  -7.889   4.983 -10.442
   26    HA   ASN   4           HA       ASN   4  -8.848   4.154  -7.734
   27   1HB   ASN   4          1HB       ASN   4 -10.383   3.504  -9.649
   28   2HB   ASN   4          2HB       ASN   4  -9.045   2.569 -10.332
   29   1HD2  ASN   4          2HD2      ASN   4 -10.149   0.464 -10.046
   30   2HD2  ASN   4          1HD2      ASN   4 -10.404  -0.150  -8.444
   31    H    ILE   5           H        ILE   5  -7.302   3.141  -6.539
   32    HA   ILE   5           HA       ILE   5  -4.757   2.339  -7.921
   33    HB   ILE   5           HB       ILE   5  -5.271   4.009  -5.433
   34   1HG1  ILE   5          1HG1      ILE   5  -4.008   4.738  -8.110
   35   2HG1  ILE   5          2HG1      ILE   5  -5.579   5.266  -7.519
   36   1HG2  ILE   5          1HG2      ILE   5  -2.854   4.270  -5.141
   37   2HG2  ILE   5          2HG2      ILE   5  -3.286   2.593  -5.025
   38   3HG2  ILE   5          3HG2      ILE   5  -2.563   3.196  -6.534
   39   1HD1  ILE   5          1HD1      ILE   5  -4.064   7.080  -7.279
   40   2HD1  ILE   5          2HD1      ILE   5  -4.483   6.489  -5.659
   41   3HD1  ILE   5          3HD1      ILE   5  -2.896   6.108  -6.388
   42    H    LEU   6           H        LEU   6  -3.523   0.712  -6.899
   43    HA   LEU   6           HA       LEU   6  -4.897  -0.811  -4.706
   44   1HB   LEU   6          1HB       LEU   6  -4.907  -1.960  -6.960
   45   2HB   LEU   6          2HB       LEU   6  -3.154  -1.886  -6.965
   46    HG   LEU   6           HG       LEU   6  -3.101  -3.347  -4.949
   47   1HD1  LEU   6          1HD1      LEU   6  -6.119  -3.484  -5.334
   48   2HD1  LEU   6          2HD1      LEU   6  -5.175  -4.546  -4.276
   49   3HD1  LEU   6          3HD1      LEU   6  -5.269  -2.817  -3.938
   50   1HD2  LEU   6          1HD2      LEU   6  -4.721  -4.482  -7.269
   51   2HD2  LEU   6          2HD2      LEU   6  -2.952  -4.353  -7.196
   52   3HD2  LEU   6          3HD2      LEU   6  -3.799  -5.425  -6.079
   53    H    VAL   7           H        VAL   7  -3.521  -1.470  -3.007
   54    HA   VAL   7           HA       VAL   7  -0.602  -0.948  -3.350
   55    HB   VAL   7           HB       VAL   7  -2.101  -0.819  -0.709
   56   1HG1  VAL   7          1HG1      VAL   7   0.643   0.238  -1.550
   57   2HG1  VAL   7          2HG1      VAL   7  -0.067   0.309   0.065
   58   3HG1  VAL   7          3HG1      VAL   7   0.366  -1.253  -0.640
   59   1HG2  VAL   7          1HG2      VAL   7  -3.006   1.034  -2.009
   60   2HG2  VAL   7          2HG2      VAL   7  -1.885   1.657  -0.802
   61   3HG2  VAL   7          3HG2      VAL   7  -1.376   1.539  -2.501
   62    H    VAL   8           H        VAL   8   0.706  -2.694  -2.933
   63    HA   VAL   8           HA       VAL   8  -0.692  -5.201  -2.103
   64    HB   VAL   8           HB       VAL   8   1.427  -4.863  -4.255
   65   1HG1  VAL   8          1HG1      VAL   8   1.367  -7.134  -3.252
   66   2HG1  VAL   8          2HG1      VAL   8  -0.384  -7.221  -3.549
   67   3HG1  VAL   8          3HG1      VAL   8   0.761  -7.157  -4.904
   68   1HG2  VAL   8          1HG2      VAL   8  -0.450  -5.294  -5.857
   69   2HG2  VAL   8          2HG2      VAL   8  -1.600  -5.144  -4.513
   70   3HG2  VAL   8          3HG2      VAL   8  -0.609  -3.756  -5.035
   71    H    CYS   9           H        CYS   9   0.309  -6.536  -0.713
   72    HA   CYS   9           HA       CYS   9   3.199  -6.200  -0.166
   73   1HB   CYS   9          1HB       CYS   9   0.991  -5.870   1.887
   74   2HB   CYS   9          2HB       CYS   9   2.590  -6.475   2.367
   75    HG   CYS   9           HG       CYS   9   2.249  -3.874   0.384
   76    H    VAL  10           H        VAL  10   3.739  -8.242   1.554
   77    HA   VAL  10           HA       VAL  10   3.066 -10.495  -0.145
   78    HB   VAL  10           HB       VAL  10   5.250 -10.330   0.783
   79   1HG1  VAL  10          1HG1      VAL  10   4.839  -9.181   2.931
   80   2HG1  VAL  10          2HG1      VAL  10   4.101 -10.669   3.580
   81   3HG1  VAL  10          3HG1      VAL  10   5.809 -10.640   3.132
   82   1HG2  VAL  10          1HG2      VAL  10   3.839 -12.719   2.011
   83   2HG2  VAL  10          2HG2      VAL  10   4.347 -12.569   0.315
   84   3HG2  VAL  10          3HG2      VAL  10   5.561 -12.584   1.604
   85    H    GLY  11           H        GLY  11   2.062  -9.458   3.173
   86   1HA   GLY  11          1HA       GLY  11   0.154 -11.751   3.229
   87   2HA   GLY  11          2HA       GLY  11   0.805 -10.873   4.608
   88    H    ASN  12           H        ASN  12   0.077  -8.364   2.698
   89    HA   ASN  12           HA       ASN  12  -1.556  -6.848   2.487
   90   1HB   ASN  12          1HB       ASN  12  -2.707  -8.710   1.333
   91   2HB   ASN  12          2HB       ASN  12  -3.517  -9.122   2.835
   92   1HD2  ASN  12          2HD2      ASN  12  -3.697  -5.776   3.018
   93   2HD2  ASN  12          1HD2      ASN  12  -5.224  -5.628   2.156
   94    H    ILE  13           H        ILE  13  -2.225  -8.957   5.333
   95    HA   ILE  13           HA       ILE  13  -4.117  -7.327   6.491
   96    HB   ILE  13           HB       ILE  13  -3.641  -8.558   8.592
   97   1HG1  ILE  13          1HG1      ILE  13  -1.380  -9.932   7.063
   98   2HG1  ILE  13          2HG1      ILE  13  -1.116  -8.653   8.241
   99   1HG2  ILE  13          1HG2      ILE  13  -4.283 -10.730   7.710
  100   2HG2  ILE  13          2HG2      ILE  13  -5.070  -9.467   6.772
  101   3HG2  ILE  13          3HG2      ILE  13  -3.667 -10.320   6.099
  102   1HD1  ILE  13          1HD1      ILE  13  -0.765 -10.790   9.304
  103   2HD1  ILE  13          2HD1      ILE  13  -2.214 -10.033   9.997
  104   3HD1  ILE  13          3HD1      ILE  13  -2.369 -11.358   8.819
  105    H    CYS  14           H        CYS  14  -1.030  -6.028   6.158
  106    HA   CYS  14           HA       CYS  14  -1.399  -4.409   8.655
  107   1HB   CYS  14          1HB       CYS  14   1.260  -5.573   7.717
  108   2HB   CYS  14          2HB       CYS  14   1.037  -4.385   9.008
  109    HG   CYS  14           HG       CYS  14   0.016  -7.499   8.759
  110    H    ARG  15           H        ARG  15   1.108  -4.310   6.047
  111    HA   ARG  15           HA       ARG  15   1.176  -1.474   6.333
  112   1HB   ARG  15          1HB       ARG  15   2.325  -3.203   4.119
  113   2HB   ARG  15          2HB       ARG  15   2.731  -1.521   4.458
  114   1HG   ARG  15          1HG       ARG  15   3.571  -2.236   6.716
  115   2HG   ARG  15          2HG       ARG  15   3.367  -3.917   6.205
  116   1HD   ARG  15          1HD       ARG  15   5.166  -1.824   4.897
  117   2HD   ARG  15          2HD       ARG  15   5.680  -3.186   5.892
  118    HE   ARG  15           HE       ARG  15   4.168  -3.655   3.361
  119   1HH1  ARG  15          1HH2      ARG  15   7.340  -3.945   5.026
  120   2HH1  ARG  15          2HH2      ARG  15   7.878  -5.164   3.881
  121   1HH2  ARG  15          2HH1      ARG  15   5.079  -5.244   1.887
  122   2HH2  ARG  15          1HH1      ARG  15   6.668  -5.858   2.225
  123    H    SER  16           H        SER  16  -0.082  -3.453   3.537
  124    HA   SER  16           HA       SER  16  -0.468  -1.148   2.003
  125   1HB   SER  16          1HB       SER  16  -1.994  -2.753   0.644
  126   2HB   SER  16          2HB       SER  16  -0.255  -2.956   0.724
  127    HG   SER  16           HG       SER  16  -1.387  -4.921   1.021
  128    HA   PRO  17           HA       PRO  17  -5.118  -0.955   3.510
  129   1HB   PRO  17          1HB       PRO  17  -4.555  -2.001   6.293
  130   2HB   PRO  17          2HB       PRO  17  -6.094  -2.001   5.376
  131   1HG   PRO  17          1HG       PRO  17  -4.591  -4.249   5.519
  132   2HG   PRO  17          2HG       PRO  17  -5.305  -3.755   3.947
  133   1HD   PRO  17          1HD       PRO  17  -2.478  -3.372   4.903
  134   2HD   PRO  17          2HD       PRO  17  -3.097  -3.862   3.295
  135    H    THR  18           H        THR  18  -2.250  -0.550   5.649
  136    HA   THR  18           HA       THR  18  -3.291   1.784   7.004
  137    HB   THR  18           HB       THR  18  -0.407   0.836   6.691
  138    HG1  THR  18           1HG      THR  18  -1.468  -0.797   7.694
  139   1HG2  THR  18          1HG2      THR  18  -0.053   2.034   8.824
  140   2HG2  THR  18          2HG2      THR  18  -0.554   3.145   7.542
  141   3HG2  THR  18          3HG2      THR  18  -1.730   2.631   8.771
  142    H    ALA  19           H        ALA  19  -1.112   1.241   4.151
  143    HA   ALA  19           HA       ALA  19  -0.745   4.029   3.574
  144   1HB   ALA  19          1HB       ALA  19  -0.214   3.167   1.258
  145   2HB   ALA  19          2HB       ALA  19   0.740   2.430   2.568
  146   3HB   ALA  19          3HB       ALA  19  -0.620   1.542   1.835
  147    H    GLU  20           H        GLU  20  -3.165   1.609   2.412
  148    HA   GLU  20           HA       GLU  20  -4.577   3.259   0.652
  149   1HB   GLU  20          1HB       GLU  20  -4.962   0.940   0.711
  150   2HB   GLU  20          2HB       GLU  20  -5.350   0.925   2.418
  151   1HG   GLU  20          1HG       GLU  20  -7.191   2.538   0.705
  152   2HG   GLU  20          2HG       GLU  20  -7.167   0.810   0.401
  153    H    ARG  21           H        ARG  21  -5.138   2.883   4.221
  154    HA   ARG  21           HA       ARG  21  -7.153   4.910   4.234
  155   1HB   ARG  21          1HB       ARG  21  -5.402   3.627   6.373
  156   2HB   ARG  21          2HB       ARG  21  -6.504   4.934   6.762
  157   1HG   ARG  21          1HG       ARG  21  -7.307   2.263   5.571
  158   2HG   ARG  21          2HG       ARG  21  -7.537   2.824   7.232
  159   1HD   ARG  21          1HD       ARG  21  -8.888   4.789   6.177
  160   2HD   ARG  21          2HD       ARG  21  -8.969   3.803   4.721
  161    HE   ARG  21           HE       ARG  21 -10.337   3.432   7.268
  162   1HH1  ARG  21          1HH2      ARG  21  -9.258   1.609   4.378
  163   2HH1  ARG  21          2HH2      ARG  21 -10.093   0.171   4.860
  164   1HH2  ARG  21          1HH1      ARG  21 -11.421   1.613   7.840
  165   2HH2  ARG  21          2HH1      ARG  21 -11.321   0.134   6.916
  166    H    LEU  22           H        LEU  22  -3.606   5.175   4.750
  167    HA   LEU  22           HA       LEU  22  -3.681   7.932   5.550
  168   1HB   LEU  22          1HB       LEU  22  -1.598   6.221   4.152
  169   2HB   LEU  22          2HB       LEU  22  -1.314   7.914   4.545
  170    HG   LEU  22           HG       LEU  22  -2.194   5.996   6.733
  171   1HD1  LEU  22          1HD1      LEU  22   0.593   6.395   5.612
  172   2HD1  LEU  22          2HD1      LEU  22   0.279   5.744   7.243
  173   3HD1  LEU  22          3HD1      LEU  22  -0.296   4.885   5.805
  174   1HD2  LEU  22          1HD2      LEU  22  -2.261   8.385   7.253
  175   2HD2  LEU  22          2HD2      LEU  22  -0.935   7.618   8.129
  176   3HD2  LEU  22          3HD2      LEU  22  -0.593   8.593   6.688
  177    H    LEU  23           H        LEU  23  -3.565   6.362   2.332
  178    HA   LEU  23           HA       LEU  23  -3.508   8.834   0.869
  179   1HB   LEU  23          1HB       LEU  23  -4.365   6.019   0.130
  180   2HB   LEU  23          2HB       LEU  23  -4.330   7.357  -1.020
  181    HG   LEU  23           HG       LEU  23  -1.840   6.593   0.551
  182   1HD1  LEU  23          1HD1      LEU  23  -2.545   4.560  -0.564
  183   2HD1  LEU  23          2HD1      LEU  23  -2.764   5.430  -2.108
  184   3HD1  LEU  23          3HD1      LEU  23  -1.150   5.227  -1.395
  185   1HD2  LEU  23          1HD2      LEU  23  -0.675   7.638  -1.349
  186   2HD2  LEU  23          2HD2      LEU  23  -2.231   8.007  -2.121
  187   3HD2  LEU  23          3HD2      LEU  23  -1.781   8.781  -0.585
  188    H    GLN  24           H        GLN  24  -6.274   6.789   2.101
  189    HA   GLN  24           HA       GLN  24  -8.300   8.462   0.976
  190   1HB   GLN  24          1HB       GLN  24  -8.345   6.882   3.596
  191   2HB   GLN  24          2HB       GLN  24  -9.721   7.721   2.916
  192   1HG   GLN  24          1HG       GLN  24  -8.329   5.317   1.707
  193   2HG   GLN  24          2HG       GLN  24  -9.924   5.381   2.431
  194   1HE2  GLN  24          2HE2      GLN  24  -8.035   6.012  -0.388
  195   2HE2  GLN  24          1HE2      GLN  24  -9.292   6.710  -1.418
  196    H    ARG  25           H        ARG  25  -6.404   8.830   4.023
  197    HA   ARG  25           HA       ARG  25  -7.898  11.018   4.987
  198   1HB   ARG  25          1HB       ARG  25  -6.217   9.653   6.268
  199   2HB   ARG  25          2HB       ARG  25  -4.919  10.514   5.427
  200   1HG   ARG  25          1HG       ARG  25  -5.714  12.667   6.384
  201   2HG   ARG  25          2HG       ARG  25  -7.071  11.822   7.144
  202   1HD   ARG  25          1HD       ARG  25  -5.427  12.138   8.840
  203   2HD   ARG  25          2HD       ARG  25  -5.426  10.420   8.415
  204    HE   ARG  25           HE       ARG  25  -3.466  12.069   6.989
  205   1HH1  ARG  25          1HH2      ARG  25  -4.026  10.106   9.905
  206   2HH1  ARG  25          2HH2      ARG  25  -2.354   9.699  10.110
  207   1HH2  ARG  25          1HH1      ARG  25  -1.214  11.691   7.418
  208   2HH2  ARG  25          2HH1      ARG  25  -0.748  10.826   8.852
  209    H    TYR  26           H        TYR  26  -4.913  11.020   2.933
  210    HA   TYR  26           HA       TYR  26  -4.955  13.899   2.712
  211   1HB   TYR  26          1HB       TYR  26  -3.464  11.810   1.082
  212   2HB   TYR  26          2HB       TYR  26  -3.164  13.544   1.044
  213    HD1  TYR  26           HD1      TYR  26  -3.030  14.511   3.722
  214    HD2  TYR  26           HD2      TYR  26  -1.712  10.693   2.193
  215    HE1  TYR  26           HE1      TYR  26  -1.437  14.314   5.601
  216    HE2  TYR  26           HE2      TYR  26  -0.098  10.508   4.062
  217    HH   TYR  26           HH       TYR  26   0.809  11.530   5.916
  218    H    HIS  27           H        HIS  27  -6.313  11.292   0.713
  219    HA   HIS  27           HA       HIS  27  -7.497  13.273  -1.162
  220   1HB   HIS  27          1HB       HIS  27  -5.823  10.818  -1.822
  221   2HB   HIS  27          2HB       HIS  27  -6.942  11.561  -2.956
  222    HD1  HIS  27           HD1      HIS  27  -5.541  14.516  -1.462
  223    HD2  HIS  27           HD2      HIS  27  -4.200  11.511  -4.085
  224    HE1  HIS  27           HE1      HIS  27  -3.745  15.581  -2.927
  225    HA   PRO  28           HA       PRO  28 -10.567  10.141   0.388
  226   1HB   PRO  28          1HB       PRO  28 -12.630  11.872   0.951
  227   2HB   PRO  28          2HB       PRO  28 -11.316  11.482   2.101
  228   1HG   PRO  28          1HG       PRO  28 -11.530  13.879   0.258
  229   2HG   PRO  28          2HG       PRO  28 -11.109  13.855   2.000
  230   1HD   PRO  28          1HD       PRO  28  -9.204  13.977   0.057
  231   2HD   PRO  28          2HD       PRO  28  -8.939  13.042   1.559
  232    H    GLU  29           H        GLU  29 -10.525  12.690  -2.031
  233    HA   GLU  29           HA       GLU  29 -12.894  11.788  -3.458
  234   1HB   GLU  29          1HB       GLU  29 -10.603  13.638  -4.264
  235   2HB   GLU  29          2HB       GLU  29 -12.111  13.443  -5.155
  236   1HG   GLU  29          1HG       GLU  29 -11.834  14.586  -2.345
  237   2HG   GLU  29          2HG       GLU  29 -12.110  15.492  -3.822
  238    H    LEU  30           H        LEU  30 -10.027  10.162  -3.066
  239    HA   LEU  30           HA       LEU  30  -9.933   9.174  -5.877
  240   1HB   LEU  30          1HB       LEU  30  -8.004  10.721  -4.932
  241   2HB   LEU  30          2HB       LEU  30  -7.556   9.294  -3.999
  242    HG   LEU  30           HG       LEU  30  -7.395   8.037  -6.230
  243   1HD1  LEU  30          1HD1      LEU  30  -7.108   9.499  -8.253
  244   2HD1  LEU  30          2HD1      LEU  30  -8.766   9.545  -7.643
  245   3HD1  LEU  30          3HD1      LEU  30  -7.665  10.894  -7.312
  246   1HD2  LEU  30          1HD2      LEU  30  -5.214   9.062  -6.803
  247   2HD2  LEU  30          2HD2      LEU  30  -5.619  10.492  -5.832
  248   3HD2  LEU  30          3HD2      LEU  30  -5.406   8.908  -5.049
  249    H    LYS  31           H        LYS  31  -9.503   6.823  -6.048
  250    HA   LYS  31           HA       LYS  31 -10.633   5.526  -3.608
  251   1HB   LYS  31          1HB       LYS  31 -12.021   5.331  -5.653
  252   2HB   LYS  31          2HB       LYS  31 -10.654   4.642  -6.524
  253   1HG   LYS  31          1HG       LYS  31 -12.137   2.855  -5.879
  254   2HG   LYS  31          2HG       LYS  31 -10.638   2.695  -4.975
  255   1HD   LYS  31          1HD       LYS  31 -11.784   3.775  -2.977
  256   2HD   LYS  31          2HD       LYS  31 -13.261   3.880  -3.933
  257   1HE   LYS  31          1HE       LYS  31 -13.352   1.973  -2.421
  258   2HE   LYS  31          2HE       LYS  31 -13.356   1.419  -4.098
  259   1HZ   LYS  31          1HZ       LYS  31 -10.934   1.467  -2.364
  260   2HZ   LYS  31          2HZ       LYS  31 -11.842   0.140  -2.628
  261   3HZ   LYS  31          3HZ       LYS  31 -11.050   0.837  -3.878
  262    H    VAL  32           H        VAL  32  -9.395   4.004  -2.575
  263    HA   VAL  32           HA       VAL  32  -7.091   2.844  -4.017
  264    HB   VAL  32           HB       VAL  32  -6.884   3.868  -1.162
  265   1HG1  VAL  32          1HG1      VAL  32  -4.822   2.824  -3.159
  266   2HG1  VAL  32          2HG1      VAL  32  -4.427   3.542  -1.590
  267   3HG1  VAL  32          3HG1      VAL  32  -5.337   2.035  -1.654
  268   1HG2  VAL  32          1HG2      VAL  32  -5.858   5.216  -3.695
  269   2HG2  VAL  32          2HG2      VAL  32  -7.044   5.868  -2.553
  270   3HG2  VAL  32          3HG2      VAL  32  -5.375   5.635  -2.051
  271    H    GLU  33           H        GLU  33  -6.660   0.704  -3.400
  272    HA   GLU  33           HA       GLU  33  -8.248  -0.484  -1.170
  273   1HB   GLU  33          1HB       GLU  33  -9.298  -0.686  -3.578
  274   2HB   GLU  33          2HB       GLU  33  -7.981  -1.814  -3.887
  275   1HG   GLU  33          1HG       GLU  33 -10.017  -2.997  -3.286
  276   2HG   GLU  33          2HG       GLU  33  -8.814  -3.265  -2.043
  277    H    SER  34           H        SER  34  -7.322  -3.028  -1.152
  278    HA   SER  34           HA       SER  34  -4.476  -3.030  -1.795
  279   1HB   SER  34          1HB       SER  34  -5.394  -3.618   1.037
  280   2HB   SER  34          2HB       SER  34  -3.760  -3.714   0.418
  281    HG   SER  34           HG       SER  34  -4.607  -1.313  -0.216
  282    H    ALA  35           H        ALA  35  -3.451  -5.081  -1.581
  283    HA   ALA  35           HA       ALA  35  -5.099  -7.475  -1.240
  284   1HB   ALA  35          1HB       ALA  35  -5.498  -6.908  -3.639
  285   2HB   ALA  35          2HB       ALA  35  -3.737  -6.901  -3.916
  286   3HB   ALA  35          3HB       ALA  35  -4.576  -8.400  -3.450
  287    H    GLY  36           H        GLY  36  -3.422  -9.446  -1.717
  288   1HA   GLY  36          1HA       GLY  36  -0.655  -8.574  -1.616
  289   2HA   GLY  36          2HA       GLY  36  -1.171  -9.451  -0.173
  290    H    LEU  37           H        LEU  37   0.931 -10.271  -1.592
  291    HA   LEU  37           HA       LEU  37   0.440 -11.895  -3.884
  292   1HB   LEU  37          1HB       LEU  37   2.715 -12.122  -1.875
  293   2HB   LEU  37          2HB       LEU  37   2.721 -12.708  -3.532
  294    HG   LEU  37           HG       LEU  37   2.593  -9.770  -2.707
  295   1HD1  LEU  37          1HD1      LEU  37   4.748 -10.857  -2.175
  296   2HD1  LEU  37          2HD1      LEU  37   4.885 -11.381  -3.872
  297   3HD1  LEU  37          3HD1      LEU  37   4.890  -9.650  -3.457
  298   1HD2  LEU  37          1HD2      LEU  37   3.103  -9.310  -5.101
  299   2HD2  LEU  37          2HD2      LEU  37   2.901 -11.038  -5.464
  300   3HD2  LEU  37          3HD2      LEU  37   1.525 -10.066  -4.885
  301    H    GLY  38           H        GLY  38   0.601 -12.649  -0.412
  302   1HA   GLY  38          1HA       GLY  38  -0.744 -15.263  -0.882
  303   2HA   GLY  38          2HA       GLY  38   0.742 -15.193   0.100
  304    H    ALA  39           H        ALA  39  -2.256 -13.269  -0.359
  305    HA   ALA  39           HA       ALA  39  -2.095 -12.099   2.291
  306   1HB   ALA  39          1HB       ALA  39  -4.404 -12.178   0.336
  307   2HB   ALA  39          2HB       ALA  39  -4.215 -11.030   1.662
  308   3HB   ALA  39          3HB       ALA  39  -3.101 -10.963   0.283
  309    H    LEU  40           H        LEU  40  -4.012 -12.118   3.737
  310    HA   LEU  40           HA       LEU  40  -4.941 -14.914   4.210
  311   1HB   LEU  40          1HB       LEU  40  -4.638 -12.567   6.119
  312   2HB   LEU  40          2HB       LEU  40  -5.375 -14.122   6.489
  313    HG   LEU  40           HG       LEU  40  -3.145 -15.220   5.851
  314   1HD1  LEU  40          1HD1      LEU  40  -1.125 -13.797   6.300
  315   2HD1  LEU  40          2HD1      LEU  40  -1.939 -13.352   4.808
  316   3HD1  LEU  40          3HD1      LEU  40  -2.157 -12.354   6.259
  317   1HD2  LEU  40          1HD2      LEU  40  -3.329 -13.445   8.319
  318   2HD2  LEU  40          2HD2      LEU  40  -4.008 -15.076   8.144
  319   3HD2  LEU  40          3HD2      LEU  40  -2.256 -14.847   8.127
  320    H    VAL  41           H        VAL  41  -6.522 -14.668   2.552
  321    HA   VAL  41           HA       VAL  41  -8.326 -12.678   2.150
  322    HB   VAL  41           HB       VAL  41  -9.059 -15.623   1.988
  323   1HG1  VAL  41          1HG1      VAL  41 -10.907 -14.049   1.499
  324   2HG1  VAL  41          2HG1      VAL  41  -9.893 -13.208   0.308
  325   3HG1  VAL  41          3HG1      VAL  41 -10.392 -14.892   0.038
  326   1HG2  VAL  41          1HG2      VAL  41  -6.896 -15.469   0.906
  327   2HG2  VAL  41          2HG2      VAL  41  -8.126 -15.521  -0.350
  328   3HG2  VAL  41          3HG2      VAL  41  -7.365 -13.973   0.071
  329    H    GLY  42           H        GLY  42  -9.840 -11.665   3.312
  330   1HA   GLY  42          1HA       GLY  42 -11.644 -11.323   4.654
  331   2HA   GLY  42          2HA       GLY  42 -11.851 -13.073   4.776
  332    H    LYS  43           H        LYS  43  -8.696 -12.196   5.882
  333    HA   LYS  43           HA       LYS  43  -9.472 -13.013   8.537
  334   1HB   LYS  43          1HB       LYS  43  -7.384 -13.585   7.296
  335   2HB   LYS  43          2HB       LYS  43  -6.765 -11.961   7.605
  336   1HG   LYS  43          1HG       LYS  43  -7.719 -13.553   9.979
  337   2HG   LYS  43          2HG       LYS  43  -6.314 -14.188   9.133
  338   1HD   LYS  43          1HD       LYS  43  -5.061 -12.129   9.475
  339   2HD   LYS  43          2HD       LYS  43  -6.457 -11.355  10.246
  340   1HE   LYS  43          1HE       LYS  43  -6.461 -13.146  11.991
  341   2HE   LYS  43          2HE       LYS  43  -5.036 -13.871  11.238
  342   1HZ   LYS  43          1HZ       LYS  43  -3.812 -11.836  11.753
  343   2HZ   LYS  43          2HZ       LYS  43  -5.142 -11.163  12.442
  344   3HZ   LYS  43          3HZ       LYS  43  -4.446 -12.474  13.110
  345    H    GLY  44           H        GLY  44  -9.523  -9.856   7.139
  346   1HA   GLY  44          1HA       GLY  44  -9.960  -7.831   8.159
  347   2HA   GLY  44          2HA       GLY  44  -9.721  -8.555   9.752
  348    H    ALA  45           H        ALA  45  -8.591  -6.121   9.340
  349    HA   ALA  45           HA       ALA  45  -5.789  -6.355   8.530
  350   1HB   ALA  45          1HB       ALA  45  -7.307  -4.166  10.019
  351   2HB   ALA  45          2HB       ALA  45  -5.607  -4.073   9.513
  352   3HB   ALA  45          3HB       ALA  45  -6.888  -4.192   8.295
  353    H    ASP  46           H        ASP  46  -4.039  -6.021  10.092
  354    HA   ASP  46           HA       ASP  46  -4.281  -7.863  12.314
  355   1HB   ASP  46          1HB       ASP  46  -2.211  -7.667  11.008
  356   2HB   ASP  46          2HB       ASP  46  -2.003  -5.998  11.572
  357    HA   PRO  47           HA       PRO  47  -5.816  -4.840  15.241
  358   1HB   PRO  47          1HB       PRO  47  -4.260  -6.540  17.200
  359   2HB   PRO  47          2HB       PRO  47  -5.900  -5.836  17.377
  360   1HG   PRO  47          1HG       PRO  47  -5.617  -8.433  16.671
  361   2HG   PRO  47          2HG       PRO  47  -6.819  -7.407  15.822
  362   1HD   PRO  47          1HD       PRO  47  -4.066  -8.234  14.900
  363   2HD   PRO  47          2HD       PRO  47  -5.597  -8.126  13.975
  364    H    THR  48           H        THR  48  -2.309  -5.506  15.003
  365    HA   THR  48           HA       THR  48  -1.626  -3.367  16.880
  366    HB   THR  48           HB       THR  48   0.377  -4.409  14.909
  367    HG1  THR  48           1HG      THR  48  -0.685  -6.231  15.323
  368   1HG2  THR  48          1HG2      THR  48   0.431  -4.010  17.936
  369   2HG2  THR  48          2HG2      THR  48   1.814  -4.475  16.920
  370   3HG2  THR  48          3HG2      THR  48   1.065  -2.881  16.715
  371    H    ALA  49           H        ALA  49  -1.856  -3.861  13.331
  372    HA   ALA  49           HA       ALA  49  -0.897  -1.251  12.582
  373   1HB   ALA  49          1HB       ALA  49  -1.987  -1.799  10.419
  374   2HB   ALA  49          2HB       ALA  49  -0.992  -3.149  11.002
  375   3HB   ALA  49          3HB       ALA  49  -2.756  -3.220  11.161
  376    H    ILE  50           H        ILE  50  -4.171  -2.658  13.159
  377    HA   ILE  50           HA       ILE  50  -5.660  -0.303  12.657
  378    HB   ILE  50           HB       ILE  50  -6.234  -2.479  14.688
  379   1HG1  ILE  50          1HG1      ILE  50  -7.213  -2.253  11.800
  380   2HG1  ILE  50          2HG1      ILE  50  -5.960  -3.348  12.332
  381   1HG2  ILE  50          1HG2      ILE  50  -8.617  -1.770  14.501
  382   2HG2  ILE  50          2HG2      ILE  50  -7.623  -0.453  15.075
  383   3HG2  ILE  50          3HG2      ILE  50  -8.134  -0.478  13.377
  384   1HD1  ILE  50          1HD1      ILE  50  -7.632  -4.435  13.895
  385   2HD1  ILE  50          2HD1      ILE  50  -8.895  -3.465  13.095
  386   3HD1  ILE  50          3HD1      ILE  50  -7.959  -4.633  12.167
  387    H    SER  51           H        SER  51  -4.220  -1.485  15.781
  388    HA   SER  51           HA       SER  51  -5.196   0.639  17.346
  389   1HB   SER  51          1HB       SER  51  -2.632  -0.962  17.706
  390   2HB   SER  51          2HB       SER  51  -3.433   0.015  18.952
  391    HG   SER  51           HG       SER  51  -4.377  -2.335  17.663
  392    H    VAL  52           H        VAL  52  -2.020   0.387  15.596
  393    HA   VAL  52           HA       VAL  52  -1.097   2.921  16.555
  394    HB   VAL  52           HB       VAL  52  -0.305   1.148  14.218
  395   1HG1  VAL  52          1HG1      VAL  52   1.750   2.461  13.998
  396   2HG1  VAL  52          2HG1      VAL  52   0.349   3.454  13.606
  397   3HG1  VAL  52          3HG1      VAL  52   1.151   3.652  15.179
  398   1HG2  VAL  52          1HG2      VAL  52   1.689   0.745  15.694
  399   2HG2  VAL  52          2HG2      VAL  52   0.974   1.790  16.927
  400   3HG2  VAL  52          3HG2      VAL  52   0.186   0.265  16.486
  401    H    ALA  53           H        ALA  53  -3.079   2.040  13.642
  402    HA   ALA  53           HA       ALA  53  -2.940   4.736  12.580
  403   1HB   ALA  53          1HB       ALA  53  -4.889   2.455  12.134
  404   2HB   ALA  53          2HB       ALA  53  -4.842   3.949  11.174
  405   3HB   ALA  53          3HB       ALA  53  -3.453   2.846  11.151
  406    H    ALA  54           H        ALA  54  -5.321   2.972  14.647
  407    HA   ALA  54           HA       ALA  54  -7.140   5.124  14.937
  408   1HB   ALA  54          1HB       ALA  54  -7.937   3.902  16.911
  409   2HB   ALA  54          2HB       ALA  54  -7.672   2.796  15.547
  410   3HB   ALA  54          3HB       ALA  54  -6.493   2.869  16.882
  411    H    GLU  55           H        GLU  55  -4.081   4.418  16.765
  412    HA   GLU  55           HA       GLU  55  -4.449   6.396  18.740
  413   1HB   GLU  55          1HB       GLU  55  -2.675   4.599  18.649
  414   2HB   GLU  55          2HB       GLU  55  -1.851   5.530  17.400
  415   1HG   GLU  55          1HG       GLU  55  -0.758   5.944  19.464
  416   2HG   GLU  55          2HG       GLU  55  -1.597   7.420  19.012
  417    H    HIS  56           H        HIS  56  -3.347   6.638  15.372
  418    HA   HIS  56           HA       HIS  56  -3.009   9.565  15.491
  419   1HB   HIS  56          1HB       HIS  56  -2.628   7.426  13.382
  420   2HB   HIS  56          2HB       HIS  56  -2.613   9.139  12.975
  421    HD1  HIS  56           HD1      HIS  56  -0.404  10.474  13.449
  422    HD2  HIS  56           HD2      HIS  56  -0.599   6.677  15.254
  423    HE1  HIS  56           HE1      HIS  56   1.881  10.053  14.484
  424    H    GLN  57           H        GLN  57  -5.681   7.853  15.795
  425    HA   GLN  57           HA       GLN  57  -7.853   8.132  15.345
  426   1HB   GLN  57          1HB       GLN  57  -7.056  11.007  14.762
  427   2HB   GLN  57          2HB       GLN  57  -8.681  10.451  15.141
  428   1HG   GLN  57          1HG       GLN  57  -6.331  10.138  17.067
  429   2HG   GLN  57          2HG       GLN  57  -7.409  11.523  17.040
  430   1HE2  GLN  57          1HE2      GLN  57  -7.330   7.948  17.590
  431   2HE2  GLN  57          2HE2      GLN  57  -8.769   7.938  18.578
  432    H    LEU  58           H        LEU  58  -6.286   7.100  13.155
  433    HA   LEU  58           HA       LEU  58  -7.947   7.977  10.846
  434   1HB   LEU  58          1HB       LEU  58  -5.253   7.346  10.964
  435   2HB   LEU  58          2HB       LEU  58  -5.949   5.799  10.500
  436    HG   LEU  58           HG       LEU  58  -6.253   8.466   9.079
  437   1HD1  LEU  58          1HD1      LEU  58  -4.881   5.881   8.240
  438   2HD1  LEU  58          2HD1      LEU  58  -4.992   7.384   7.290
  439   3HD1  LEU  58          3HD1      LEU  58  -4.076   7.358   8.802
  440   1HD2  LEU  58          1HD2      LEU  58  -8.357   7.431   8.684
  441   2HD2  LEU  58          2HD2      LEU  58  -7.394   7.115   7.254
  442   3HD2  LEU  58          3HD2      LEU  58  -7.622   5.827   8.469
  443    H    SER  59           H        SER  59  -9.684   6.721  10.295
  444    HA   SER  59           HA       SER  59 -10.488   4.587  12.018
  445   1HB   SER  59          1HB       SER  59 -11.773   5.595   9.444
  446   2HB   SER  59          2HB       SER  59 -12.561   4.699  10.756
  447    HG   SER  59           HG       SER  59 -12.936   6.958  10.891
  448    H    LEU  60           H        LEU  60  -8.564   3.150  11.504
  449    HA   LEU  60           HA       LEU  60  -8.728   1.695   8.924
  450   1HB   LEU  60          1HB       LEU  60  -6.566   2.509   9.710
  451   2HB   LEU  60          2HB       LEU  60  -6.764   1.653  11.238
  452    HG   LEU  60           HG       LEU  60  -6.346  -0.446  10.284
  453   1HD1  LEU  60          1HD1      LEU  60  -6.389   0.778   7.471
  454   2HD1  LEU  60          2HD1      LEU  60  -6.092  -0.919   7.886
  455   3HD1  LEU  60          3HD1      LEU  60  -7.693  -0.237   8.135
  456   1HD2  LEU  60          1HD2      LEU  60  -4.331   0.747  10.593
  457   2HD2  LEU  60          2HD2      LEU  60  -4.176  -0.177   9.109
  458   3HD2  LEU  60          3HD2      LEU  60  -4.482   1.572   9.025
  459    H    GLU  61           H        GLU  61 -10.748   1.605  11.328
  460    HA   GLU  61           HA       GLU  61 -10.452  -0.606  12.856
  461   1HB   GLU  61          1HB       GLU  61 -12.832  -0.485  13.298
  462   2HB   GLU  61          2HB       GLU  61 -12.126   1.124  13.182
  463   1HG   GLU  61          1HG       GLU  61 -13.008   1.343  10.856
  464   2HG   GLU  61          2HG       GLU  61 -13.717  -0.269  10.977
  465    H    GLY  62           H        GLY  62 -11.232  -0.920   9.437
  466   1HA   GLY  62          1HA       GLY  62 -10.773  -3.723   9.689
  467   2HA   GLY  62          2HA       GLY  62 -12.461  -3.394   9.257
  468    H    HIS  63           H        HIS  63 -10.236  -4.592   7.788
  469    HA   HIS  63           HA       HIS  63 -10.836  -3.413   5.195
  470   1HB   HIS  63          1HB       HIS  63  -8.709  -2.280   5.719
  471   2HB   HIS  63          2HB       HIS  63  -7.969  -3.815   6.176
  472    HD1  HIS  63           HD1      HIS  63  -8.359  -1.620   3.144
  473    HD2  HIS  63           HD2      HIS  63  -7.652  -5.672   4.099
  474    HE1  HIS  63           HE1      HIS  63  -7.633  -2.740   1.023
  475    H    CYS  64           H        CYS  64 -11.522  -5.201   4.035
  476    HA   CYS  64           HA       CYS  64 -10.976  -7.909   4.970
  477   1HB   CYS  64          1HB       CYS  64 -12.236  -6.860   2.393
  478   2HB   CYS  64          2HB       CYS  64 -12.161  -8.560   2.877
  479    HG   CYS  64           HG       CYS  64 -13.529  -6.034   4.554
  480    H    ALA  65           H        ALA  65  -8.791  -8.515   4.834
  481    HA   ALA  65           HA       ALA  65  -7.100  -7.823   2.619
  482   1HB   ALA  65          1HB       ALA  65  -6.955  -9.995   4.754
  483   2HB   ALA  65          2HB       ALA  65  -5.680  -9.710   3.558
  484   3HB   ALA  65          3HB       ALA  65  -6.095  -8.441   4.728
  485    H    ARG  66           H        ARG  66  -6.351  -9.283   0.913
  486    HA   ARG  66           HA       ARG  66  -8.026 -11.589   0.186
  487   1HB   ARG  66          1HB       ARG  66  -9.092 -10.568  -1.729
  488   2HB   ARG  66          2HB       ARG  66  -9.498  -9.636  -0.298
  489   1HG   ARG  66          1HG       ARG  66  -7.416  -8.125  -1.081
  490   2HG   ARG  66          2HG       ARG  66  -7.726  -8.907  -2.633
  491   1HD   ARG  66          1HD       ARG  66  -8.982  -6.939  -2.724
  492   2HD   ARG  66          2HD       ARG  66 -10.200  -8.159  -2.294
  493    HE   ARG  66           HE       ARG  66  -9.193  -7.173   0.133
  494   1HH1  ARG  66          1HH2      ARG  66 -11.112  -5.865  -2.538
  495   2HH1  ARG  66          2HH2      ARG  66 -11.567  -4.443  -1.676
  496   1HH2  ARG  66          1HH1      ARG  66  -9.562  -5.243   1.160
  497   2HH2  ARG  66          2HH1      ARG  66 -10.366  -3.919   0.349
  498    H    GLN  67           H        GLN  67  -7.028 -12.791  -1.544
  499    HA   GLN  67           HA       GLN  67  -4.223 -12.087  -1.946
  500   1HB   GLN  67          1HB       GLN  67  -5.052 -14.473  -1.575
  501   2HB   GLN  67          2HB       GLN  67  -5.737 -14.402  -3.215
  502   1HG   GLN  67          1HG       GLN  67  -3.451 -13.880  -4.107
  503   2HG   GLN  67          2HG       GLN  67  -2.813 -13.905  -2.467
  504   1HE2  GLN  67          2HE2      GLN  67  -1.294 -15.425  -3.483
  505   2HE2  GLN  67          1HE2      GLN  67  -1.737 -17.123  -3.586
  506    H    ILE  68           H        ILE  68  -3.285 -11.348  -3.691
  507    HA   ILE  68           HA       ILE  68  -4.856  -9.838  -5.535
  508    HB   ILE  68           HB       ILE  68  -2.531  -9.352  -4.719
  509   1HG1  ILE  68          1HG1      ILE  68  -2.797  -9.370  -7.760
  510   2HG1  ILE  68          2HG1      ILE  68  -3.695  -8.272  -6.704
  511   1HG2  ILE  68          1HG2      ILE  68  -1.583 -11.649  -5.063
  512   2HG2  ILE  68          2HG2      ILE  68  -1.579 -11.335  -6.807
  513   3HG2  ILE  68          3HG2      ILE  68  -0.602 -10.332  -5.712
  514   1HD1  ILE  68          1HD1      ILE  68  -1.565  -7.380  -5.820
  515   2HD1  ILE  68          2HD1      ILE  68  -0.669  -8.398  -6.975
  516   3HD1  ILE  68          3HD1      ILE  68  -1.754  -7.123  -7.564
  517    H    SER  69           H        SER  69  -5.147 -10.170  -7.723
  518    HA   SER  69           HA       SER  69  -4.562 -12.804  -8.920
  519   1HB   SER  69          1HB       SER  69  -6.902 -13.034  -9.632
  520   2HB   SER  69          2HB       SER  69  -6.830 -12.893  -7.857
  521    HG   SER  69           HG       SER  69  -8.439 -11.560  -8.655
  522    H    ARG  70           H        ARG  70  -4.770 -12.553 -11.428
  523    HA   ARG  70           HA       ARG  70  -3.780  -9.969 -12.232
  524   1HB   ARG  70          1HB       ARG  70  -3.305 -12.055 -13.509
  525   2HB   ARG  70          2HB       ARG  70  -4.994 -12.089 -14.055
  526   1HG   ARG  70          1HG       ARG  70  -4.703  -9.870 -15.119
  527   2HG   ARG  70          2HG       ARG  70  -3.045  -9.766 -14.524
  528   1HD   ARG  70          1HD       ARG  70  -4.068 -11.886 -16.460
  529   2HD   ARG  70          2HD       ARG  70  -3.329 -10.353 -16.926
  530    HE   ARG  70           HE       ARG  70  -1.676 -11.938 -15.117
  531   1HH1  ARG  70          1HH2      ARG  70  -2.245 -11.063 -18.545
  532   2HH1  ARG  70          2HH2      ARG  70  -1.010 -12.120 -19.126
  533   1HH2  ARG  70          1HH1      ARG  70   0.093 -13.044 -15.875
  534   2HH2  ARG  70          2HH1      ARG  70   0.395 -13.257 -17.575
  535    H    ARG  71           H        ARG  71  -7.095 -11.352 -12.061
  536    HA   ARG  71           HA       ARG  71  -8.387  -9.223 -13.393
  537   1HB   ARG  71          1HB       ARG  71  -9.395 -11.414 -12.651
  538   2HB   ARG  71          2HB       ARG  71  -9.485 -10.795 -11.003
  539   1HG   ARG  71          1HG       ARG  71 -10.738  -9.333 -13.363
  540   2HG   ARG  71          2HG       ARG  71 -11.568 -10.667 -12.579
  541   1HD   ARG  71          1HD       ARG  71 -11.811  -9.534 -10.525
  542   2HD   ARG  71          2HD       ARG  71 -10.660  -8.277 -10.929
  543    HE   ARG  71           HE       ARG  71 -13.448  -8.422 -11.669
  544   1HH1  ARG  71          1HH2      ARG  71 -10.317  -6.923 -12.566
  545   2HH1  ARG  71          2HH2      ARG  71 -11.062  -5.699 -13.535
  546   1HH2  ARG  71          1HH1      ARG  71 -14.387  -6.720 -12.871
  547   2HH2  ARG  71          2HH1      ARG  71 -13.408  -5.531 -13.639
  548    H    LEU  72           H        LEU  72  -7.365  -9.491  -9.925
  549    HA   LEU  72           HA       LEU  72  -8.360  -6.880  -9.246
  550   1HB   LEU  72          1HB       LEU  72  -6.280  -8.704  -8.024
  551   2HB   LEU  72          2HB       LEU  72  -6.468  -7.054  -7.437
  552    HG   LEU  72           HG       LEU  72  -8.864  -8.889  -7.657
  553   1HD1  LEU  72          1HD1      LEU  72  -7.233 -10.074  -6.265
  554   2HD1  LEU  72          2HD1      LEU  72  -6.979  -8.618  -5.270
  555   3HD1  LEU  72          3HD1      LEU  72  -8.544  -9.462  -5.258
  556   1HD2  LEU  72          1HD2      LEU  72  -9.359  -6.509  -7.296
  557   2HD2  LEU  72          2HD2      LEU  72  -9.786  -7.465  -5.879
  558   3HD2  LEU  72          3HD2      LEU  72  -8.294  -6.503  -5.858
  559    H    CYS  73           H        CYS  73  -5.061  -7.982 -10.369
  560    HA   CYS  73           HA       CYS  73  -3.851  -5.479 -10.349
  561   1HB   CYS  73          1HB       CYS  73  -3.549  -7.589 -12.532
  562   2HB   CYS  73          2HB       CYS  73  -2.434  -6.263 -12.197
  563    HG   CYS  73           HG       CYS  73  -3.328  -8.742 -10.164
  564    H    ARG  74           H        ARG  74  -5.999  -6.791 -12.964
  565    HA   ARG  74           HA       ARG  74  -5.820  -4.439 -14.601
  566   1HB   ARG  74          1HB       ARG  74  -7.860  -6.693 -14.410
  567   2HB   ARG  74          2HB       ARG  74  -7.918  -5.434 -15.644
  568   1HG   ARG  74          1HG       ARG  74  -5.791  -6.108 -16.581
  569   2HG   ARG  74          2HG       ARG  74  -5.515  -7.278 -15.277
  570   1HD   ARG  74          1HD       ARG  74  -7.491  -8.561 -15.960
  571   2HD   ARG  74          2HD       ARG  74  -7.838  -7.386 -17.247
  572    HE   ARG  74           HE       ARG  74  -5.289  -8.137 -17.847
  573   1HH1  ARG  74          1HH2      ARG  74  -8.330  -9.942 -17.413
  574   2HH1  ARG  74          2HH2      ARG  74  -7.861 -11.239 -18.445
  575   1HH2  ARG  74          1HH1      ARG  74  -4.629  -9.878 -19.122
  576   2HH2  ARG  74          2HH1      ARG  74  -5.725 -11.180 -19.489
  577    H    ASN  75           H        ASN  75  -7.797  -5.117 -11.744
  578    HA   ASN  75           HA       ASN  75  -9.954  -3.403 -12.450
  579   1HB   ASN  75          1HB       ASN  75 -10.046  -5.259 -10.742
  580   2HB   ASN  75          2HB       ASN  75  -9.089  -4.249  -9.667
  581   1HD2  ASN  75          2HD2      ASN  75 -10.458  -3.354  -8.098
  582   2HD2  ASN  75          1HD2      ASN  75 -12.065  -2.763  -8.426
  583    H    TYR  76           H        TYR  76  -6.785  -2.607 -11.192
  584    HA   TYR  76           HA       TYR  76  -7.740   0.158 -10.559
  585   1HB   TYR  76          1HB       TYR  76  -5.357  -1.092  -9.199
  586   2HB   TYR  76          2HB       TYR  76  -6.265   0.354  -8.760
  587    HD1  TYR  76           HD1      TYR  76  -8.105   0.236  -7.237
  588    HD2  TYR  76           HD2      TYR  76  -6.355  -3.364  -8.765
  589    HE1  TYR  76           HE1      TYR  76  -9.676  -1.095  -5.866
  590    HE2  TYR  76           HE2      TYR  76  -7.818  -4.714  -7.338
  591    HH   TYR  76           HH       TYR  76  -9.629  -4.690  -5.827
  592    H    ASP  77           H        ASP  77  -5.917   1.807 -10.891
  593    HA   ASP  77           HA       ASP  77  -4.570   1.056 -13.454
  594   1HB   ASP  77          1HB       ASP  77  -6.558   2.574 -13.526
  595   2HB   ASP  77          2HB       ASP  77  -5.627   3.761 -12.607
  596    H    LEU  78           H        LEU  78  -3.670   1.641 -10.324
  597    HA   LEU  78           HA       LEU  78  -0.946   2.100 -11.196
  598   1HB   LEU  78          1HB       LEU  78  -2.155   4.392 -10.638
  599   2HB   LEU  78          2HB       LEU  78  -1.989   3.899  -8.968
  600    HG   LEU  78           HG       LEU  78  -0.282   5.487  -9.861
  601   1HD1  LEU  78          1HD1      LEU  78   0.975   2.897  -8.880
  602   2HD1  LEU  78          2HD1      LEU  78   1.654   4.532  -8.790
  603   3HD1  LEU  78          3HD1      LEU  78   0.204   4.148  -7.872
  604   1HD2  LEU  78          1HD2      LEU  78   1.380   4.926 -11.405
  605   2HD2  LEU  78          2HD2      LEU  78   1.026   3.184 -11.339
  606   3HD2  LEU  78          3HD2      LEU  78  -0.101   4.305 -12.131
  607    H    ILE  79           H        ILE  79   0.360   0.802  -9.895
  608    HA   ILE  79           HA       ILE  79  -1.058  -0.612  -7.673
  609    HB   ILE  79           HB       ILE  79   0.893  -1.841  -9.641
  610   1HG1  ILE  79          1HG1      ILE  79  -1.015  -1.194 -11.007
  611   2HG1  ILE  79          2HG1      ILE  79  -0.861  -2.926 -10.847
  612   1HG2  ILE  79          1HG2      ILE  79  -1.022  -3.018  -7.595
  613   2HG2  ILE  79          2HG2      ILE  79  -0.114  -3.963  -8.792
  614   3HG2  ILE  79          3HG2      ILE  79   0.749  -3.036  -7.552
  615   1HD1  ILE  79          1HD1      ILE  79  -3.207  -2.157 -10.765
  616   2HD1  ILE  79          2HD1      ILE  79  -2.747  -3.028  -9.294
  617   3HD1  ILE  79          3HD1      ILE  79  -2.870  -1.253  -9.282
  618    H    LEU  80           H        LEU  80  -0.079  -0.022  -5.826
  619    HA   LEU  80           HA       LEU  80   2.791   0.722  -5.849
  620   1HB   LEU  80          1HB       LEU  80   0.646   0.950  -3.703
  621   2HB   LEU  80          2HB       LEU  80   2.334   1.357  -3.463
  622    HG   LEU  80           HG       LEU  80   1.214   3.374  -3.758
  623   1HD1  LEU  80          1HD1      LEU  80   2.240   4.402  -5.692
  624   2HD1  LEU  80          2HD1      LEU  80   3.371   3.211  -5.027
  625   3HD1  LEU  80          3HD1      LEU  80   2.442   2.839  -6.496
  626   1HD2  LEU  80          1HD2      LEU  80  -0.844   2.510  -4.742
  627   2HD2  LEU  80          2HD2      LEU  80  -0.266   3.997  -5.509
  628   3HD2  LEU  80          3HD2      LEU  80  -0.062   2.436  -6.330
  629    H    THR  81           H        THR  81   4.249  -0.192  -4.424
  630    HA   THR  81           HA       THR  81   3.601  -2.789  -3.125
  631    HB   THR  81           HB       THR  81   5.685  -3.693  -4.134
  632    HG1  THR  81           1HG      THR  81   5.641  -1.263  -5.609
  633   1HG2  THR  81          1HG2      THR  81   4.962  -4.116  -6.386
  634   2HG2  THR  81          2HG2      THR  81   3.508  -4.070  -5.372
  635   3HG2  THR  81          3HG2      THR  81   3.923  -2.677  -6.402
  636    H    MET  82           H        MET  82   5.709  -3.268  -1.588
  637    HA   MET  82           HA       MET  82   6.922  -0.654  -0.791
  638   1HB   MET  82          1HB       MET  82   5.732  -2.752   1.055
  639   2HB   MET  82          2HB       MET  82   6.596  -1.287   1.538
  640   1HG   MET  82          1HG       MET  82   4.857   0.025   0.180
  641   2HG   MET  82          2HG       MET  82   3.930  -1.480   0.123
  642   1HE   MET  82          1HE       MET  82   1.752   0.335   2.666
  643   2HE   MET  82          2HE       MET  82   2.451   0.937   1.143
  644   3HE   MET  82          3HE       MET  82   1.828  -0.729   1.248
  645    H    GLU  83           H        GLU  83   7.515  -3.860  -1.727
  646    HA   GLU  83           HA       GLU  83  10.367  -3.472  -1.017
  647   1HB   GLU  83          1HB       GLU  83   8.732  -6.019  -0.611
  648   2HB   GLU  83          2HB       GLU  83  10.497  -5.928  -0.557
  649   1HG   GLU  83          1HG       GLU  83  10.408  -4.398   1.361
  650   2HG   GLU  83          2HG       GLU  83   8.635  -4.395   1.311
  651    H    LYS  84           H        LYS  84  11.749  -4.332  -2.651
  652    HA   LYS  84           HA       LYS  84  10.537  -4.125  -5.267
  653   1HB   LYS  84          1HB       LYS  84  13.368  -4.765  -4.342
  654   2HB   LYS  84          2HB       LYS  84  12.915  -4.545  -6.042
  655   1HG   LYS  84          1HG       LYS  84  12.245  -2.264  -5.694
  656   2HG   LYS  84          2HG       LYS  84  12.293  -2.428  -3.943
  657   1HD   LYS  84          1HD       LYS  84  14.776  -2.769  -4.065
  658   2HD   LYS  84          2HD       LYS  84  14.694  -2.378  -5.802
  659   1HE   LYS  84          1HE       LYS  84  13.680  -0.187  -5.284
  660   2HE   LYS  84          2HE       LYS  84  13.588  -0.601  -3.570
  661   1HZ   LYS  84          1HZ       LYS  84  16.059  -0.090  -5.100
  662   2HZ   LYS  84          2HZ       LYS  84  15.408   0.796  -3.873
  663   3HZ   LYS  84          3HZ       LYS  84  16.050  -0.673  -3.568
  664    H    ARG  85           H        ARG  85  11.451  -6.884  -3.216
  665    HA   ARG  85           HA       ARG  85  11.193  -8.908  -5.181
  666   1HB   ARG  85          1HB       ARG  85  10.491 -10.388  -3.303
  667   2HB   ARG  85          2HB       ARG  85  12.002  -9.530  -3.025
  668   1HG   ARG  85          1HG       ARG  85  10.967  -8.002  -1.471
  669   2HG   ARG  85          2HG       ARG  85   9.344  -8.581  -1.875
  670   1HD   ARG  85          1HD       ARG  85   9.907 -10.806  -0.957
  671   2HD   ARG  85          2HD       ARG  85  11.518 -10.215  -0.511
  672    HE   ARG  85           HE       ARG  85  10.247  -8.449   0.873
  673   1HH1  ARG  85          1HH2      ARG  85   9.275 -11.856   0.619
  674   2HH1  ARG  85          2HH2      ARG  85   8.377 -11.833   2.089
  675   1HH2  ARG  85          1HH1      ARG  85   8.959  -8.346   2.656
  676   2HH2  ARG  85          2HH1      ARG  85   8.224  -9.779   3.323
  677    H    HIS  86           H        HIS  86   8.658  -6.885  -3.674
  678    HA   HIS  86           HA       HIS  86   6.508  -8.660  -4.548
  679   1HB   HIS  86          1HB       HIS  86   6.375  -5.715  -3.803
  680   2HB   HIS  86          2HB       HIS  86   5.017  -6.808  -3.983
  681    HD1  HIS  86           HD1      HIS  86   7.083  -8.956  -2.029
  682    HD2  HIS  86           HD2      HIS  86   5.077  -5.326  -1.356
  683    HE1  HIS  86           HE1      HIS  86   6.818  -8.729   0.497
  684    H    ILE  87           H        ILE  87   8.180  -5.716  -5.791
  685    HA   ILE  87           HA       ILE  87   6.516  -5.315  -8.047
  686    HB   ILE  87           HB       ILE  87   9.516  -4.792  -7.790
  687   1HG1  ILE  87          1HG1      ILE  87   7.140  -2.954  -7.326
  688   2HG1  ILE  87          2HG1      ILE  87   8.143  -3.651  -6.049
  689   1HG2  ILE  87          1HG2      ILE  87   8.761  -4.799 -10.157
  690   2HG2  ILE  87          2HG2      ILE  87   7.505  -3.609  -9.757
  691   3HG2  ILE  87          3HG2      ILE  87   9.228  -3.195  -9.637
  692   1HD1  ILE  87          1HD1      ILE  87   8.984  -1.568  -8.088
  693   2HD1  ILE  87          2HD1      ILE  87   8.826  -1.408  -6.337
  694   3HD1  ILE  87          3HD1      ILE  87  10.121  -2.421  -7.008
  695    H    GLU  88           H        GLU  88   9.524  -7.300  -7.640
  696    HA   GLU  88           HA       GLU  88   9.587  -8.239 -10.292
  697   1HB   GLU  88          1HB       GLU  88  10.560  -9.517  -7.701
  698   2HB   GLU  88          2HB       GLU  88  10.884 -10.189  -9.304
  699   1HG   GLU  88          1HG       GLU  88  11.991  -8.078  -9.985
  700   2HG   GLU  88          2HG       GLU  88  11.724  -7.409  -8.378
  701    H    ARG  89           H        ARG  89   7.968  -9.753  -7.427
  702    HA   ARG  89           HA       ARG  89   7.055 -12.035  -8.905
  703   1HB   ARG  89          1HB       ARG  89   6.104 -10.743  -6.309
  704   2HB   ARG  89          2HB       ARG  89   5.456 -12.267  -6.938
  705   1HG   ARG  89          1HG       ARG  89   7.655 -13.322  -6.860
  706   2HG   ARG  89          2HG       ARG  89   8.423 -11.806  -6.369
  707   1HD   ARG  89          1HD       ARG  89   7.133 -11.807  -4.271
  708   2HD   ARG  89          2HD       ARG  89   6.346 -13.330  -4.755
  709    HE   ARG  89           HE       ARG  89   9.212 -13.554  -4.825
  710   1HH1  ARG  89          1HH2      ARG  89   6.490 -13.554  -2.544
  711   2HH1  ARG  89          2HH2      ARG  89   7.313 -14.479  -1.344
  712   1HH2  ARG  89          1HH1      ARG  89  10.309 -14.783  -3.226
  713   2HH2  ARG  89          2HH1      ARG  89   9.535 -15.190  -1.743
  714    H    LEU  90           H        LEU  90   5.444  -8.896  -8.148
  715    HA   LEU  90           HA       LEU  90   2.944  -9.669  -9.290
  716   1HB   LEU  90          1HB       LEU  90   3.602  -7.758  -7.652
  717   2HB   LEU  90          2HB       LEU  90   3.916  -6.806  -9.101
  718    HG   LEU  90           HG       LEU  90   1.294  -8.161  -8.305
  719   1HD1  LEU  90          1HD1      LEU  90   1.982  -6.283  -6.838
  720   2HD1  LEU  90          2HD1      LEU  90   2.083  -5.222  -8.259
  721   3HD1  LEU  90          3HD1      LEU  90   0.523  -5.922  -7.768
  722   1HD2  LEU  90          1HD2      LEU  90   1.124  -7.970 -10.665
  723   2HD2  LEU  90          2HD2      LEU  90   0.278  -6.568 -10.036
  724   3HD2  LEU  90          3HD2      LEU  90   1.916  -6.377 -10.687
  725    H    CYS  91           H        CYS  91   5.799  -7.947 -10.679
  726    HA   CYS  91           HA       CYS  91   4.603  -7.335 -13.181
  727   1HB   CYS  91          1HB       CYS  91   7.508  -7.880 -12.411
  728   2HB   CYS  91          2HB       CYS  91   6.986  -7.284 -13.994
  729    HG   CYS  91           HG       CYS  91   6.617  -5.964 -11.005
  730    H    GLU  92           H        GLU  92   6.193 -10.377 -12.048
  731    HA   GLU  92           HA       GLU  92   5.939 -11.528 -14.688
  732   1HB   GLU  92          1HB       GLU  92   6.600 -12.789 -12.005
  733   2HB   GLU  92          2HB       GLU  92   6.642 -13.637 -13.554
  734   1HG   GLU  92          1HG       GLU  92   8.391 -11.279 -12.741
  735   2HG   GLU  92          2HG       GLU  92   8.892 -12.950 -12.927
  736    H    MET  93           H        MET  93   3.803 -11.394 -11.838
  737    HA   MET  93           HA       MET  93   1.994 -13.439 -12.844
  738   1HB   MET  93          1HB       MET  93   1.612 -11.190 -10.828
  739   2HB   MET  93          2HB       MET  93   0.357 -12.353 -11.267
  740   1HG   MET  93          1HG       MET  93   1.927 -14.213 -10.620
  741   2HG   MET  93          2HG       MET  93   3.012 -12.999  -9.954
  742   1HE   MET  93          1HE       MET  93   0.598 -10.919  -8.664
  743   2HE   MET  93          2HE       MET  93   0.832 -11.514  -7.009
  744   3HE   MET  93          3HE       MET  93   2.242 -11.276  -8.047
  745    H    ALA  94           H        ALA  94   2.320  -9.909 -13.347
  746    HA   ALA  94           HA       ALA  94   0.214 -10.106 -15.454
  747   1HB   ALA  94          1HB       ALA  94  -0.841  -9.247 -13.395
  748   2HB   ALA  94          2HB       ALA  94   0.380  -7.962 -13.296
  749   3HB   ALA  94          3HB       ALA  94  -0.765  -7.997 -14.654
  750    HA   PRO  95           HA       PRO  95   4.242  -8.161 -16.857
  751   1HB   PRO  95          1HB       PRO  95   3.455  -9.692 -19.333
  752   2HB   PRO  95          2HB       PRO  95   5.085  -9.433 -18.641
  753   1HG   PRO  95          1HG       PRO  95   3.814 -11.803 -18.296
  754   2HG   PRO  95          2HG       PRO  95   4.695 -11.051 -16.926
  755   1HD   PRO  95          1HD       PRO  95   1.724 -10.984 -17.510
  756   2HD   PRO  95          2HD       PRO  95   2.570 -11.318 -15.974
  757    H    GLU  96           H        GLU  96   1.062  -8.504 -18.437
  758    HA   GLU  96           HA       GLU  96   1.225  -6.432 -20.302
  759   1HB   GLU  96          1HB       GLU  96  -1.273  -6.491 -20.166
  760   2HB   GLU  96          2HB       GLU  96  -0.519  -8.072 -20.352
  761   1HG   GLU  96          1HG       GLU  96  -0.829  -8.554 -17.950
  762   2HG   GLU  96          2HG       GLU  96  -1.501  -6.950 -17.691
  763    H    MET  97           H        MET  97   1.214  -6.052 -16.847
  764    HA   MET  97           HA       MET  97   0.697  -3.128 -17.163
  765   1HB   MET  97          1HB       MET  97  -0.421  -5.009 -15.038
  766   2HB   MET  97          2HB       MET  97  -0.445  -3.243 -14.914
  767   1HG   MET  97          1HG       MET  97  -1.753  -3.079 -16.994
  768   2HG   MET  97          2HG       MET  97  -1.743  -4.833 -17.148
  769   1HE   MET  97          1HE       MET  97  -3.178  -1.722 -15.390
  770   2HE   MET  97          2HE       MET  97  -4.175  -2.386 -14.086
  771   3HE   MET  97          3HE       MET  97  -2.407  -2.444 -13.954
  772    H    ARG  98           H        ARG  98   3.172  -5.073 -16.774
  773    HA   ARG  98           HA       ARG  98   4.177  -4.714 -14.197
  774   1HB   ARG  98          1HB       ARG  98   6.345  -5.295 -15.073
  775   2HB   ARG  98          2HB       ARG  98   5.088  -6.284 -15.806
  776   1HG   ARG  98          1HG       ARG  98   5.242  -4.605 -17.806
  777   2HG   ARG  98          2HG       ARG  98   6.735  -4.049 -17.049
  778   1HD   ARG  98          1HD       ARG  98   6.106  -6.884 -17.988
  779   2HD   ARG  98          2HD       ARG  98   7.160  -5.734 -18.789
  780    HE   ARG  98           HE       ARG  98   8.745  -5.879 -16.987
  781   1HH1  ARG  98          1HH2      ARG  98   6.244  -8.463 -16.783
  782   2HH1  ARG  98          2HH2      ARG  98   7.377  -9.566 -16.035
  783   1HH2  ARG  98          1HH1      ARG  98  10.089  -7.479 -15.886
  784   2HH2  ARG  98          2HH1      ARG  98   9.371  -9.039 -15.530
  785    H    GLY  99           H        GLY  99   4.317  -2.337 -16.854
  786   1HA   GLY  99          1HA       GLY  99   6.189  -0.566 -15.665
  787   2HA   GLY  99          2HA       GLY  99   4.956  -0.149 -16.864
  788    H    LYS 100           H        LYS 100   2.759  -1.109 -14.895
  789    HA   LYS 100           HA       LYS 100   2.475   1.506 -13.551
  790   1HB   LYS 100          1HB       LYS 100   0.568  -0.846 -13.931
  791   2HB   LYS 100          2HB       LYS 100   0.158   0.651 -13.085
  792   1HG   LYS 100          1HG       LYS 100   0.584   1.981 -15.097
  793   2HG   LYS 100          2HG       LYS 100   1.055   0.528 -16.000
  794   1HD   LYS 100          1HD       LYS 100  -1.180  -0.417 -15.744
  795   2HD   LYS 100          2HD       LYS 100  -1.686   0.971 -14.752
  796   1HE   LYS 100          1HE       LYS 100  -1.147   2.492 -16.681
  797   2HE   LYS 100          2HE       LYS 100  -0.770   1.074 -17.667
  798   1HZ   LYS 100          1HZ       LYS 100  -3.424   1.750 -16.504
  799   2HZ   LYS 100          2HZ       LYS 100  -3.002   1.832 -18.077
  800   3HZ   LYS 100          3HZ       LYS 100  -3.103   0.374 -17.358
  801    H    VAL 101           H        VAL 101   3.919  -1.389 -12.693
  802    HA   VAL 101           HA       VAL 101   3.023  -1.358  -9.890
  803    HB   VAL 101           HB       VAL 101   5.186  -3.055 -11.203
  804   1HG1  VAL 101          1HG1      VAL 101   4.764  -4.557  -9.295
  805   2HG1  VAL 101          2HG1      VAL 101   5.265  -2.954  -8.737
  806   3HG1  VAL 101          3HG1      VAL 101   3.554  -3.420  -8.657
  807   1HG2  VAL 101          1HG2      VAL 101   3.530  -4.866 -11.348
  808   2HG2  VAL 101          2HG2      VAL 101   2.241  -3.768 -10.795
  809   3HG2  VAL 101          3HG2      VAL 101   3.035  -3.520 -12.363
  810    H    MET 102           H        MET 102   4.151  -0.143  -8.339
  811    HA   MET 102           HA       MET 102   6.950   0.665  -8.884
  812   1HB   MET 102          1HB       MET 102   4.649   2.653  -8.571
  813   2HB   MET 102          2HB       MET 102   6.353   3.072  -8.336
  814   1HG   MET 102          1HG       MET 102   6.825   2.184 -10.642
  815   2HG   MET 102          2HG       MET 102   5.083   2.066 -10.897
  816   1HE   MET 102          1HE       MET 102   3.549   3.999 -11.502
  817   2HE   MET 102          2HE       MET 102   3.717   4.490  -9.802
  818   3HE   MET 102          3HE       MET 102   3.873   5.701 -11.094
  819    H    LEU 103           H        LEU 103   7.954   1.716  -7.005
  820    HA   LEU 103           HA       LEU 103   7.146   0.314  -4.573
  821   1HB   LEU 103          1HB       LEU 103   9.554   0.635  -5.567
  822   2HB   LEU 103          2HB       LEU 103   9.446   2.274  -4.942
  823    HG   LEU 103           HG       LEU 103   8.997   1.236  -2.632
  824   1HD1  LEU 103          1HD1      LEU 103   8.334  -1.051  -3.328
  825   2HD1  LEU 103          2HD1      LEU 103   9.919  -1.294  -4.083
  826   3HD1  LEU 103          3HD1      LEU 103   9.792  -1.104  -2.326
  827   1HD2  LEU 103          1HD2      LEU 103  11.419   0.664  -2.319
  828   2HD2  LEU 103          2HD2      LEU 103  11.621   0.694  -4.085
  829   3HD2  LEU 103          3HD2      LEU 103  11.159   2.169  -3.208
  830    H    PHE 104           H        PHE 104   6.125   1.271  -2.809
  831    HA   PHE 104           HA       PHE 104   5.050   3.856  -3.041
  832   1HB   PHE 104          1HB       PHE 104   4.292   1.829  -1.608
  833   2HB   PHE 104          2HB       PHE 104   5.429   2.400  -0.396
  834    HD1  PHE 104           HD1      PHE 104   4.118   3.333   1.387
  835    HD2  PHE 104           HD2      PHE 104   2.971   4.107  -2.697
  836    HE1  PHE 104           HE1      PHE 104   2.186   4.690   2.165
  837    HE2  PHE 104           HE2      PHE 104   1.064   5.445  -1.925
  838    HZ   PHE 104           HZ       PHE 104   0.607   5.684   0.495
  839    H    GLY 105           H        GLY 105   7.997   2.696  -1.422
  840   1HA   GLY 105          1HA       GLY 105   8.658   5.260  -0.232
  841   2HA   GLY 105          2HA       GLY 105   9.675   3.817  -0.307
  842    H    HIS 106           H        HIS 106   8.389   4.922  -3.391
  843    HA   HIS 106           HA       HIS 106  10.873   5.304  -4.606
  844   1HB   HIS 106          1HB       HIS 106   8.930   4.939  -5.902
  845   2HB   HIS 106          2HB       HIS 106   8.118   6.367  -5.243
  846    HD1  HIS 106           HD1      HIS 106  11.030   5.498  -7.701
  847    HD2  HIS 106           HD2      HIS 106   8.481   8.648  -6.492
  848    HE1  HIS 106           HE1      HIS 106  11.399   7.401  -9.337
  849    H    TRP 107           H        TRP 107   8.758   7.763  -3.019
  850    HA   TRP 107           HA       TRP 107  10.535   9.941  -3.657
  851   1HB   TRP 107          1HB       TRP 107   8.481   9.970  -1.458
  852   2HB   TRP 107          2HB       TRP 107   8.991  11.276  -2.534
  853    HD1  TRP 107           HD1      TRP 107   6.464   8.567  -2.118
  854    HE1  TRP 107           HE1      TRP 107   4.784   8.589  -4.005
  855    HE3  TRP 107           HE3      TRP 107   8.822  11.861  -5.275
  856    HZ2  TRP 107           HZ2      TRP 107   4.431   9.893  -6.570
  857    HZ3  TRP 107           HZ3      TRP 107   7.762  12.483  -7.432
  858    HH2  TRP 107           HH2      TRP 107   5.553  11.516  -8.076
  859    H    ASP 108           H        ASP 108  11.301   7.468  -1.735
  860    HA   ASP 108           HA       ASP 108  12.957   9.171   0.068
  861   1HB   ASP 108          1HB       ASP 108  11.092   7.871   1.284
  862   2HB   ASP 108          2HB       ASP 108  11.903   6.395   0.773
  863    H    ASN 109           H        ASN 109  13.650   8.770  -2.455
  864    HA   ASN 109           HA       ASN 109  15.271   7.947  -3.813
  865   1HB   ASN 109          1HB       ASN 109  16.649   8.983  -2.081
  866   2HB   ASN 109          2HB       ASN 109  16.644   7.484  -1.152
  867   1HD2  ASN 109          2HD2      ASN 109  18.764   6.981  -1.174
  868   2HD2  ASN 109          1HD2      ASN 109  19.721   6.683  -2.610
  869    H    GLU 110           H        GLU 110  13.209   6.287  -3.575
  870    HA   GLU 110           HA       GLU 110  12.424   4.181  -3.667
  871   1HB   GLU 110          1HB       GLU 110  14.988   3.586  -5.168
  872   2HB   GLU 110          2HB       GLU 110  13.393   2.834  -5.357
  873   1HG   GLU 110          1HG       GLU 110  12.584   5.278  -5.860
  874   2HG   GLU 110          2HG       GLU 110  14.285   5.621  -6.142
  875    H    CYS 111           H        CYS 111  13.555   4.576  -1.172
  876    HA   CYS 111           HA       CYS 111  14.995   2.170  -0.390
  877   1HB   CYS 111          1HB       CYS 111  13.536   4.369   1.102
  878   2HB   CYS 111          2HB       CYS 111  14.199   2.940   1.932
  879    HG   CYS 111           HG       CYS 111  15.627   5.293   0.171
  880    H    GLU 112           H        GLU 112  14.191   0.268   0.319
  881    HA   GLU 112           HA       GLU 112  11.353  -0.374  -0.029
  882   1HB   GLU 112          1HB       GLU 112  13.707  -1.968   1.090
  883   2HB   GLU 112          2HB       GLU 112  12.093  -2.615   0.764
  884   1HG   GLU 112          1HG       GLU 112  12.340  -2.073  -1.633
  885   2HG   GLU 112          2HG       GLU 112  13.967  -1.450  -1.344
  886    H    ILE 113           H        ILE 113  10.210  -1.522   1.795
  887    HA   ILE 113           HA       ILE 113  10.671  -0.066   4.372
  888    HB   ILE 113           HB       ILE 113   8.072  -0.978   3.099
  889   1HG1  ILE 113          1HG1      ILE 113   9.329   1.803   3.216
  890   2HG1  ILE 113          2HG1      ILE 113   9.064   0.839   1.764
  891   1HG2  ILE 113          1HG2      ILE 113   7.996  -0.883   5.583
  892   2HG2  ILE 113          2HG2      ILE 113   8.492   0.825   5.519
  893   3HG2  ILE 113          3HG2      ILE 113   6.940   0.297   4.837
  894   1HD1  ILE 113          1HD1      ILE 113   6.595   0.994   2.132
  895   2HD1  ILE 113          2HD1      ILE 113   6.929   2.143   3.448
  896   3HD1  ILE 113          3HD1      ILE 113   7.411   2.532   1.795
  897    HA   PRO 114           HA       PRO 114  11.083  -4.260   5.934
  898   1HB   PRO 114          1HB       PRO 114  10.847  -3.844   8.643
  899   2HB   PRO 114          2HB       PRO 114  12.304  -3.413   7.695
  900   1HG   PRO 114          1HG       PRO 114  10.020  -1.613   8.532
  901   2HG   PRO 114          2HG       PRO 114  11.779  -1.298   8.656
  902   1HD   PRO 114          1HD       PRO 114  10.275  -0.320   6.607
  903   2HD   PRO 114          2HD       PRO 114  11.958  -0.865   6.343
  904    H    ASP 115           H        ASP 115   9.781  -5.895   7.122
  905    HA   ASP 115           HA       ASP 115   6.866  -5.423   6.763
  906   1HB   ASP 115          1HB       ASP 115   7.718  -7.266   5.532
  907   2HB   ASP 115          2HB       ASP 115   8.564  -7.912   6.941
  908    HA   PRO 116           HA       PRO 116   7.130  -5.090  11.252
  909   1HB   PRO 116          1HB       PRO 116   4.575  -4.353  11.843
  910   2HB   PRO 116          2HB       PRO 116   5.748  -3.245  11.082
  911   1HG   PRO 116          1HG       PRO 116   3.625  -4.935   9.716
  912   2HG   PRO 116          2HG       PRO 116   3.949  -3.186   9.494
  913   1HD   PRO 116          1HD       PRO 116   4.967  -5.060   7.801
  914   2HD   PRO 116          2HD       PRO 116   5.931  -3.625   8.259
  915    H    TYR 117           H        TYR 117   5.258  -7.421   9.467
  916    HA   TYR 117           HA       TYR 117   3.808  -9.054  10.133
  917   1HB   TYR 117          1HB       TYR 117   5.957  -9.930   9.426
  918   2HB   TYR 117          2HB       TYR 117   6.566  -9.883  11.070
  919    HD1  TYR 117           HD1      TYR 117   6.747 -12.049  11.991
  920    HD2  TYR 117           HD2      TYR 117   3.413 -11.159   9.387
  921    HE1  TYR 117           HE1      TYR 117   5.853 -14.325  12.360
  922    HE2  TYR 117           HE2      TYR 117   2.513 -13.431   9.757
  923    HH   TYR 117           HH       TYR 117   2.808 -15.480  10.832
  924    H    ARG 118           H        ARG 118   5.769  -9.865  12.989
  925    HA   ARG 118           HA       ARG 118   3.529  -8.990  14.760
  926   1HB   ARG 118          1HB       ARG 118   5.083 -11.601  14.994
  927   2HB   ARG 118          2HB       ARG 118   3.861 -11.027  16.115
  928   1HG   ARG 118          1HG       ARG 118   3.425 -12.017  13.290
  929   2HG   ARG 118          2HG       ARG 118   2.934 -12.767  14.798
  930   1HD   ARG 118          1HD       ARG 118   1.699 -10.457  13.337
  931   2HD   ARG 118          2HD       ARG 118   0.957 -11.913  13.935
  932    HE   ARG 118           HE       ARG 118   1.133 -11.048  16.222
  933   1HH1  ARG 118          1HH2      ARG 118   1.547  -8.606  13.655
  934   2HH1  ARG 118          2HH2      ARG 118   0.451  -7.490  14.412
  935   1HH2  ARG 118          1HH1      ARG 118   0.146  -9.303  17.417
  936   2HH2  ARG 118          2HH1      ARG 118   0.063  -7.721  16.702
  937    H    LYS 119           H        LYS 119   6.080  -7.709  14.007
  938    HA   LYS 119           HA       LYS 119   7.885  -7.912  16.287
  939   1HB   LYS 119          1HB       LYS 119   7.607  -5.781  14.116
  940   2HB   LYS 119          2HB       LYS 119   8.960  -5.946  15.239
  941   1HG   LYS 119          1HG       LYS 119   9.505  -8.170  14.302
  942   2HG   LYS 119          2HG       LYS 119   8.161  -8.037  13.157
  943   1HD   LYS 119          1HD       LYS 119   9.197  -5.990  12.193
  944   2HD   LYS 119          2HD       LYS 119  10.602  -6.215  13.247
  945   1HE   LYS 119          1HE       LYS 119   9.589  -8.209  11.162
  946   2HE   LYS 119          2HE       LYS 119  10.894  -7.056  10.899
  947   1HZ   LYS 119          1HZ       LYS 119  11.774  -9.208  11.477
  948   2HZ   LYS 119          2HZ       LYS 119  12.155  -8.157  12.659
  949   3HZ   LYS 119          3HZ       LYS 119  10.960  -9.254  12.885
  950    H    SER 120           H        SER 120   8.365  -5.658  17.396
  951    HA   SER 120           HA       SER 120   6.269  -5.298  19.199
  952   1HB   SER 120          1HB       SER 120   8.563  -3.374  18.636
  953   2HB   SER 120          2HB       SER 120   7.707  -3.599  20.174
  954    HG   SER 120           HG       SER 120   9.705  -4.725  20.120
  955    H    ARG 121           H        ARG 121   5.038  -3.358  19.781
  956    HA   ARG 121           HA       ARG 121   3.622  -2.179  17.637
  957   1HB   ARG 121          1HB       ARG 121   2.938  -2.438  20.080
  958   2HB   ARG 121          2HB       ARG 121   3.932  -1.016  20.437
  959   1HG   ARG 121          1HG       ARG 121   2.527   0.291  18.787
  960   2HG   ARG 121          2HG       ARG 121   1.522  -1.146  18.564
  961   1HD   ARG 121          1HD       ARG 121   1.944   0.426  21.142
  962   2HD   ARG 121          2HD       ARG 121   0.485   0.430  20.159
  963    HE   ARG 121           HE       ARG 121   1.368  -1.566  22.093
  964   1HH1  ARG 121          1HH2      ARG 121  -0.822  -1.020  19.371
  965   2HH1  ARG 121          2HH2      ARG 121  -1.914  -2.295  19.805
  966   1HH2  ARG 121          1HH1      ARG 121  -0.039  -3.286  22.648
  967   2HH2  ARG 121          2HH1      ARG 121  -1.431  -3.628  21.695
  968    H    GLU 122           H        GLU 122   6.560  -1.073  19.360
  969    HA   GLU 122           HA       GLU 122   6.702   1.516  18.221
  970   1HB   GLU 122          1HB       GLU 122   8.079   0.598  20.116
  971   2HB   GLU 122          2HB       GLU 122   8.961  -0.395  18.963
  972   1HG   GLU 122          1HG       GLU 122  10.253   1.581  19.537
  973   2HG   GLU 122          2HG       GLU 122   9.822   1.620  17.835
  974    H    THR 123           H        THR 123   7.552  -1.697  16.855
  975    HA   THR 123           HA       THR 123   8.928  -0.599  14.549
  976    HB   THR 123           HB       THR 123   7.593  -3.321  14.708
  977    HG1  THR 123           1HG      THR 123  10.033  -2.522  15.922
  978   1HG2  THR 123          1HG2      THR 123   8.633  -2.781  12.573
  979   2HG2  THR 123          2HG2      THR 123  10.139  -2.292  13.381
  980   3HG2  THR 123          3HG2      THR 123   9.621  -3.987  13.415
  981    H    PHE 124           H        PHE 124   5.546  -1.703  15.271
  982    HA   PHE 124           HA       PHE 124   4.525  -1.157  12.656
  983   1HB   PHE 124          1HB       PHE 124   3.269  -1.350  15.401
  984   2HB   PHE 124          2HB       PHE 124   2.350  -0.723  14.047
  985    HD1  PHE 124           HD1      PHE 124   1.520  -2.078  12.278
  986    HD2  PHE 124           HD2      PHE 124   4.082  -3.783  15.306
  987    HE1  PHE 124           HE1      PHE 124   0.919  -4.361  11.517
  988    HE2  PHE 124           HE2      PHE 124   3.481  -6.057  14.525
  989    HZ   PHE 124           HZ       PHE 124   1.891  -6.342  12.627
  990    H    ALA 125           H        ALA 125   5.011   1.014  15.506
  991    HA   ALA 125           HA       ALA 125   3.817   3.301  14.285
  992   1HB   ALA 125          1HB       ALA 125   4.264   3.109  16.710
  993   2HB   ALA 125          2HB       ALA 125   6.013   3.195  16.393
  994   3HB   ALA 125          3HB       ALA 125   4.974   4.578  16.010
  995    H    ALA 126           H        ALA 126   7.229   2.114  14.245
  996    HA   ALA 126           HA       ALA 126   8.286   4.300  12.765
  997   1HB   ALA 126          1HB       ALA 126  10.132   2.762  12.225
  998   2HB   ALA 126          2HB       ALA 126   9.685   2.632  13.938
  999   3HB   ALA 126          3HB       ALA 126   9.176   1.377  12.785
 1000    H    VAL 127           H        VAL 127   6.934   1.140  11.636
 1001    HA   VAL 127           HA       VAL 127   7.229   1.708   8.861
 1002    HB   VAL 127           HB       VAL 127   5.427  -0.186  10.419
 1003   1HG1  VAL 127          1HG1      VAL 127   5.858  -0.080   7.400
 1004   2HG1  VAL 127          2HG1      VAL 127   5.068  -1.396   8.290
 1005   3HG1  VAL 127          3HG1      VAL 127   4.319   0.201   8.256
 1006   1HG2  VAL 127          1HG2      VAL 127   7.925  -0.633   8.715
 1007   2HG2  VAL 127          2HG2      VAL 127   7.898  -0.633  10.488
 1008   3HG2  VAL 127          3HG2      VAL 127   7.034  -1.885   9.595
 1009    H    TYR 128           H        TYR 128   4.419   2.299  11.113
 1010    HA   TYR 128           HA       TYR 128   2.711   3.459   9.207
 1011   1HB   TYR 128          1HB       TYR 128   1.900   2.980  11.414
 1012   2HB   TYR 128          2HB       TYR 128   3.096   4.027  12.164
 1013    HD1  TYR 128           HD1      TYR 128  -0.194   3.933  10.522
 1014    HD2  TYR 128           HD2      TYR 128   2.949   6.504  11.991
 1015    HE1  TYR 128           HE1      TYR 128  -1.680   5.905  10.259
 1016    HE2  TYR 128           HE2      TYR 128   1.503   8.471  11.662
 1017    HH   TYR 128           HH       TYR 128  -0.375   9.225  10.620
 1018    H    THR 129           H        THR 129   5.426   5.013  11.051
 1019    HA   THR 129           HA       THR 129   4.914   7.643  10.022
 1020    HB   THR 129           HB       THR 129   7.541   6.424  10.983
 1021    HG1  THR 129           1HG      THR 129   5.964   6.138  12.551
 1022   1HG2  THR 129          1HG2      THR 129   7.854   8.639   9.956
 1023   2HG2  THR 129          2HG2      THR 129   6.539   9.308  10.946
 1024   3HG2  THR 129          3HG2      THR 129   8.043   8.743  11.711
 1025    H    LEU 130           H        LEU 130   6.989   4.962   8.783
 1026    HA   LEU 130           HA       LEU 130   8.108   6.413   6.606
 1027   1HB   LEU 130          1HB       LEU 130   8.569   3.979   7.646
 1028   2HB   LEU 130          2HB       LEU 130   7.439   3.461   6.419
 1029    HG   LEU 130           HG       LEU 130   9.605   3.140   5.564
 1030   1HD1  LEU 130          1HD1      LEU 130   8.817   5.762   4.244
 1031   2HD1  LEU 130          2HD1      LEU 130   9.751   4.427   3.553
 1032   3HD1  LEU 130          3HD1      LEU 130   8.034   4.202   3.911
 1033   1HD2  LEU 130          1HD2      LEU 130  10.833   4.590   7.138
 1034   2HD2  LEU 130          2HD2      LEU 130  11.368   4.833   5.469
 1035   3HD2  LEU 130          3HD2      LEU 130  10.309   6.029   6.240
 1036    H    LEU 131           H        LEU 131   5.171   4.362   6.845
 1037    HA   LEU 131           HA       LEU 131   4.318   4.706   4.142
 1038   1HB   LEU 131          1HB       LEU 131   3.025   3.789   6.718
 1039   2HB   LEU 131          2HB       LEU 131   1.995   4.228   5.363
 1040    HG   LEU 131           HG       LEU 131   3.060   2.627   3.893
 1041   1HD1  LEU 131          1HD1      LEU 131   4.637   1.647   6.299
 1042   2HD1  LEU 131          2HD1      LEU 131   4.604   0.919   4.688
 1043   3HD1  LEU 131          3HD1      LEU 131   5.335   2.511   4.923
 1044   1HD2  LEU 131          1HD2      LEU 131   1.099   1.992   5.241
 1045   2HD2  LEU 131          2HD2      LEU 131   2.165   0.607   4.990
 1046   3HD2  LEU 131          3HD2      LEU 131   2.157   1.439   6.558
 1047    H    GLU 132           H        GLU 132   3.594   6.596   7.132
 1048    HA   GLU 132           HA       GLU 132   1.625   8.276   5.957
 1049   1HB   GLU 132          1HB       GLU 132   1.955   8.043   8.366
 1050   2HB   GLU 132          2HB       GLU 132   3.572   8.755   8.257
 1051   1HG   GLU 132          1HG       GLU 132   2.613  10.905   7.560
 1052   2HG   GLU 132          2HG       GLU 132   1.005  10.180   7.489
 1053    H    ARG 133           H        ARG 133   5.210   8.611   6.177
 1054    HA   ARG 133           HA       ARG 133   5.328  11.142   4.857
 1055   1HB   ARG 133          1HB       ARG 133   7.193   9.127   5.825
 1056   2HB   ARG 133          2HB       ARG 133   7.592   9.433   4.141
 1057   1HG   ARG 133          1HG       ARG 133   7.399  11.942   4.749
 1058   2HG   ARG 133          2HG       ARG 133   7.438  11.379   6.438
 1059   1HD   ARG 133          1HD       ARG 133   9.698  11.987   5.774
 1060   2HD   ARG 133          2HD       ARG 133   9.621  10.220   5.907
 1061    HE   ARG 133           HE       ARG 133   9.052  11.262   3.225
 1062   1HH1  ARG 133          1HH2      ARG 133  11.728  10.143   5.341
 1063   2HH1  ARG 133          2HH2      ARG 133  12.678   9.637   3.956
 1064   1HH2  ARG 133          1HH1      ARG 133  10.385  10.658   1.539
 1065   2HH2  ARG 133          2HH1      ARG 133  11.997  10.023   1.874
 1066    H    SER 134           H        SER 134   5.695   7.861   3.619
 1067    HA   SER 134           HA       SER 134   6.102   8.474   0.911
 1068   1HB   SER 134          1HB       SER 134   4.714   6.011   2.060
 1069   2HB   SER 134          2HB       SER 134   5.479   6.144   0.466
 1070    HG   SER 134           HG       SER 134   6.687   6.211   3.040
 1071    H    ALA 135           H        ALA 135   3.004   7.762   2.614
 1072    HA   ALA 135           HA       ALA 135   1.333   8.035   0.339
 1073   1HB   ALA 135          1HB       ALA 135  -0.482   8.306   2.016
 1074   2HB   ALA 135          2HB       ALA 135   0.597   6.961   2.439
 1075   3HB   ALA 135          3HB       ALA 135   0.739   8.504   3.295
 1076    H    ARG 136           H        ARG 136   2.578  10.512   2.670
 1077    HA   ARG 136           HA       ARG 136   0.896  12.613   1.616
 1078   1HB   ARG 136          1HB       ARG 136   2.076  12.562   3.861
 1079   2HB   ARG 136          2HB       ARG 136   3.595  12.885   3.022
 1080   1HG   ARG 136          1HG       ARG 136   2.679  15.012   2.145
 1081   2HG   ARG 136          2HG       ARG 136   1.116  14.674   2.902
 1082   1HD   ARG 136          1HD       ARG 136   3.758  15.062   4.376
 1083   2HD   ARG 136          2HD       ARG 136   2.478  16.280   4.205
 1084    HE   ARG 136           HE       ARG 136   1.329  13.934   5.302
 1085   1HH1  ARG 136          1HH2      ARG 136   3.577  16.493   6.317
 1086   2HH1  ARG 136          2HH2      ARG 136   3.238  16.304   7.996
 1087   1HH2  ARG 136          1HH1      ARG 136   0.900  13.663   7.468
 1088   2HH2  ARG 136          2HH1      ARG 136   1.646  14.655   8.680
 1089    H    GLN 137           H        GLN 137   4.243  11.477   0.869
 1090    HA   GLN 137           HA       GLN 137   4.722  13.525  -1.057
 1091   1HB   GLN 137          1HB       GLN 137   6.020  10.803  -0.646
 1092   2HB   GLN 137          2HB       GLN 137   6.576  12.025  -1.808
 1093   1HG   GLN 137          1HG       GLN 137   6.898  13.656   0.013
 1094   2HG   GLN 137          2HG       GLN 137   6.368  12.467   1.200
 1095   1HE2  GLN 137          2HE2      GLN 137   9.028  13.423  -0.945
 1096   2HE2  GLN 137          1HE2      GLN 137  10.168  12.221  -0.388
 1097    H    TRP 138           H        TRP 138   3.371  10.171  -1.432
 1098    HA   TRP 138           HA       TRP 138   2.943  10.377  -4.226
 1099   1HB   TRP 138          1HB       TRP 138   1.594   8.772  -2.046
 1100   2HB   TRP 138          2HB       TRP 138   0.911   8.820  -3.665
 1101    HD1  TRP 138           HD1      TRP 138   3.691   7.218  -1.727
 1102    HE1  TRP 138           HE1      TRP 138   5.228   5.872  -3.201
 1103    HE3  TRP 138           HE3      TRP 138   1.710   8.493  -6.274
 1104    HZ2  TRP 138           HZ2      TRP 138   5.516   5.281  -6.052
 1105    HZ3  TRP 138           HZ3      TRP 138   2.655   7.531  -8.356
 1106    HH2  TRP 138           HH2      TRP 138   4.573   5.950  -8.252
 1107    H    ALA 139           H        ALA 139   0.715  11.365  -1.506
 1108    HA   ALA 139           HA       ALA 139  -1.304  12.362  -3.175
 1109   1HB   ALA 139          1HB       ALA 139  -1.986  13.696  -1.229
 1110   2HB   ALA 139          2HB       ALA 139  -1.550  12.045  -0.751
 1111   3HB   ALA 139          3HB       ALA 139  -0.428  13.392  -0.445
 1112    H    GLN 140           H        GLN 140   1.688  14.046  -2.040
 1113    HA   GLN 140           HA       GLN 140   1.030  16.579  -3.084
 1114   1HB   GLN 140          1HB       GLN 140   2.827  16.204  -1.484
 1115   2HB   GLN 140          2HB       GLN 140   3.724  15.233  -2.651
 1116   1HG   GLN 140          1HG       GLN 140   4.729  17.412  -2.447
 1117   2HG   GLN 140          2HG       GLN 140   4.090  17.213  -4.068
 1118   1HE2  GLN 140          2HE2      GLN 140   2.096  18.402  -4.649
 1119   2HE2  GLN 140          1HE2      GLN 140   1.669  19.854  -3.754
 1120    H    ALA 141           H        ALA 141   2.411  13.702  -4.745
 1121    HA   ALA 141           HA       ALA 141   2.837  15.201  -7.234
 1122   1HB   ALA 141          1HB       ALA 141   4.252  13.283  -6.658
 1123   2HB   ALA 141          2HB       ALA 141   2.833  12.206  -6.652
 1124   3HB   ALA 141          3HB       ALA 141   3.353  12.985  -8.162
 1125    H    LEU 142           H        LEU 142   0.503  12.738  -6.049
 1126    HA   LEU 142           HA       LEU 142  -1.109  12.532  -8.341
 1127   1HB   LEU 142          1HB       LEU 142  -1.731  12.268  -5.383
 1128   2HB   LEU 142          2HB       LEU 142  -2.940  11.920  -6.605
 1129    HG   LEU 142           HG       LEU 142  -0.242  10.503  -6.536
 1130   1HD1  LEU 142          1HD1      LEU 142  -1.440  10.081  -4.418
 1131   2HD1  LEU 142          2HD1      LEU 142  -2.886   9.586  -5.324
 1132   3HD1  LEU 142          3HD1      LEU 142  -1.392   8.631  -5.429
 1133   1HD2  LEU 142          1HD2      LEU 142  -1.447  10.380  -8.700
 1134   2HD2  LEU 142          2HD2      LEU 142  -1.382   8.808  -7.897
 1135   3HD2  LEU 142          3HD2      LEU 142  -2.884   9.751  -7.863
 1136    H    ASN 143           H        ASN 143  -1.273  14.940  -5.714
 1137    HA   ASN 143           HA       ASN 143  -3.544  16.371  -6.419
 1138   1HB   ASN 143          1HB       ASN 143  -2.260  16.827  -4.409
 1139   2HB   ASN 143          2HB       ASN 143  -0.853  17.303  -5.357
 1140   1HD2  ASN 143          2HD2      ASN 143  -0.580  19.494  -5.611
 1141   2HD2  ASN 143          1HD2      ASN 143  -1.857  20.676  -5.508
 1142    H    ALA 144           H        ALA 144  -0.453  16.296  -8.182
 1143    HA   ALA 144           HA       ALA 144  -1.380  18.520  -9.885
 1144   1HB   ALA 144          1HB       ALA 144   0.854  18.805  -8.795
 1145   2HB   ALA 144          2HB       ALA 144   1.410  17.315  -9.593
 1146   3HB   ALA 144          3HB       ALA 144   0.993  18.744 -10.562
 1147    H    GLU 145           H        GLU 145  -1.978  15.630  -9.851
 1148    HA   GLU 145           HA       GLU 145  -2.343  13.849 -11.230
 1149   1HB   GLU 145          1HB       GLU 145  -4.251  14.432 -12.619
 1150   2HB   GLU 145          2HB       GLU 145  -4.282  15.297 -11.090
 1151   1HG   GLU 145          1HG       GLU 145  -3.502  17.359 -12.178
 1152   2HG   GLU 145          2HG       GLU 145  -3.317  16.517 -13.716
 1153    H    GLN 146           H        GLN 146   0.244  14.797 -12.093
 1154    HA   GLN 146           HA       GLN 146   0.291  14.285 -14.954
 1155   1HB   GLN 146          1HB       GLN 146   2.635  14.376 -14.848
 1156   2HB   GLN 146          2HB       GLN 146   2.075  15.648 -13.779
 1157   1HG   GLN 146          1HG       GLN 146   3.134  12.914 -12.890
 1158   2HG   GLN 146          2HG       GLN 146   4.058  14.403 -12.942
 1159   1HE2  GLN 146          2HE2      GLN 146   1.285  12.802 -11.315
 1160   2HE2  GLN 146          1HE2      GLN 146   1.297  13.882  -9.913
 1161    H    VAL 147           H        VAL 147   1.223  12.387 -15.891
 1162    HA   VAL 147           HA       VAL 147   0.857   9.869 -14.408
 1163    HB   VAL 147           HB       VAL 147  -0.616   9.121 -16.331
 1164   1HG1  VAL 147          1HG1      VAL 147  -1.523   9.694 -14.075
 1165   2HG1  VAL 147          2HG1      VAL 147  -1.802  11.357 -14.627
 1166   3HG1  VAL 147          3HG1      VAL 147  -2.669  10.006 -15.385
 1167   1HG2  VAL 147          1HG2      VAL 147  -0.966  12.125 -16.848
 1168   2HG2  VAL 147          2HG2      VAL 147  -0.148  10.981 -17.937
 1169   3HG2  VAL 147          3HG2      VAL 147  -1.874  10.802 -17.608
  Start of MODEL    6
    1    H    MET   1           H        MET   1  -3.250  10.112 -15.408
    2    HA   MET   1           HA       MET   1  -3.317  10.796 -13.130
    3   1HB   MET   1          1HB       MET   1  -4.860  12.837 -13.853
    4   2HB   MET   1          2HB       MET   1  -6.175  11.735 -13.456
    5   1HG   MET   1          1HG       MET   1  -3.892  12.625 -11.650
    6   2HG   MET   1          2HG       MET   1  -5.554  13.194 -11.592
    7   1HE   MET   1          1HE       MET   1  -3.960  12.412  -9.100
    8   2HE   MET   1          2HE       MET   1  -5.661  12.914  -9.044
    9   3HE   MET   1          3HE       MET   1  -5.142  11.448  -8.178
   10    H    PHE   2           H        PHE   2  -3.448   8.807 -12.222
   11    HA   PHE   2           HA       PHE   2  -4.764   6.685 -13.513
   12   1HB   PHE   2          1HB       PHE   2  -3.851   6.638 -10.619
   13   2HB   PHE   2          2HB       PHE   2  -3.923   5.306 -11.755
   14    HD1  PHE   2           HD1      PHE   2  -2.200   5.130 -13.596
   15    HD2  PHE   2           HD2      PHE   2  -1.977   8.156 -10.527
   16    HE1  PHE   2           HE1      PHE   2   0.177   5.541 -14.169
   17    HE2  PHE   2           HE2      PHE   2   0.387   8.560 -11.100
   18    HZ   PHE   2           HZ       PHE   2   1.483   7.252 -12.921
   19    H    ASN   3           H        ASN   3  -5.624   8.455 -10.585
   20    HA   ASN   3           HA       ASN   3  -7.182   8.425  -9.069
   21   1HB   ASN   3          1HB       ASN   3  -8.509   9.391 -10.866
   22   2HB   ASN   3          2HB       ASN   3  -9.089   7.785 -11.320
   23   1HD2  ASN   3          2HD2      ASN   3  -8.984  10.066  -8.482
   24   2HD2  ASN   3          1HD2      ASN   3 -10.456   9.471  -7.749
   25    H    ASN   4           H        ASN   4  -6.752   5.362 -10.625
   26    HA   ASN   4           HA       ASN   4  -8.339   3.953  -8.510
   27   1HB   ASN   4          1HB       ASN   4  -7.725   3.125 -11.394
   28   2HB   ASN   4          2HB       ASN   4  -8.640   2.188 -10.222
   29   1HD2  ASN   4          2HD2      ASN   4  -8.671   5.219 -12.157
   30   2HD2  ASN   4          1HD2      ASN   4 -10.418   5.353 -12.177
   31    H    ILE   5           H        ILE   5  -6.871   3.143  -7.062
   32    HA   ILE   5           HA       ILE   5  -4.264   2.149  -8.127
   33    HB   ILE   5           HB       ILE   5  -4.835   3.913  -5.721
   34   1HG1  ILE   5          1HG1      ILE   5  -3.601   4.498  -8.443
   35   2HG1  ILE   5          2HG1      ILE   5  -5.051   5.205  -7.740
   36   1HG2  ILE   5          1HG2      ILE   5  -2.942   2.409  -5.225
   37   2HG2  ILE   5          2HG2      ILE   5  -2.152   2.922  -6.733
   38   3HG2  ILE   5          3HG2      ILE   5  -2.401   4.058  -5.381
   39   1HD1  ILE   5          1HD1      ILE   5  -3.364   6.845  -7.703
   40   2HD1  ILE   5          2HD1      ILE   5  -3.675   6.333  -6.027
   41   3HD1  ILE   5          3HD1      ILE   5  -2.210   5.777  -6.889
   42    H    LEU   6           H        LEU   6  -3.288   0.442  -7.025
   43    HA   LEU   6           HA       LEU   6  -4.858  -0.867  -4.827
   44   1HB   LEU   6          1HB       LEU   6  -5.167  -2.071  -6.954
   45   2HB   LEU   6          2HB       LEU   6  -3.424  -2.131  -7.193
   46    HG   LEU   6           HG       LEU   6  -3.202  -3.585  -5.185
   47   1HD1  LEU   6          1HD1      LEU   6  -5.268  -4.695  -4.297
   48   2HD1  LEU   6          2HD1      LEU   6  -5.162  -2.989  -3.890
   49   3HD1  LEU   6          3HD1      LEU   6  -6.251  -3.514  -5.191
   50   1HD2  LEU   6          1HD2      LEU   6  -5.138  -4.627  -7.291
   51   2HD2  LEU   6          2HD2      LEU   6  -3.370  -4.578  -7.429
   52   3HD2  LEU   6          3HD2      LEU   6  -4.124  -5.615  -6.216
   53    H    VAL   7           H        VAL   7  -3.560  -1.544  -3.103
   54    HA   VAL   7           HA       VAL   7  -0.605  -1.339  -3.448
   55    HB   VAL   7           HB       VAL   7  -2.141  -0.827  -0.875
   56   1HG1  VAL   7          1HG1      VAL   7   0.764  -0.345  -1.710
   57   2HG1  VAL   7          2HG1      VAL   7   0.048   0.160  -0.169
   58   3HG1  VAL   7          3HG1      VAL   7   0.185  -1.558  -0.546
   59   1HG2  VAL   7          1HG2      VAL   7  -1.016   1.213  -2.851
   60   2HG2  VAL   7          2HG2      VAL   7  -2.722   0.997  -2.401
   61   3HG2  VAL   7          3HG2      VAL   7  -1.571   1.582  -1.203
   62    H    VAL   8           H        VAL   8   0.567  -3.114  -2.856
   63    HA   VAL   8           HA       VAL   8  -0.957  -5.454  -1.805
   64    HB   VAL   8           HB       VAL   8   1.110  -5.470  -4.037
   65   1HG1  VAL   8          1HG1      VAL   8   0.788  -7.608  -2.757
   66   2HG1  VAL   8          2HG1      VAL   8  -0.941  -7.569  -3.213
   67   3HG1  VAL   8          3HG1      VAL   8   0.324  -7.739  -4.436
   68   1HG2  VAL   8          1HG2      VAL   8  -1.929  -5.479  -4.288
   69   2HG2  VAL   8          2HG2      VAL   8  -0.806  -4.252  -4.924
   70   3HG2  VAL   8          3HG2      VAL   8  -0.798  -5.869  -5.602
   71    H    CYS   9           H        CYS   9   0.077  -6.622  -0.203
   72    HA   CYS   9           HA       CYS   9   3.031  -6.287   0.146
   73   1HB   CYS   9          1HB       CYS   9   1.045  -6.210   2.457
   74   2HB   CYS   9          2HB       CYS   9   2.791  -5.921   2.515
   75    HG   CYS   9           HG       CYS   9   0.296  -4.166   1.380
   76    H    VAL  10           H        VAL  10   3.643  -7.935   2.145
   77    HA   VAL  10           HA       VAL  10   2.212 -10.519   1.562
   78    HB   VAL  10           HB       VAL  10   4.127 -11.638   2.674
   79   1HG1  VAL  10          1HG1      VAL  10   4.631 -10.155   0.071
   80   2HG1  VAL  10          2HG1      VAL  10   5.611 -11.520   0.660
   81   3HG1  VAL  10          3HG1      VAL  10   3.901 -11.754   0.291
   82   1HG2  VAL  10          1HG2      VAL  10   6.317 -10.555   2.795
   83   2HG2  VAL  10          2HG2      VAL  10   5.608  -9.001   2.331
   84   3HG2  VAL  10          3HG2      VAL  10   5.165  -9.763   3.875
   85    H    GLY  11           H        GLY  11   1.362 -11.605   3.415
   86   1HA   GLY  11          1HA       GLY  11   0.464 -11.691   5.566
   87   2HA   GLY  11          2HA       GLY  11   1.289 -10.180   5.992
   88    H    ASN  12           H        ASN  12   0.420  -8.540   3.870
   89    HA   ASN  12           HA       ASN  12  -1.186  -7.141   3.181
   90   1HB   ASN  12          1HB       ASN  12  -2.311  -8.979   2.140
   91   2HB   ASN  12          2HB       ASN  12  -3.100  -9.441   3.641
   92   1HD2  ASN  12          2HD2      ASN  12  -3.607  -6.220   3.981
   93   2HD2  ASN  12          1HD2      ASN  12  -5.211  -6.286   3.306
   94    H    ILE  13           H        ILE  13  -2.520  -8.840   6.071
   95    HA   ILE  13           HA       ILE  13  -4.212  -6.817   6.884
   96    HB   ILE  13           HB       ILE  13  -4.277  -7.945   9.038
   97   1HG1  ILE  13          1HG1      ILE  13  -1.925  -9.680   8.151
   98   2HG1  ILE  13          2HG1      ILE  13  -1.772  -8.337   9.276
   99   1HG2  ILE  13          1HG2      ILE  13  -5.415  -8.926   7.056
  100   2HG2  ILE  13          2HG2      ILE  13  -4.014  -9.987   6.775
  101   3HG2  ILE  13          3HG2      ILE  13  -4.975 -10.136   8.255
  102   1HD1  ILE  13          1HD1      ILE  13  -3.444  -9.440  10.792
  103   2HD1  ILE  13          2HD1      ILE  13  -3.400 -10.864   9.729
  104   3HD1  ILE  13          3HD1      ILE  13  -1.934 -10.339  10.573
  105    H    CYS  14           H        CYS  14  -0.816  -6.603   7.064
  106    HA   CYS  14           HA       CYS  14  -0.834  -4.882   9.485
  107   1HB   CYS  14          1HB       CYS  14   1.651  -5.324   9.375
  108   2HB   CYS  14          2HB       CYS  14   0.660  -6.768   9.619
  109    HG   CYS  14           HG       CYS  14   2.805  -7.150   7.961
  110    H    ARG  15           H        ARG  15  -0.480  -4.616   5.990
  111    HA   ARG  15           HA       ARG  15   0.655  -1.862   6.352
  112   1HB   ARG  15          1HB       ARG  15   1.747  -4.140   4.666
  113   2HB   ARG  15          2HB       ARG  15   2.104  -2.445   4.335
  114   1HG   ARG  15          1HG       ARG  15   3.056  -2.148   6.578
  115   2HG   ARG  15          2HG       ARG  15   2.749  -3.847   6.961
  116   1HD   ARG  15          1HD       ARG  15   4.487  -2.900   4.642
  117   2HD   ARG  15          2HD       ARG  15   5.109  -3.308   6.235
  118    HE   ARG  15           HE       ARG  15   3.642  -5.542   5.479
  119   1HH1  ARG  15          1HH2      ARG  15   6.650  -3.898   4.486
  120   2HH1  ARG  15          2HH2      ARG  15   7.167  -5.259   3.510
  121   1HH2  ARG  15          1HH1      ARG  15   4.573  -7.376   4.345
  122   2HH2  ARG  15          2HH1      ARG  15   6.084  -7.123   3.464
  123    H    SER  16           H        SER  16  -0.861  -4.111   3.904
  124    HA   SER  16           HA       SER  16  -1.227  -2.160   1.989
  125   1HB   SER  16          1HB       SER  16  -3.263  -4.337   2.460
  126   2HB   SER  16          2HB       SER  16  -2.760  -3.590   0.937
  127    HG   SER  16           HG       SER  16  -1.756  -5.547   1.090
  128    HA   PRO  17           HA       PRO  17  -5.470  -0.804   3.710
  129   1HB   PRO  17          1HB       PRO  17  -6.129  -1.190   6.351
  130   2HB   PRO  17          2HB       PRO  17  -6.559  -2.306   5.025
  131   1HG   PRO  17          1HG       PRO  17  -4.208  -2.497   6.932
  132   2HG   PRO  17          2HG       PRO  17  -5.363  -3.788   6.476
  133   1HD   PRO  17          1HD       PRO  17  -2.955  -3.575   5.303
  134   2HD   PRO  17          2HD       PRO  17  -4.390  -4.030   4.338
  135    H    THR  18           H        THR  18  -2.549  -0.766   5.749
  136    HA   THR  18           HA       THR  18  -3.133   1.679   7.122
  137    HB   THR  18           HB       THR  18  -0.367   0.603   6.472
  138    HG1  THR  18           1HG      THR  18  -0.624  -0.830   8.183
  139   1HG2  THR  18          1HG2      THR  18  -1.527   1.947   8.956
  140   2HG2  THR  18          2HG2      THR  18   0.162   1.431   8.733
  141   3HG2  THR  18          3HG2      THR  18  -0.502   2.736   7.736
  142    H    ALA  19           H        ALA  19  -1.196   0.910   4.141
  143    HA   ALA  19           HA       ALA  19  -0.641   3.635   3.446
  144   1HB   ALA  19          1HB       ALA  19  -0.437   2.676   1.113
  145   2HB   ALA  19          2HB       ALA  19   0.590   1.883   2.333
  146   3HB   ALA  19          3HB       ALA  19  -0.908   1.099   1.773
  147    H    GLU  20           H        GLU  20  -3.278   1.384   2.467
  148    HA   GLU  20           HA       GLU  20  -4.439   3.076   0.560
  149   1HB   GLU  20          1HB       GLU  20  -4.837   0.696   0.762
  150   2HB   GLU  20          2HB       GLU  20  -5.632   0.902   2.325
  151   1HG   GLU  20          1HG       GLU  20  -6.835   2.509   0.138
  152   2HG   GLU  20          2HG       GLU  20  -6.841   0.773  -0.150
  153    H    ARG  21           H        ARG  21  -5.280   2.714   4.047
  154    HA   ARG  21           HA       ARG  21  -7.293   4.754   3.979
  155   1HB   ARG  21          1HB       ARG  21  -5.677   3.474   6.218
  156   2HB   ARG  21          2HB       ARG  21  -6.942   4.646   6.524
  157   1HG   ARG  21          1HG       ARG  21  -7.458   2.044   5.023
  158   2HG   ARG  21          2HG       ARG  21  -7.661   2.271   6.757
  159   1HD   ARG  21          1HD       ARG  21  -9.208   4.228   6.216
  160   2HD   ARG  21          2HD       ARG  21  -9.204   3.664   4.538
  161    HE   ARG  21           HE       ARG  21 -10.436   2.420   6.917
  162   1HH1  ARG  21          2HH2      ARG  21  -9.582   1.906   3.457
  163   2HH1  ARG  21          1HH2      ARG  21 -10.725   0.646   3.257
  164   1HH2  ARG  21          2HH1      ARG  21 -11.848   0.575   6.609
  165   2HH2  ARG  21          1HH1      ARG  21 -12.069  -0.053   5.022
  166    H    LEU  22           H        LEU  22  -3.745   4.887   4.566
  167    HA   LEU  22           HA       LEU  22  -3.726   7.600   5.483
  168   1HB   LEU  22          1HB       LEU  22  -1.703   5.814   4.105
  169   2HB   LEU  22          2HB       LEU  22  -1.367   7.522   4.298
  170    HG   LEU  22           HG       LEU  22  -2.131   5.804   6.689
  171   1HD1  LEU  22          1HD1      LEU  22   0.349   5.673   7.125
  172   2HD1  LEU  22          2HD1      LEU  22  -0.184   4.740   5.719
  173   3HD1  LEU  22          3HD1      LEU  22   0.617   6.298   5.478
  174   1HD2  LEU  22          1HD2      LEU  22  -0.682   8.469   6.354
  175   2HD2  LEU  22          2HD2      LEU  22  -2.289   8.211   7.062
  176   3HD2  LEU  22          3HD2      LEU  22  -0.856   7.595   7.886
  177    H    LEU  23           H        LEU  23  -3.619   6.185   2.158
  178    HA   LEU  23           HA       LEU  23  -3.630   8.764   0.883
  179   1HB   LEU  23          1HB       LEU  23  -4.374   5.976  -0.060
  180   2HB   LEU  23          2HB       LEU  23  -4.791   7.386  -1.006
  181    HG   LEU  23           HG       LEU  23  -2.842   6.527  -1.947
  182   1HD1  LEU  23          1HD1      LEU  23  -2.940   9.030  -1.713
  183   2HD1  LEU  23          2HD1      LEU  23  -1.828   8.894  -0.329
  184   3HD1  LEU  23          3HD1      LEU  23  -1.320   8.357  -1.935
  185   1HD2  LEU  23          1HD2      LEU  23  -1.944   5.140  -0.164
  186   2HD2  LEU  23          2HD2      LEU  23  -0.704   6.239  -0.782
  187   3HD2  LEU  23          3HD2      LEU  23  -1.498   6.579   0.773
  188    H    GLN  24           H        GLN  24  -6.343   6.737   2.160
  189    HA   GLN  24           HA       GLN  24  -8.378   8.372   0.985
  190   1HB   GLN  24          1HB       GLN  24  -8.503   6.742   3.566
  191   2HB   GLN  24          2HB       GLN  24  -9.865   7.525   2.788
  192   1HG   GLN  24          1HG       GLN  24  -8.269   5.195   1.694
  193   2HG   GLN  24          2HG       GLN  24  -9.932   5.193   2.245
  194   1HE2  GLN  24          2HE2      GLN  24  -7.843   5.696  -0.421
  195   2HE2  GLN  24          1HE2      GLN  24  -9.003   6.389  -1.565
  196    H    ARG  25           H        ARG  25  -6.541   8.718   4.081
  197    HA   ARG  25           HA       ARG  25  -8.028  10.906   5.068
  198   1HB   ARG  25          1HB       ARG  25  -6.207   9.676   6.335
  199   2HB   ARG  25          2HB       ARG  25  -5.014  10.514   5.336
  200   1HG   ARG  25          1HG       ARG  25  -6.170  12.711   6.160
  201   2HG   ARG  25          2HG       ARG  25  -6.919  11.704   7.394
  202   1HD   ARG  25          1HD       ARG  25  -3.920  11.918   6.886
  203   2HD   ARG  25          2HD       ARG  25  -4.789  12.956   8.012
  204    HE   ARG  25           HE       ARG  25  -5.495  10.755   9.149
  205   1HH1  ARG  25          1HH2      ARG  25  -2.315  11.275   7.648
  206   2HH1  ARG  25          2HH2      ARG  25  -1.434  10.400   8.859
  207   1HH2  ARG  25          1HH1      ARG  25  -4.260   9.662  10.843
  208   2HH2  ARG  25          2HH1      ARG  25  -2.641   9.187  10.457
  209    H    TYR  26           H        TYR  26  -5.124  10.890   2.919
  210    HA   TYR  26           HA       TYR  26  -5.111  13.715   2.588
  211   1HB   TYR  26          1HB       TYR  26  -3.860  11.464   0.974
  212   2HB   TYR  26          2HB       TYR  26  -3.649  13.165   0.583
  213    HD1  TYR  26           HD1      TYR  26  -2.178  10.501   2.395
  214    HD2  TYR  26           HD2      TYR  26  -2.943  14.740   2.612
  215    HE1  TYR  26           HE1      TYR  26  -0.399  10.731   4.102
  216    HE2  TYR  26           HE2      TYR  26  -1.178  14.979   4.316
  217    HH   TYR  26           HH       TYR  26   0.708  12.180   5.553
  218    H    HIS  27           H        HIS  27  -6.620  11.143   0.574
  219    HA   HIS  27           HA       HIS  27  -8.200  13.203  -0.863
  220   1HB   HIS  27          1HB       HIS  27  -6.446  11.081  -2.153
  221   2HB   HIS  27          2HB       HIS  27  -7.658  12.047  -2.996
  222    HD1  HIS  27           HD1      HIS  27  -7.076  14.910  -2.682
  223    HD2  HIS  27           HD2      HIS  27  -4.053  11.987  -2.418
  224    HE1  HIS  27           HE1      HIS  27  -4.879  16.109  -3.116
  225    HA   PRO  28           HA       PRO  28 -10.843   9.550   0.124
  226   1HB   PRO  28          1HB       PRO  28 -13.233  10.872   0.384
  227   2HB   PRO  28          2HB       PRO  28 -12.021  10.750   1.696
  228   1HG   PRO  28          1HG       PRO  28 -12.443  13.041  -0.245
  229   2HG   PRO  28          2HG       PRO  28 -12.254  13.119   1.536
  230   1HD   PRO  28          1HD       PRO  28 -10.179  13.570  -0.171
  231   2HD   PRO  28          2HD       PRO  28  -9.928  12.740   1.395
  232    H    GLU  29           H        GLU  29 -10.812  11.968  -2.399
  233    HA   GLU  29           HA       GLU  29 -12.822  10.652  -4.077
  234   1HB   GLU  29          1HB       GLU  29 -12.405  13.122  -3.994
  235   2HB   GLU  29          2HB       GLU  29 -10.813  12.858  -4.711
  236   1HG   GLU  29          1HG       GLU  29 -11.843  12.010  -6.769
  237   2HG   GLU  29          2HG       GLU  29 -13.444  12.033  -6.019
  238    H    LEU  30           H        LEU  30  -9.519  10.078  -3.297
  239    HA   LEU  30           HA       LEU  30  -8.765   8.975  -5.925
  240   1HB   LEU  30          1HB       LEU  30  -7.138  10.234  -4.489
  241   2HB   LEU  30          2HB       LEU  30  -7.341   9.004  -3.231
  242    HG   LEU  30           HG       LEU  30  -6.442   7.297  -4.855
  243   1HD1  LEU  30          1HD1      LEU  30  -6.920   8.405  -6.961
  244   2HD1  LEU  30          2HD1      LEU  30  -5.862   9.771  -6.539
  245   3HD1  LEU  30          3HD1      LEU  30  -5.181   8.155  -6.824
  246   1HD2  LEU  30          1HD2      LEU  30  -4.656   9.703  -4.252
  247   2HD2  LEU  30          2HD2      LEU  30  -5.047   8.397  -3.118
  248   3HD2  LEU  30          3HD2      LEU  30  -4.099   8.045  -4.566
  249    H    LYS  31           H        LYS  31  -9.033   6.756  -6.375
  250    HA   LYS  31           HA       LYS  31 -10.476   5.187  -4.285
  251   1HB   LYS  31          1HB       LYS  31 -11.438   5.246  -6.578
  252   2HB   LYS  31          2HB       LYS  31  -9.925   4.612  -7.227
  253   1HG   LYS  31          1HG       LYS  31 -10.233   2.565  -5.738
  254   2HG   LYS  31          2HG       LYS  31 -11.843   3.181  -5.335
  255   1HD   LYS  31          1HD       LYS  31 -10.800   2.464  -8.109
  256   2HD   LYS  31          2HD       LYS  31 -11.883   1.470  -7.131
  257   1HE   LYS  31          1HE       LYS  31 -13.670   3.108  -7.282
  258   2HE   LYS  31          2HE       LYS  31 -12.597   4.290  -8.045
  259   1HZ   LYS  31          1HZ       LYS  31 -13.380   1.725  -9.286
  260   2HZ   LYS  31          2HZ       LYS  31 -13.986   3.190  -9.671
  261   3HZ   LYS  31          3HZ       LYS  31 -12.404   2.876  -9.950
  262    H    VAL  32           H        VAL  32  -9.097   4.060  -2.984
  263    HA   VAL  32           HA       VAL  32  -6.709   2.839  -4.222
  264    HB   VAL  32           HB       VAL  32  -6.627   4.079  -1.451
  265   1HG1  VAL  32          1HG1      VAL  32  -4.180   3.704  -1.704
  266   2HG1  VAL  32          2HG1      VAL  32  -5.066   2.179  -1.819
  267   3HG1  VAL  32          3HG1      VAL  32  -4.454   2.961  -3.290
  268   1HG2  VAL  32          1HG2      VAL  32  -5.646   5.204  -4.096
  269   2HG2  VAL  32          2HG2      VAL  32  -6.746   5.958  -2.918
  270   3HG2  VAL  32          3HG2      VAL  32  -5.037   5.737  -2.532
  271    H    GLU  33           H        GLU  33  -6.475   0.746  -3.666
  272    HA   GLU  33           HA       GLU  33  -8.303  -0.417  -1.602
  273   1HB   GLU  33          1HB       GLU  33  -7.928  -1.098  -4.545
  274   2HB   GLU  33          2HB       GLU  33  -8.518  -2.298  -3.416
  275   1HG   GLU  33          1HG       GLU  33  -9.836   0.408  -3.939
  276   2HG   GLU  33          2HG       GLU  33 -10.359  -1.122  -4.611
  277    H    SER  34           H        SER  34  -7.633  -2.700  -1.108
  278    HA   SER  34           HA       SER  34  -4.648  -2.856  -0.938
  279   1HB   SER  34          1HB       SER  34  -6.823  -3.593   1.053
  280   2HB   SER  34          2HB       SER  34  -5.087  -3.791   1.314
  281    HG   SER  34           HG       SER  34  -6.622  -1.429   1.120
  282    H    ALA  35           H        ALA  35  -3.687  -4.923  -1.010
  283    HA   ALA  35           HA       ALA  35  -5.249  -7.356  -0.755
  284   1HB   ALA  35          1HB       ALA  35  -4.623  -8.291  -2.968
  285   2HB   ALA  35          2HB       ALA  35  -5.611  -6.850  -3.180
  286   3HB   ALA  35          3HB       ALA  35  -3.851  -6.753  -3.417
  287    H    GLY  36           H        GLY  36  -3.429  -9.248  -1.409
  288   1HA   GLY  36          1HA       GLY  36  -0.701  -8.259  -1.019
  289   2HA   GLY  36          2HA       GLY  36  -1.286  -9.363   0.217
  290    H    LEU  37           H        LEU  37   0.978  -9.853  -1.365
  291    HA   LEU  37           HA       LEU  37   0.357 -11.810  -3.460
  292   1HB   LEU  37          1HB       LEU  37   2.809 -10.988  -1.868
  293   2HB   LEU  37          2HB       LEU  37   2.835 -12.504  -2.756
  294    HG   LEU  37           HG       LEU  37   2.089  -9.904  -4.135
  295   1HD1  LEU  37          1HD1      LEU  37   4.878 -11.105  -3.837
  296   2HD1  LEU  37          2HD1      LEU  37   4.433  -9.701  -4.841
  297   3HD1  LEU  37          3HD1      LEU  37   4.300  -9.604  -3.082
  298   1HD2  LEU  37          1HD2      LEU  37   1.572 -12.049  -5.327
  299   2HD2  LEU  37          2HD2      LEU  37   2.831 -11.128  -6.156
  300   3HD2  LEU  37          3HD2      LEU  37   3.267 -12.535  -5.168
  301    H    GLY  38           H        GLY  38   1.456 -11.928  -0.058
  302   1HA   GLY  38          1HA       GLY  38   0.333 -14.691   0.228
  303   2HA   GLY  38          2HA       GLY  38   1.669 -14.015   1.178
  304    H    ALA  39           H        ALA  39  -1.583 -12.816   0.181
  305    HA   ALA  39           HA       ALA  39  -2.062 -11.485   2.695
  306   1HB   ALA  39          1HB       ALA  39  -4.057 -12.323   0.552
  307   2HB   ALA  39          2HB       ALA  39  -4.280 -11.049   1.760
  308   3HB   ALA  39          3HB       ALA  39  -3.092 -10.835   0.473
  309    H    LEU  40           H        LEU  40  -4.120 -11.940   3.913
  310    HA   LEU  40           HA       LEU  40  -4.462 -14.870   4.459
  311   1HB   LEU  40          1HB       LEU  40  -4.492 -12.455   6.325
  312   2HB   LEU  40          2HB       LEU  40  -4.853 -14.109   6.810
  313    HG   LEU  40           HG       LEU  40  -2.165 -13.198   5.672
  314   1HD1  LEU  40          1HD1      LEU  40  -2.615 -12.119   7.815
  315   2HD1  LEU  40          2HD1      LEU  40  -2.960 -13.696   8.565
  316   3HD1  LEU  40          3HD1      LEU  40  -1.327 -13.318   7.956
  317   1HD2  LEU  40          1HD2      LEU  40  -1.323 -15.345   6.580
  318   2HD2  LEU  40          2HD2      LEU  40  -2.979 -15.807   7.031
  319   3HD2  LEU  40          3HD2      LEU  40  -2.531 -15.601   5.321
  320    H    VAL  41           H        VAL  41  -6.073 -14.727   2.737
  321    HA   VAL  41           HA       VAL  41  -7.943 -12.771   2.450
  322    HB   VAL  41           HB       VAL  41  -7.488 -14.396   0.781
  323   1HG1  VAL  41          1HG1      VAL  41  -8.344 -16.680   0.769
  324   2HG1  VAL  41          2HG1      VAL  41  -7.231 -16.456   2.122
  325   3HG1  VAL  41          3HG1      VAL  41  -8.983 -16.487   2.412
  326   1HG2  VAL  41          1HG2      VAL  41 -10.439 -14.582   1.493
  327   2HG2  VAL  41          2HG2      VAL  41  -9.666 -13.198   0.696
  328   3HG2  VAL  41          3HG2      VAL  41  -9.703 -14.775  -0.109
  329    H    GLY  42           H        GLY  42  -9.691 -12.018   3.406
  330   1HA   GLY  42          1HA       GLY  42 -11.758 -12.152   4.469
  331   2HA   GLY  42          2HA       GLY  42 -11.381 -13.767   5.073
  332    H    LYS  43           H        LYS  43  -8.597 -12.366   6.018
  333    HA   LYS  43           HA       LYS  43  -9.585 -11.807   8.717
  334   1HB   LYS  43          1HB       LYS  43  -6.862 -11.695   7.382
  335   2HB   LYS  43          2HB       LYS  43  -7.117 -10.888   8.914
  336   1HG   LYS  43          1HG       LYS  43  -6.172 -13.151   9.174
  337   2HG   LYS  43          2HG       LYS  43  -7.672 -12.878  10.068
  338   1HD   LYS  43          1HD       LYS  43  -8.954 -14.075   8.356
  339   2HD   LYS  43          2HD       LYS  43  -7.489 -14.361   7.412
  340   1HE   LYS  43          1HE       LYS  43  -8.037 -15.356  10.257
  341   2HE   LYS  43          2HE       LYS  43  -8.288 -16.314   8.798
  342   1HZ   LYS  43          1HZ       LYS  43  -5.661 -15.300   9.721
  343   2HZ   LYS  43          2HZ       LYS  43  -6.188 -16.835   9.830
  344   3HZ   LYS  43          3HZ       LYS  43  -5.913 -16.194   8.363
  345    H    GLY  44           H        GLY  44  -9.465  -9.801   9.811
  346   1HA   GLY  44          1HA       GLY  44 -10.056  -7.462   8.151
  347   2HA   GLY  44          2HA       GLY  44 -10.055  -7.553   9.916
  348    H    ALA  45           H        ALA  45  -8.917  -5.429   9.416
  349    HA   ALA  45           HA       ALA  45  -6.092  -5.479   8.708
  350   1HB   ALA  45          1HB       ALA  45  -7.795  -3.461  10.245
  351   2HB   ALA  45          2HB       ALA  45  -6.087  -3.227   9.806
  352   3HB   ALA  45          3HB       ALA  45  -7.318  -3.372   8.540
  353    H    ASP  46           H        ASP  46  -4.341  -5.390  10.241
  354    HA   ASP  46           HA       ASP  46  -4.687  -7.313  12.349
  355   1HB   ASP  46          1HB       ASP  46  -2.596  -7.098  11.064
  356   2HB   ASP  46          2HB       ASP  46  -2.317  -5.496  11.765
  357    HA   PRO  47           HA       PRO  47  -5.936  -4.526  15.655
  358   1HB   PRO  47          1HB       PRO  47  -4.262  -6.412  17.324
  359   2HB   PRO  47          2HB       PRO  47  -5.860  -5.693  17.701
  360   1HG   PRO  47          1HG       PRO  47  -5.715  -8.225  16.761
  361   2HG   PRO  47          2HG       PRO  47  -6.950  -7.105  16.098
  362   1HD   PRO  47          1HD       PRO  47  -4.300  -7.909  14.900
  363   2HD   PRO  47          2HD       PRO  47  -5.890  -7.703  14.103
  364    H    THR  48           H        THR  48  -2.450  -5.324  15.203
  365    HA   THR  48           HA       THR  48  -1.607  -3.215  17.047
  366    HB   THR  48           HB       THR  48   0.260  -4.335  14.992
  367    HG1  THR  48           1HG      THR  48  -0.783  -6.142  15.413
  368   1HG2  THR  48          1HG2      THR  48   1.079  -2.840  16.772
  369   2HG2  THR  48          2HG2      THR  48   0.454  -3.946  18.015
  370   3HG2  THR  48          3HG2      THR  48   1.780  -4.458  16.948
  371    H    ALA  49           H        ALA  49  -1.990  -3.711  13.515
  372    HA   ALA  49           HA       ALA  49  -0.927  -1.165  12.712
  373   1HB   ALA  49          1HB       ALA  49  -2.981  -2.983  11.360
  374   2HB   ALA  49          2HB       ALA  49  -2.082  -1.656  10.591
  375   3HB   ALA  49          3HB       ALA  49  -1.222  -3.092  11.172
  376    H    ILE  50           H        ILE  50  -4.246  -2.354  13.467
  377    HA   ILE  50           HA       ILE  50  -5.637   0.085  13.082
  378    HB   ILE  50           HB       ILE  50  -6.098  -2.224  14.990
  379   1HG1  ILE  50          1HG1      ILE  50  -7.646  -1.515  12.460
  380   2HG1  ILE  50          2HG1      ILE  50  -6.260  -2.599  12.434
  381   1HG2  ILE  50          1HG2      ILE  50  -8.027   0.056  14.340
  382   2HG2  ILE  50          2HG2      ILE  50  -8.439  -1.393  15.280
  383   3HG2  ILE  50          3HG2      ILE  50  -7.272  -0.258  15.917
  384   1HD1  ILE  50          1HD1      ILE  50  -8.320  -3.882  12.481
  385   2HD1  ILE  50          2HD1      ILE  50  -7.432  -4.142  13.991
  386   3HD1  ILE  50          3HD1      ILE  50  -8.860  -3.081  13.952
  387    H    SER  51           H        SER  51  -4.031  -1.212  16.083
  388    HA   SER  51           HA       SER  51  -4.757   0.960  17.714
  389   1HB   SER  51          1HB       SER  51  -2.279  -0.809  17.900
  390   2HB   SER  51          2HB       SER  51  -2.925   0.221  19.189
  391    HG   SER  51           HG       SER  51  -4.132  -2.045  17.966
  392    H    VAL  52           H        VAL  52  -1.685   0.508  15.818
  393    HA   VAL  52           HA       VAL  52  -0.624   3.031  16.641
  394    HB   VAL  52           HB       VAL  52   0.005   1.153  14.333
  395   1HG1  VAL  52          1HG1      VAL  52   0.755   3.411  13.651
  396   2HG1  VAL  52          2HG1      VAL  52   1.614   3.597  15.197
  397   3HG1  VAL  52          3HG1      VAL  52   2.114   2.354  14.022
  398   1HG2  VAL  52          1HG2      VAL  52   1.333   1.784  17.018
  399   2HG2  VAL  52          2HG2      VAL  52   0.520   0.271  16.574
  400   3HG2  VAL  52          3HG2      VAL  52   2.036   0.727  15.791
  401    H    ALA  53           H        ALA  53  -2.787   2.144  13.869
  402    HA   ALA  53           HA       ALA  53  -2.556   4.787  12.703
  403   1HB   ALA  53          1HB       ALA  53  -3.223   2.738  11.447
  404   2HB   ALA  53          2HB       ALA  53  -4.747   2.715  12.373
  405   3HB   ALA  53          3HB       ALA  53  -4.373   4.071  11.280
  406    H    ALA  54           H        ALA  54  -4.717   3.305  15.161
  407    HA   ALA  54           HA       ALA  54  -6.533   5.505  15.336
  408   1HB   ALA  54          1HB       ALA  54  -7.187   4.504  17.480
  409   2HB   ALA  54          2HB       ALA  54  -7.045   3.259  16.223
  410   3HB   ALA  54          3HB       ALA  54  -5.767   3.442  17.448
  411    H    GLU  55           H        GLU  55  -3.336   4.869  16.894
  412    HA   GLU  55           HA       GLU  55  -3.391   7.146  18.606
  413   1HB   GLU  55          1HB       GLU  55  -1.075   5.668  17.296
  414   2HB   GLU  55          2HB       GLU  55  -0.865   6.996  18.432
  415   1HG   GLU  55          1HG       GLU  55  -2.084   5.764  20.173
  416   2HG   GLU  55          2HG       GLU  55  -2.356   4.419  19.074
  417    H    HIS  56           H        HIS  56  -3.443   7.066  15.187
  418    HA   HIS  56           HA       HIS  56  -2.898   9.987  15.067
  419   1HB   HIS  56          1HB       HIS  56  -2.250   7.843  13.024
  420   2HB   HIS  56          2HB       HIS  56  -2.137   9.585  12.733
  421    HD1  HIS  56           HD1      HIS  56  -0.170  10.925  14.145
  422    HD2  HIS  56           HD2      HIS  56  -0.193   6.721  14.298
  423    HE1  HIS  56           HE1      HIS  56   2.089  10.233  15.087
  424    H    GLN  57           H        GLN  57  -5.347   8.264  15.547
  425    HA   GLN  57           HA       GLN  57  -7.538   8.250  15.001
  426   1HB   GLN  57          1HB       GLN  57  -6.863  11.105  14.175
  427   2HB   GLN  57          2HB       GLN  57  -8.471  10.515  14.591
  428   1HG   GLN  57          1HG       GLN  57  -6.115  10.563  16.537
  429   2HG   GLN  57          2HG       GLN  57  -7.339  11.811  16.400
  430   1HE2  GLN  57          2HE2      GLN  57  -6.789   8.403  17.407
  431   2HE2  GLN  57          1HE2      GLN  57  -8.274   8.286  18.316
  432    H    LEU  58           H        LEU  58  -6.221   6.893  13.077
  433    HA   LEU  58           HA       LEU  58  -7.994   7.448  10.737
  434   1HB   LEU  58          1HB       LEU  58  -5.715   8.049  10.144
  435   2HB   LEU  58          2HB       LEU  58  -5.101   6.506  10.756
  436    HG   LEU  58           HG       LEU  58  -6.280   5.291   8.984
  437   1HD1  LEU  58          1HD1      LEU  58  -7.369   8.045   8.259
  438   2HD1  LEU  58          2HD1      LEU  58  -7.328   6.721   7.096
  439   3HD1  LEU  58          3HD1      LEU  58  -8.277   6.542   8.571
  440   1HD2  LEU  58          1HD2      LEU  58  -3.990   6.282   8.659
  441   2HD2  LEU  58          2HD2      LEU  58  -4.891   6.008   7.176
  442   3HD2  LEU  58          3HD2      LEU  58  -4.755   7.658   7.829
  443    H    SER  59           H        SER  59  -9.551   5.933  10.978
  444    HA   SER  59           HA       SER  59  -9.012   3.512  12.429
  445   1HB   SER  59          1HB       SER  59 -11.532   4.333  10.928
  446   2HB   SER  59          2HB       SER  59 -11.387   3.149  12.243
  447    HG   SER  59           HG       SER  59 -12.132   5.183  12.986
  448    H    LEU  60           H        LEU  60  -7.951   1.808  11.406
  449    HA   LEU  60           HA       LEU  60  -8.304   1.294   8.543
  450   1HB   LEU  60          1HB       LEU  60  -7.008  -0.560  10.555
  451   2HB   LEU  60          2HB       LEU  60  -6.815  -0.551   8.812
  452    HG   LEU  60           HG       LEU  60  -5.724   1.454  10.796
  453   1HD1  LEU  60          1HD1      LEU  60  -3.550   0.621  10.056
  454   2HD1  LEU  60          2HD1      LEU  60  -4.556  -0.733  10.591
  455   3HD1  LEU  60          3HD1      LEU  60  -4.321  -0.437   8.858
  456   1HD2  LEU  60          1HD2      LEU  60  -6.341   2.727   8.799
  457   2HD2  LEU  60          2HD2      LEU  60  -4.588   2.555   8.880
  458   3HD2  LEU  60          3HD2      LEU  60  -5.522   1.535   7.759
  459    H    GLU  61           H        GLU  61 -10.693   1.128  10.496
  460    HA   GLU  61           HA       GLU  61 -11.271  -1.684  10.831
  461   1HB   GLU  61          1HB       GLU  61 -13.411  -0.971  11.671
  462   2HB   GLU  61          2HB       GLU  61 -12.140   0.027  12.371
  463   1HG   GLU  61          1HG       GLU  61 -12.708   1.860  10.779
  464   2HG   GLU  61          2HG       GLU  61 -13.973   0.855  10.073
  465    H    GLY  62           H        GLY  62 -12.954  -2.885   9.768
  466   1HA   GLY  62          1HA       GLY  62 -14.439  -3.423   8.122
  467   2HA   GLY  62          2HA       GLY  62 -14.336  -1.774   7.486
  468    H    HIS  63           H        HIS  63 -11.172  -2.882   7.588
  469    HA   HIS  63           HA       HIS  63 -10.975  -3.421   4.754
  470   1HB   HIS  63          1HB       HIS  63  -9.071  -2.487   5.981
  471   2HB   HIS  63          2HB       HIS  63  -9.080  -3.858   7.100
  472    HD1  HIS  63           HD1      HIS  63  -8.695  -3.450   3.231
  473    HD2  HIS  63           HD2      HIS  63  -7.452  -5.809   6.496
  474    HE1  HIS  63           HE1      HIS  63  -7.165  -5.259   2.293
  475    H    CYS  64           H        CYS  64 -10.774  -5.428   3.756
  476    HA   CYS  64           HA       CYS  64 -10.770  -7.888   5.423
  477   1HB   CYS  64          1HB       CYS  64 -12.483  -7.289   2.977
  478   2HB   CYS  64          2HB       CYS  64 -12.213  -8.922   3.624
  479    HG   CYS  64           HG       CYS  64 -13.452  -6.284   5.204
  480    H    ALA  65           H        ALA  65  -8.861  -8.847   4.985
  481    HA   ALA  65           HA       ALA  65  -7.170  -8.069   2.810
  482   1HB   ALA  65          1HB       ALA  65  -6.230  -8.797   4.906
  483   2HB   ALA  65          2HB       ALA  65  -7.089 -10.351   4.829
  484   3HB   ALA  65          3HB       ALA  65  -5.778 -10.001   3.685
  485    H    ARG  66           H        ARG  66  -6.345  -9.431   1.101
  486    HA   ARG  66           HA       ARG  66  -7.777 -11.831   0.281
  487   1HB   ARG  66          1HB       ARG  66  -8.751 -10.864  -1.793
  488   2HB   ARG  66          2HB       ARG  66  -9.499 -10.205  -0.340
  489   1HG   ARG  66          1HG       ARG  66  -7.957  -8.197  -0.544
  490   2HG   ARG  66          2HG       ARG  66  -7.427  -8.830  -2.111
  491   1HD   ARG  66          1HD       ARG  66  -9.654  -8.586  -3.030
  492   2HD   ARG  66          2HD       ARG  66 -10.322  -8.225  -1.415
  493    HE   ARG  66           HE       ARG  66  -8.146  -6.469  -2.149
  494   1HH1  ARG  66          1HH2      ARG  66 -11.690  -6.788  -2.450
  495   2HH1  ARG  66          2HH2      ARG  66 -11.946  -5.081  -2.381
  496   1HH2  ARG  66          1HH1      ARG  66  -8.464  -4.389  -2.073
  497   2HH2  ARG  66          2HH1      ARG  66 -10.041  -3.614  -2.119
  498    H    GLN  67           H        GLN  67  -6.706 -12.817  -1.539
  499    HA   GLN  67           HA       GLN  67  -3.960 -11.889  -1.898
  500   1HB   GLN  67          1HB       GLN  67  -5.466 -14.303  -2.968
  501   2HB   GLN  67          2HB       GLN  67  -3.850 -13.846  -3.519
  502   1HG   GLN  67          1HG       GLN  67  -3.089 -13.878  -1.094
  503   2HG   GLN  67          2HG       GLN  67  -4.635 -14.636  -0.692
  504   1HE2  GLN  67          2HE2      GLN  67  -1.484 -15.041  -2.304
  505   2HE2  GLN  67          1HE2      GLN  67  -1.641 -16.759  -2.590
  506    H    ILE  68           H        ILE  68  -2.998 -11.247  -3.686
  507    HA   ILE  68           HA       ILE  68  -4.484  -9.660  -5.559
  508    HB   ILE  68           HB       ILE  68  -2.098  -9.317  -4.853
  509   1HG1  ILE  68          1HG1      ILE  68  -2.669  -9.516  -7.842
  510   2HG1  ILE  68          2HG1      ILE  68  -3.024  -8.157  -6.772
  511   1HG2  ILE  68          1HG2      ILE  68  -0.276 -10.566  -5.762
  512   2HG2  ILE  68          2HG2      ILE  68  -1.371 -11.724  -5.001
  513   3HG2  ILE  68          3HG2      ILE  68  -1.354 -11.555  -6.767
  514   1HD1  ILE  68          1HD1      ILE  68  -1.077  -7.562  -7.993
  515   2HD1  ILE  68          2HD1      ILE  68  -0.494  -7.996  -6.389
  516   3HD1  ILE  68          3HD1      ILE  68  -0.314  -9.143  -7.729
  517    H    SER  69           H        SER  69  -4.918 -10.149  -7.735
  518    HA   SER  69           HA       SER  69  -4.344 -12.848  -8.766
  519   1HB   SER  69          1HB       SER  69  -6.636 -13.146  -9.553
  520   2HB   SER  69          2HB       SER  69  -6.650 -12.917  -7.793
  521    HG   SER  69           HG       SER  69  -8.236 -11.648  -8.715
  522    H    ARG  70           H        ARG  70  -4.526 -12.792 -11.229
  523    HA   ARG  70           HA       ARG  70  -3.435 -10.362 -12.279
  524   1HB   ARG  70          1HB       ARG  70  -3.085 -12.627 -13.245
  525   2HB   ARG  70          2HB       ARG  70  -4.763 -12.642 -13.814
  526   1HG   ARG  70          1HG       ARG  70  -4.330 -10.752 -15.297
  527   2HG   ARG  70          2HG       ARG  70  -2.726 -10.500 -14.583
  528   1HD   ARG  70          1HD       ARG  70  -1.990 -12.702 -15.410
  529   2HD   ARG  70          2HD       ARG  70  -3.586 -12.974 -16.136
  530    HE   ARG  70           HE       ARG  70  -2.867 -10.589 -17.246
  531   1HH1  ARG  70          1HH2      ARG  70  -1.087 -13.669 -17.079
  532   2HH1  ARG  70          2HH2      ARG  70  -0.294 -13.422 -18.591
  533   1HH2  ARG  70          1HH1      ARG  70  -1.938 -10.288 -19.134
  534   2HH2  ARG  70          2HH1      ARG  70  -0.775 -11.398 -19.836
  535    H    ARG  71           H        ARG  71  -6.796 -11.548 -11.985
  536    HA   ARG  71           HA       ARG  71  -8.048  -9.497 -13.516
  537   1HB   ARG  71          1HB       ARG  71  -9.023 -10.972 -11.028
  538   2HB   ARG  71          2HB       ARG  71 -10.019  -9.918 -12.035
  539   1HG   ARG  71          1HG       ARG  71  -9.625 -11.387 -13.995
  540   2HG   ARG  71          2HG       ARG  71  -8.648 -12.473 -12.985
  541   1HD   ARG  71          1HD       ARG  71 -10.604 -12.868 -11.515
  542   2HD   ARG  71          2HD       ARG  71 -11.584 -11.791 -12.534
  543    HE   ARG  71           HE       ARG  71 -10.430 -13.788 -14.182
  544   1HH1  ARG  71          1HH1      ARG  71 -12.882 -13.528 -11.628
  545   2HH1  ARG  71          2HH1      ARG  71 -13.806 -14.875 -12.177
  546   1HH2  ARG  71          1HH2      ARG  71 -11.659 -15.589 -14.917
  547   2HH2  ARG  71          2HH2      ARG  71 -13.091 -16.072 -14.090
  548    H    LEU  72           H        LEU  72  -7.209  -9.548  -9.958
  549    HA   LEU  72           HA       LEU  72  -8.020  -6.873  -9.505
  550   1HB   LEU  72          1HB       LEU  72  -6.231  -8.822  -8.100
  551   2HB   LEU  72          2HB       LEU  72  -5.863  -7.116  -7.843
  552    HG   LEU  72           HG       LEU  72  -8.237  -6.701  -7.255
  553   1HD1  LEU  72          1HD1      LEU  72  -9.293  -8.704  -8.271
  554   2HD1  LEU  72          2HD1      LEU  72  -8.453  -9.733  -7.092
  555   3HD1  LEU  72          3HD1      LEU  72  -9.674  -8.564  -6.549
  556   1HD2  LEU  72          1HD2      LEU  72  -6.768  -8.709  -5.490
  557   2HD2  LEU  72          2HD2      LEU  72  -6.476  -6.954  -5.541
  558   3HD2  LEU  72          3HD2      LEU  72  -8.027  -7.573  -4.959
  559    H    CYS  73           H        CYS  73  -4.865  -8.150 -10.692
  560    HA   CYS  73           HA       CYS  73  -3.496  -5.714 -10.564
  561   1HB   CYS  73          1HB       CYS  73  -3.191  -7.893 -12.688
  562   2HB   CYS  73          2HB       CYS  73  -2.035  -6.597 -12.365
  563    HG   CYS  73           HG       CYS  73  -3.091  -8.905 -10.227
  564    H    ARG  74           H        ARG  74  -5.478  -6.972 -13.368
  565    HA   ARG  74           HA       ARG  74  -5.029  -4.471 -14.784
  566   1HB   ARG  74          1HB       ARG  74  -6.425  -5.345 -16.512
  567   2HB   ARG  74          2HB       ARG  74  -5.282  -6.577 -15.985
  568   1HG   ARG  74          1HG       ARG  74  -7.052  -7.760 -14.761
  569   2HG   ARG  74          2HG       ARG  74  -8.204  -6.462 -15.102
  570   1HD   ARG  74          1HD       ARG  74  -8.639  -8.279 -16.617
  571   2HD   ARG  74          2HD       ARG  74  -8.003  -6.917 -17.530
  572    HE   ARG  74           HE       ARG  74  -5.854  -8.001 -17.715
  573   1HH1  ARG  74          1HH2      ARG  74  -8.509 -10.165 -16.706
  574   2HH1  ARG  74          2HH2      ARG  74  -7.693 -11.599 -17.203
  575   1HH2  ARG  74          1HH1      ARG  74  -4.781  -9.866 -18.314
  576   2HH2  ARG  74          2HH1      ARG  74  -5.548 -11.426 -18.204
  577    H    ASN  75           H        ASN  75  -7.264  -5.350 -12.297
  578    HA   ASN  75           HA       ASN  75  -9.503  -3.839 -13.146
  579   1HB   ASN  75          1HB       ASN  75  -9.581  -5.569 -11.368
  580   2HB   ASN  75          2HB       ASN  75  -8.647  -4.511 -10.303
  581   1HD2  ASN  75          2HD2      ASN  75  -9.765  -2.867  -9.152
  582   2HD2  ASN  75          1HD2      ASN  75 -11.480  -2.598  -9.333
  583    H    TYR  76           H        TYR  76  -6.468  -2.771 -11.690
  584    HA   TYR  76           HA       TYR  76  -7.639  -0.036 -11.334
  585   1HB   TYR  76          1HB       TYR  76  -5.337  -1.170  -9.735
  586   2HB   TYR  76          2HB       TYR  76  -6.160   0.361  -9.501
  587    HD1  TYR  76           HD1      TYR  76  -8.412   0.447  -8.412
  588    HD2  TYR  76           HD2      TYR  76  -6.314  -3.265  -8.990
  589    HE1  TYR  76           HE1      TYR  76  -9.948  -0.665  -6.825
  590    HE2  TYR  76           HE2      TYR  76  -7.826  -4.391  -7.395
  591    HH   TYR  76           HH       TYR  76  -9.672  -4.164  -5.992
  592    H    ASP  77           H        ASP  77  -5.735   1.662 -11.451
  593    HA   ASP  77           HA       ASP  77  -4.385   1.022 -14.033
  594   1HB   ASP  77          1HB       ASP  77  -6.292   2.653 -13.999
  595   2HB   ASP  77          2HB       ASP  77  -5.296   3.719 -13.009
  596    H    LEU  78           H        LEU  78  -3.631   1.681 -10.783
  597    HA   LEU  78           HA       LEU  78  -0.782   1.905 -11.527
  598   1HB   LEU  78          1HB       LEU  78  -2.032   4.168 -10.627
  599   2HB   LEU  78          2HB       LEU  78  -1.716   3.394  -9.087
  600    HG   LEU  78           HG       LEU  78   0.265   4.353 -11.168
  601   1HD1  LEU  78          1HD1      LEU  78   1.025   5.799  -9.410
  602   2HD1  LEU  78          2HD1      LEU  78  -0.738   5.914  -9.432
  603   3HD1  LEU  78          3HD1      LEU  78   0.056   4.948  -8.186
  604   1HD2  LEU  78          1HD2      LEU  78   0.899   2.595  -8.772
  605   2HD2  LEU  78          2HD2      LEU  78   1.288   2.294 -10.479
  606   3HD2  LEU  78          3HD2      LEU  78   2.093   3.595  -9.613
  607    H    ILE  79           H        ILE  79   0.353   0.384 -10.251
  608    HA   ILE  79           HA       ILE  79  -1.146  -0.844  -7.975
  609    HB   ILE  79           HB       ILE  79   0.732  -2.323  -9.830
  610   1HG1  ILE  79          1HG1      ILE  79  -1.153  -1.697 -11.252
  611   2HG1  ILE  79          2HG1      ILE  79  -1.092  -3.420 -10.962
  612   1HG2  ILE  79          1HG2      ILE  79  -0.328  -4.331  -8.788
  613   2HG2  ILE  79          2HG2      ILE  79   0.470  -3.287  -7.599
  614   3HG2  ILE  79          3HG2      ILE  79  -1.290  -3.261  -7.746
  615   1HD1  ILE  79          1HD1      ILE  79  -2.949  -1.583  -9.397
  616   2HD1  ILE  79          2HD1      ILE  79  -3.397  -2.369 -10.907
  617   3HD1  ILE  79          3HD1      ILE  79  -2.992  -3.355  -9.491
  618    H    LEU  80           H        LEU  80   0.039  -0.805  -6.112
  619    HA   LEU  80           HA       LEU  80   2.948  -0.181  -6.336
  620   1HB   LEU  80          1HB       LEU  80   1.018   0.716  -4.158
  621   2HB   LEU  80          2HB       LEU  80   2.760   0.870  -4.112
  622    HG   LEU  80           HG       LEU  80   2.046   2.996  -4.590
  623   1HD1  LEU  80          1HD1      LEU  80   3.895   2.348  -6.041
  624   2HD1  LEU  80          2HD1      LEU  80   2.753   1.865  -7.314
  625   3HD1  LEU  80          3HD1      LEU  80   2.846   3.554  -6.814
  626   1HD2  LEU  80          1HD2      LEU  80  -0.271   2.500  -5.102
  627   2HD2  LEU  80          2HD2      LEU  80   0.419   3.656  -6.249
  628   3HD2  LEU  80          3HD2      LEU  80   0.167   1.963  -6.731
  629    H    THR  81           H        THR  81   4.275  -1.124  -4.834
  630    HA   THR  81           HA       THR  81   3.099  -2.840  -2.813
  631    HB   THR  81           HB       THR  81   3.259  -4.363  -4.725
  632    HG1  THR  81           1HG      THR  81   3.523  -5.079  -2.614
  633   1HG2  THR  81          1HG2      THR  81   5.384  -5.118  -5.600
  634   2HG2  THR  81          2HG2      THR  81   5.204  -3.387  -5.907
  635   3HG2  THR  81          3HG2      THR  81   6.267  -3.945  -4.592
  636    H    MET  82           H        MET  82   5.193  -3.700  -1.412
  637    HA   MET  82           HA       MET  82   6.491  -1.073  -0.863
  638   1HB   MET  82          1HB       MET  82   5.554  -3.314   0.969
  639   2HB   MET  82          2HB       MET  82   6.424  -1.874   1.489
  640   1HG   MET  82          1HG       MET  82   4.607  -0.473   0.399
  641   2HG   MET  82          2HG       MET  82   3.695  -1.971   0.165
  642   1HE   MET  82          1HE       MET  82   1.590  -1.168   1.426
  643   2HE   MET  82          2HE       MET  82   1.647  -0.290   2.968
  644   3HE   MET  82          3HE       MET  82   2.384   0.419   1.510
  645    H    GLU  83           H        GLU  83   7.351  -4.225  -1.887
  646    HA   GLU  83           HA       GLU  83  10.143  -3.773  -0.946
  647   1HB   GLU  83          1HB       GLU  83   8.626  -6.408  -0.851
  648   2HB   GLU  83          2HB       GLU  83  10.328  -6.174  -0.463
  649   1HG   GLU  83          1HG       GLU  83   9.746  -4.766   1.462
  650   2HG   GLU  83          2HG       GLU  83   8.027  -4.868   1.068
  651    H    LYS  84           H        LYS  84  11.727  -4.421  -2.448
  652    HA   LYS  84           HA       LYS  84  10.778  -4.216  -5.151
  653   1HB   LYS  84          1HB       LYS  84  13.538  -4.793  -3.999
  654   2HB   LYS  84          2HB       LYS  84  13.223  -4.492  -5.719
  655   1HG   LYS  84          1HG       LYS  84  12.324  -2.278  -5.252
  656   2HG   LYS  84          2HG       LYS  84  12.409  -2.548  -3.509
  657   1HD   LYS  84          1HD       LYS  84  14.889  -2.693  -3.651
  658   2HD   LYS  84          2HD       LYS  84  14.787  -2.289  -5.386
  659   1HE   LYS  84          1HE       LYS  84  13.610  -0.181  -4.836
  660   2HE   LYS  84          2HE       LYS  84  13.599  -0.605  -3.124
  661   1HZ   LYS  84          1HZ       LYS  84  15.307   0.936  -3.536
  662   2HZ   LYS  84          2HZ       LYS  84  16.044  -0.478  -3.172
  663   3HZ   LYS  84          3HZ       LYS  84  15.998   0.037  -4.728
  664    H    ARG  85           H        ARG  85  11.722  -7.044  -3.196
  665    HA   ARG  85           HA       ARG  85  11.634  -8.946  -5.320
  666   1HB   ARG  85          1HB       ARG  85  11.130 -10.602  -3.559
  667   2HB   ARG  85          2HB       ARG  85  12.521  -9.590  -3.178
  668   1HG   ARG  85          1HG       ARG  85  11.213  -8.278  -1.579
  669   2HG   ARG  85          2HG       ARG  85   9.731  -9.131  -2.038
  670   1HD   ARG  85          1HD       ARG  85  10.692 -11.257  -1.230
  671   2HD   ARG  85          2HD       ARG  85  12.157 -10.395  -0.715
  672    HE   ARG  85           HE       ARG  85  10.288  -8.959   0.592
  673   1HH1  ARG  85          1HH2      ARG  85  10.688 -12.502   0.464
  674   2HH1  ARG  85          2HH2      ARG  85   9.936 -12.747   1.997
  675   1HH2  ARG  85          1HH1      ARG  85   9.369  -9.243   2.472
  676   2HH2  ARG  85          2HH1      ARG  85   9.157 -10.814   3.231
  677    H    HIS  86           H        HIS  86   8.986  -7.214  -3.671
  678    HA   HIS  86           HA       HIS  86   6.954  -9.103  -4.603
  679   1HB   HIS  86          1HB       HIS  86   6.625  -6.251  -3.621
  680   2HB   HIS  86          2HB       HIS  86   5.348  -7.419  -3.891
  681    HD1  HIS  86           HD1      HIS  86   7.523  -9.597  -2.116
  682    HD2  HIS  86           HD2      HIS  86   5.386  -6.106  -1.148
  683    HE1  HIS  86           HE1      HIS  86   7.317  -9.546   0.422
  684    H    ILE  87           H        ILE  87   8.403  -5.971  -5.705
  685    HA   ILE  87           HA       ILE  87   6.627  -5.475  -7.842
  686    HB   ILE  87           HB       ILE  87   9.624  -4.930  -7.659
  687   1HG1  ILE  87          1HG1      ILE  87   7.226  -3.128  -7.110
  688   2HG1  ILE  87          2HG1      ILE  87   8.258  -3.867  -5.879
  689   1HG2  ILE  87          1HG2      ILE  87   7.608  -3.742  -9.609
  690   2HG2  ILE  87          2HG2      ILE  87   9.312  -3.269  -9.447
  691   3HG2  ILE  87          3HG2      ILE  87   8.910  -4.872 -10.020
  692   1HD1  ILE  87          1HD1      ILE  87   8.938  -1.625  -6.082
  693   2HD1  ILE  87          2HD1      ILE  87  10.214  -2.595  -6.840
  694   3HD1  ILE  87          3HD1      ILE  87   9.043  -1.698  -7.843
  695    H    GLU  88           H        GLU  88   9.573  -7.567  -7.697
  696    HA   GLU  88           HA       GLU  88   9.495  -8.373 -10.388
  697   1HB   GLU  88          1HB       GLU  88  11.344  -8.698  -8.678
  698   2HB   GLU  88          2HB       GLU  88  10.399 -10.014  -7.984
  699   1HG   GLU  88          1HG       GLU  88  12.016 -10.997  -9.397
  700   2HG   GLU  88          2HG       GLU  88  10.468 -11.176 -10.211
  701    H    ARG  89           H        ARG  89   7.837  -9.829  -7.511
  702    HA   ARG  89           HA       ARG  89   6.720 -12.002  -9.019
  703   1HB   ARG  89          1HB       ARG  89   5.833 -10.811  -6.385
  704   2HB   ARG  89          2HB       ARG  89   5.174 -12.281  -7.101
  705   1HG   ARG  89          1HG       ARG  89   8.028 -11.809  -6.219
  706   2HG   ARG  89          2HG       ARG  89   6.843 -12.842  -5.430
  707   1HD   ARG  89          1HD       ARG  89   8.389 -13.267  -7.995
  708   2HD   ARG  89          2HD       ARG  89   8.378 -14.276  -6.559
  709    HE   ARG  89           HE       ARG  89   6.758 -14.568  -8.860
  710   1HH1  ARG  89          1HH2      ARG  89   6.328 -14.874  -5.329
  711   2HH1  ARG  89          2HH2      ARG  89   5.042 -16.012  -5.491
  712   1HH2  ARG  89          1HH1      ARG  89   5.229 -15.979  -9.062
  713   2HH2  ARG  89          2HH1      ARG  89   4.349 -16.677  -7.713
  714    H    LEU  90           H        LEU  90   5.474  -8.712  -8.239
  715    HA   LEU  90           HA       LEU  90   2.856  -9.147  -9.332
  716   1HB   LEU  90          1HB       LEU  90   4.534  -6.758  -8.599
  717   2HB   LEU  90          2HB       LEU  90   3.232  -6.508  -9.756
  718    HG   LEU  90           HG       LEU  90   1.579  -7.424  -8.212
  719   1HD1  LEU  90          1HD1      LEU  90   3.805  -7.482  -6.131
  720   2HD1  LEU  90          2HD1      LEU  90   2.089  -7.800  -5.848
  721   3HD1  LEU  90          3HD1      LEU  90   3.029  -8.915  -6.841
  722   1HD2  LEU  90          1HD2      LEU  90   3.279  -5.188  -7.031
  723   2HD2  LEU  90          2HD2      LEU  90   2.030  -5.012  -8.278
  724   3HD2  LEU  90          3HD2      LEU  90   1.575  -5.515  -6.643
  725    H    CYS  91           H        CYS  91   5.929  -7.992 -10.810
  726    HA   CYS  91           HA       CYS  91   4.820  -7.501 -13.403
  727   1HB   CYS  91          1HB       CYS  91   7.654  -8.166 -12.469
  728   2HB   CYS  91          2HB       CYS  91   7.241  -7.647 -14.106
  729    HG   CYS  91           HG       CYS  91   6.847  -6.110 -11.215
  730    H    GLU  92           H        GLU  92   5.971 -10.500 -11.845
  731    HA   GLU  92           HA       GLU  92   5.861 -12.094 -14.240
  732   1HB   GLU  92          1HB       GLU  92   7.243 -12.685 -12.306
  733   2HB   GLU  92          2HB       GLU  92   5.816 -12.798 -11.280
  734   1HG   GLU  92          1HG       GLU  92   4.977 -14.694 -12.682
  735   2HG   GLU  92          2HG       GLU  92   6.453 -14.593 -13.651
  736    H    MET  93           H        MET  93   3.607 -11.445 -11.491
  737    HA   MET  93           HA       MET  93   1.600 -13.291 -12.284
  738   1HB   MET  93          1HB       MET  93   1.582 -10.785 -10.561
  739   2HB   MET  93          2HB       MET  93   0.116 -11.710 -10.843
  740   1HG   MET  93          1HG       MET  93   2.665 -12.897  -9.690
  741   2HG   MET  93          2HG       MET  93   1.334 -12.283  -8.719
  742   1HE   MET  93          1HE       MET  93  -1.518 -14.862  -9.269
  743   2HE   MET  93          2HE       MET  93  -0.957 -13.434  -8.377
  744   3HE   MET  93          3HE       MET  93  -1.338 -13.312 -10.112
  745    H    ALA  94           H        ALA  94   2.063  -9.834 -13.161
  746    HA   ALA  94           HA       ALA  94   0.002 -10.194 -15.291
  747   1HB   ALA  94          1HB       ALA  94  -1.132  -9.210 -13.361
  748   2HB   ALA  94          2HB       ALA  94   0.087  -7.922 -13.265
  749   3HB   ALA  94          3HB       ALA  94  -0.992  -8.027 -14.678
  750    HA   PRO  95           HA       PRO  95   3.912  -8.365 -16.977
  751   1HB   PRO  95          1HB       PRO  95   2.741  -9.694 -19.408
  752   2HB   PRO  95          2HB       PRO  95   4.450  -9.598 -18.873
  753   1HG   PRO  95          1HG       PRO  95   3.008 -11.881 -18.516
  754   2HG   PRO  95          2HG       PRO  95   4.112 -11.293 -17.232
  755   1HD   PRO  95          1HD       PRO  95   1.113 -10.972 -17.412
  756   2HD   PRO  95          2HD       PRO  95   2.122 -11.419 -16.006
  757    H    GLU  96           H        GLU  96   0.512  -8.349 -18.185
  758    HA   GLU  96           HA       GLU  96   0.737  -6.075 -19.850
  759   1HB   GLU  96          1HB       GLU  96  -1.669  -6.019 -19.788
  760   2HB   GLU  96          2HB       GLU  96  -1.127  -7.697 -19.833
  761   1HG   GLU  96          1HG       GLU  96  -1.417  -7.682 -17.250
  762   2HG   GLU  96          2HG       GLU  96  -2.285  -6.159 -17.477
  763    H    MET  97           H        MET  97   0.893  -6.244 -16.392
  764    HA   MET  97           HA       MET  97   0.425  -3.321 -16.146
  765   1HB   MET  97          1HB       MET  97   0.339  -5.477 -14.008
  766   2HB   MET  97          2HB       MET  97   0.122  -3.751 -13.733
  767   1HG   MET  97          1HG       MET  97  -1.681  -5.573 -15.349
  768   2HG   MET  97          2HG       MET  97  -2.033  -4.847 -13.792
  769   1HE   MET  97          1HE       MET  97  -2.954  -2.369 -13.434
  770   2HE   MET  97          2HE       MET  97  -1.306  -1.898 -13.870
  771   3HE   MET  97          3HE       MET  97  -2.693  -1.091 -14.633
  772    H    ARG  98           H        ARG  98   2.970  -5.278 -16.783
  773    HA   ARG  98           HA       ARG  98   4.831  -4.860 -14.730
  774   1HB   ARG  98          1HB       ARG  98   4.990  -6.409 -16.636
  775   2HB   ARG  98          2HB       ARG  98   5.296  -5.066 -17.741
  776   1HG   ARG  98          1HG       ARG  98   7.436  -4.613 -16.718
  777   2HG   ARG  98          2HG       ARG  98   7.112  -5.726 -15.386
  778   1HD   ARG  98          1HD       ARG  98   7.366  -6.521 -18.318
  779   2HD   ARG  98          2HD       ARG  98   8.641  -6.686 -17.096
  780    HE   ARG  98           HE       ARG  98   6.321  -8.026 -16.147
  781   1HH1  ARG  98          1HH2      ARG  98   8.717  -8.417 -18.741
  782   2HH1  ARG  98          2HH2      ARG  98   8.554 -10.131 -18.812
  783   1HH2  ARG  98          1HH1      ARG  98   6.127 -10.258 -16.200
  784   2HH2  ARG  98          2HH1      ARG  98   7.039 -11.216 -17.328
  785    H    GLY  99           H        GLY  99   3.939  -2.632 -17.375
  786   1HA   GLY  99          1HA       GLY  99   5.964  -0.664 -16.659
  787   2HA   GLY  99          2HA       GLY  99   4.672  -0.498 -17.850
  788    H    LYS 100           H        LYS 100   3.201  -1.502 -14.971
  789    HA   LYS 100           HA       LYS 100   2.640   1.284 -14.079
  790   1HB   LYS 100          1HB       LYS 100   0.563  -0.905 -14.427
  791   2HB   LYS 100          2HB       LYS 100   0.294   0.751 -13.913
  792   1HG   LYS 100          1HG       LYS 100  -0.382   1.013 -16.041
  793   2HG   LYS 100          2HG       LYS 100   1.333   1.322 -16.328
  794   1HD   LYS 100          1HD       LYS 100   1.606  -1.078 -17.020
  795   2HD   LYS 100          2HD       LYS 100  -0.116  -1.345 -16.663
  796   1HE   LYS 100          1HE       LYS 100  -0.803   0.173 -18.402
  797   2HE   LYS 100          2HE       LYS 100   0.868   0.639 -18.741
  798   1HZ   LYS 100          1HZ       LYS 100   1.307  -1.517 -19.596
  799   2HZ   LYS 100          2HZ       LYS 100  -0.085  -2.162 -19.039
  800   3HZ   LYS 100          3HZ       LYS 100  -0.105  -1.070 -20.265
  801    H    VAL 101           H        VAL 101   4.019  -1.527 -13.075
  802    HA   VAL 101           HA       VAL 101   2.915  -1.361 -10.324
  803    HB   VAL 101           HB       VAL 101   4.860  -3.289 -11.643
  804   1HG1  VAL 101          1HG1      VAL 101   3.817  -3.292  -8.769
  805   2HG1  VAL 101          2HG1      VAL 101   4.808  -4.564  -9.529
  806   3HG1  VAL 101          3HG1      VAL 101   5.485  -2.962  -9.262
  807   1HG2  VAL 101          1HG2      VAL 101   2.160  -3.975 -10.416
  808   2HG2  VAL 101          2HG2      VAL 101   2.326  -3.563 -12.119
  809   3HG2  VAL 101          3HG2      VAL 101   3.187  -4.961 -11.478
  810    H    MET 102           H        MET 102   4.184  -0.254  -8.746
  811    HA   MET 102           HA       MET 102   7.049  -0.085  -9.165
  812   1HB   MET 102          1HB       MET 102   7.369   2.256  -9.118
  813   2HB   MET 102          2HB       MET 102   6.253   1.923 -10.431
  814   1HG   MET 102          1HG       MET 102   4.359   2.668  -9.012
  815   2HG   MET 102          2HG       MET 102   5.481   2.939  -7.672
  816   1HE   MET 102          1HE       MET 102   5.062   5.579 -11.431
  817   2HE   MET 102          2HE       MET 102   5.500   3.864 -11.580
  818   3HE   MET 102          3HE       MET 102   3.920   4.327 -10.902
  819    H    LEU 103           H        LEU 103   8.046   1.271  -7.238
  820    HA   LEU 103           HA       LEU 103   7.176  -0.098  -4.860
  821   1HB   LEU 103          1HB       LEU 103   9.578   0.539  -5.632
  822   2HB   LEU 103          2HB       LEU 103   9.189   2.175  -5.125
  823    HG   LEU 103           HG       LEU 103   8.747   1.259  -2.790
  824   1HD1  LEU 103          1HD1      LEU 103   9.710  -0.949  -2.227
  825   2HD1  LEU 103          2HD1      LEU 103   8.361  -1.137  -3.345
  826   3HD1  LEU 103          3HD1      LEU 103  10.031  -1.267  -3.939
  827   1HD2  LEU 103          1HD2      LEU 103  11.205   0.963  -2.340
  828   2HD2  LEU 103          2HD2      LEU 103  11.485   0.913  -4.086
  829   3HD2  LEU 103          3HD2      LEU 103  10.816   2.375  -3.325
  830    H    PHE 104           H        PHE 104   5.904   0.689  -3.182
  831    HA   PHE 104           HA       PHE 104   4.421   3.070  -3.396
  832   1HB   PHE 104          1HB       PHE 104   3.957   1.029  -1.951
  833   2HB   PHE 104          2HB       PHE 104   5.162   1.622  -0.817
  834    HD1  PHE 104           HD1      PHE 104   4.587   3.404   0.761
  835    HD2  PHE 104           HD2      PHE 104   1.884   2.350  -2.427
  836    HE1  PHE 104           HE1      PHE 104   2.803   4.812   1.783
  837    HE2  PHE 104           HE2      PHE 104   0.147   3.808  -1.449
  838    HZ   PHE 104           HZ       PHE 104   0.604   5.036   0.653
  839    H    GLY 105           H        GLY 105   7.528   2.454  -1.710
  840   1HA   GLY 105          1HA       GLY 105   7.671   5.177  -0.652
  841   2HA   GLY 105          2HA       GLY 105   8.854   3.882  -0.451
  842    H    HIS 106           H        HIS 106   7.810   4.587  -3.742
  843    HA   HIS 106           HA       HIS 106  10.343   4.817  -4.769
  844   1HB   HIS 106          1HB       HIS 106   8.586   4.365  -6.210
  845   2HB   HIS 106          2HB       HIS 106   7.661   5.786  -5.712
  846    HD1  HIS 106           HD1      HIS 106  10.729   4.911  -7.958
  847    HD2  HIS 106           HD2      HIS 106   8.021   8.026  -7.035
  848    HE1  HIS 106           HE1      HIS 106  11.105   6.733  -9.680
  849    H    TRP 107           H        TRP 107   8.265   7.586  -3.751
  850    HA   TRP 107           HA       TRP 107   9.937   9.628  -4.693
  851   1HB   TRP 107          1HB       TRP 107   8.245   9.757  -2.176
  852   2HB   TRP 107          2HB       TRP 107   8.687  11.086  -3.238
  853    HD1  TRP 107           HD1      TRP 107   6.088   8.459  -2.682
  854    HE1  TRP 107           HE1      TRP 107   4.268   8.571  -4.432
  855    HE3  TRP 107           HE3      TRP 107   8.320  11.726  -5.948
  856    HZ2  TRP 107           HZ2      TRP 107   3.770   9.961  -6.948
  857    HZ3  TRP 107           HZ3      TRP 107   7.133  12.430  -8.011
  858    HH2  TRP 107           HH2      TRP 107   4.859  11.557  -8.512
  859    H    ASP 108           H        ASP 108  10.211   7.683  -1.752
  860    HA   ASP 108           HA       ASP 108  12.216   9.498  -0.542
  861   1HB   ASP 108          1HB       ASP 108  10.407   8.459   0.841
  862   2HB   ASP 108          2HB       ASP 108  11.057   6.862   0.458
  863    H    ASN 109           H        ASN 109  13.228   8.984  -2.811
  864    HA   ASN 109           HA       ASN 109  14.948   8.051  -3.964
  865   1HB   ASN 109          1HB       ASN 109  16.066   9.174  -2.079
  866   2HB   ASN 109          2HB       ASN 109  15.990   7.681  -1.142
  867   1HD2  ASN 109          2HD2      ASN 109  18.157   7.344  -0.907
  868   2HD2  ASN 109          1HD2      ASN 109  19.267   7.032  -2.224
  869    H    GLU 110           H        GLU 110  12.866   6.327  -3.841
  870    HA   GLU 110           HA       GLU 110  12.133   4.209  -3.776
  871   1HB   GLU 110          1HB       GLU 110  14.767   3.675  -5.189
  872   2HB   GLU 110          2HB       GLU 110  13.274   2.719  -5.293
  873   1HG   GLU 110          1HG       GLU 110  12.135   4.917  -6.022
  874   2HG   GLU 110          2HG       GLU 110  13.757   5.541  -6.301
  875    H    CYS 111           H        CYS 111  13.050   4.768  -1.286
  876    HA   CYS 111           HA       CYS 111  14.493   2.452  -0.233
  877   1HB   CYS 111          1HB       CYS 111  12.794   4.650   1.003
  878   2HB   CYS 111          2HB       CYS 111  13.516   3.326   1.951
  879    HG   CYS 111           HG       CYS 111  14.867   5.678   0.119
  880    H    GLU 112           H        GLU 112  13.593   0.444  -0.028
  881    HA   GLU 112           HA       GLU 112  10.693   0.068  -0.246
  882   1HB   GLU 112          1HB       GLU 112  11.207  -2.302   0.183
  883   2HB   GLU 112          2HB       GLU 112  11.975  -1.624  -1.254
  884   1HG   GLU 112          1HG       GLU 112  14.129  -1.546  -0.078
  885   2HG   GLU 112          2HG       GLU 112  13.355  -2.109   1.411
  886    H    ILE 113           H        ILE 113   9.523  -1.142   1.465
  887    HA   ILE 113           HA       ILE 113  10.087   0.305   4.000
  888    HB   ILE 113           HB       ILE 113   7.483  -0.608   2.781
  889   1HG1  ILE 113          1HG1      ILE 113   8.860   2.103   2.908
  890   2HG1  ILE 113          2HG1      ILE 113   8.451   1.181   1.467
  891   1HG2  ILE 113          1HG2      ILE 113   7.379  -0.592   5.257
  892   2HG2  ILE 113          2HG2      ILE 113   7.868   1.120   5.247
  893   3HG2  ILE 113          3HG2      ILE 113   6.332   0.607   4.523
  894   1HD1  ILE 113          1HD1      ILE 113   6.922   2.983   1.620
  895   2HD1  ILE 113          2HD1      ILE 113   6.025   1.493   1.985
  896   3HD1  ILE 113          3HD1      ILE 113   6.517   2.604   3.299
  897    HA   PRO 114           HA       PRO 114  10.741  -3.666   5.963
  898   1HB   PRO 114          1HB       PRO 114   9.630  -2.342   8.420
  899   2HB   PRO 114          2HB       PRO 114  11.155  -3.247   8.220
  900   1HG   PRO 114          1HG       PRO 114  11.139  -0.524   8.360
  901   2HG   PRO 114          2HG       PRO 114  12.235  -1.389   7.235
  902   1HD   PRO 114          1HD       PRO 114   9.608  -0.028   6.617
  903   2HD   PRO 114          2HD       PRO 114  11.146  -0.019   5.709
  904    H    ASP 115           H        ASP 115   9.524  -5.238   7.455
  905    HA   ASP 115           HA       ASP 115   6.588  -5.175   6.916
  906   1HB   ASP 115          1HB       ASP 115   7.599  -6.911   5.614
  907   2HB   ASP 115          2HB       ASP 115   8.476  -7.527   7.017
  908    HA   PRO 116           HA       PRO 116   6.989  -5.180  11.419
  909   1HB   PRO 116          1HB       PRO 116   4.749  -3.875  12.104
  910   2HB   PRO 116          2HB       PRO 116   6.057  -3.037  11.223
  911   1HG   PRO 116          1HG       PRO 116   3.533  -4.271  10.072
  912   2HG   PRO 116          2HG       PRO 116   4.184  -2.629   9.779
  913   1HD   PRO 116          1HD       PRO 116   4.669  -4.801   8.127
  914   2HD   PRO 116          2HD       PRO 116   5.832  -3.458   8.320
  915    H    TYR 117           H        TYR 117   5.040  -7.170   9.483
  916    HA   TYR 117           HA       TYR 117   2.849  -7.980  10.312
  917   1HB   TYR 117          1HB       TYR 117   4.176  -9.231   8.749
  918   2HB   TYR 117          2HB       TYR 117   5.164  -9.907  10.038
  919    HD1  TYR 117           HD1      TYR 117   4.712 -12.181  10.379
  920    HD2  TYR 117           HD2      TYR 117   1.475  -9.541   9.307
  921    HE1  TYR 117           HE1      TYR 117   3.130 -14.085  10.498
  922    HE2  TYR 117           HE2      TYR 117  -0.125 -11.432   9.451
  923    HH   TYR 117           HH       TYR 117  -0.399 -13.705   9.954
  924    H    ARG 118           H        ARG 118   5.395  -9.620  12.386
  925    HA   ARG 118           HA       ARG 118   3.542  -9.127  14.683
  926   1HB   ARG 118          1HB       ARG 118   4.651 -11.791  13.780
  927   2HB   ARG 118          2HB       ARG 118   4.589 -11.469  15.500
  928   1HG   ARG 118          1HG       ARG 118   2.582 -12.487  15.226
  929   2HG   ARG 118          2HG       ARG 118   2.128 -10.789  15.181
  930   1HD   ARG 118          1HD       ARG 118   2.234 -11.029  12.587
  931   2HD   ARG 118          2HD       ARG 118   2.389 -12.756  12.880
  932    HE   ARG 118           HE       ARG 118   0.164 -12.888  13.422
  933   1HH1  ARG 118          1HH2      ARG 118   1.051  -9.401  13.296
  934   2HH1  ARG 118          2HH2      ARG 118  -0.622  -8.916  13.486
  935   1HH2  ARG 118          1HH1      ARG 118  -2.056 -12.031  13.562
  936   2HH2  ARG 118          2HH1      ARG 118  -2.253 -10.287  13.524
  937    H    LYS 119           H        LYS 119   5.732  -7.582  13.709
  938    HA   LYS 119           HA       LYS 119   7.936  -7.935  15.639
  939   1HB   LYS 119          1HB       LYS 119   7.263  -5.568  13.854
  940   2HB   LYS 119          2HB       LYS 119   8.810  -5.904  14.629
  941   1HG   LYS 119          1HG       LYS 119   7.570  -7.532  12.361
  942   2HG   LYS 119          2HG       LYS 119   8.817  -6.304  12.197
  943   1HD   LYS 119          1HD       LYS 119  10.423  -7.648  13.423
  944   2HD   LYS 119          2HD       LYS 119   9.183  -8.839  13.836
  945   1HE   LYS 119          1HE       LYS 119  10.595  -9.635  11.993
  946   2HE   LYS 119          2HE       LYS 119   8.905  -9.493  11.516
  947   1HZ   LYS 119          1HZ       LYS 119  10.451  -8.641   9.843
  948   2HZ   LYS 119          2HZ       LYS 119   9.427  -7.468  10.328
  949   3HZ   LYS 119          3HZ       LYS 119  10.989  -7.491  10.860
  950    H    SER 120           H        SER 120   8.412  -5.749  16.887
  951    HA   SER 120           HA       SER 120   6.373  -5.442  18.836
  952   1HB   SER 120          1HB       SER 120   8.773  -3.663  18.238
  953   2HB   SER 120          2HB       SER 120   7.927  -3.812  19.793
  954    HG   SER 120           HG       SER 120   9.835  -5.083  19.716
  955    H    ARG 121           H        ARG 121   5.313  -3.395  19.522
  956    HA   ARG 121           HA       ARG 121   3.880  -2.059  17.479
  957   1HB   ARG 121          1HB       ARG 121   3.025  -2.125  19.732
  958   2HB   ARG 121          2HB       ARG 121   4.447  -1.284  20.368
  959   1HG   ARG 121          1HG       ARG 121   3.836   0.764  19.190
  960   2HG   ARG 121          2HG       ARG 121   2.474  -0.041  18.400
  961   1HD   ARG 121          1HD       ARG 121   1.181  -0.061  20.336
  962   2HD   ARG 121          2HD       ARG 121   2.574  -0.036  21.414
  963    HE   ARG 121           HE       ARG 121   1.227   2.273  20.171
  964   1HH1  ARG 121          1HH2      ARG 121   4.152   1.157  21.892
  965   2HH1  ARG 121          2HH2      ARG 121   4.619   2.738  22.390
  966   1HH2  ARG 121          1HH1      ARG 121   1.838   4.355  20.862
  967   2HH2  ARG 121          2HH1      ARG 121   3.282   4.589  21.798
  968    H    GLU 122           H        GLU 122   7.012  -1.157  19.019
  969    HA   GLU 122           HA       GLU 122   7.148   1.405  17.827
  970   1HB   GLU 122          1HB       GLU 122   9.536   1.333  18.289
  971   2HB   GLU 122          2HB       GLU 122   8.582   0.796  19.669
  972   1HG   GLU 122          1HG       GLU 122   9.108  -1.564  19.134
  973   2HG   GLU 122          2HG       GLU 122  10.055  -1.049  17.735
  974    H    THR 123           H        THR 123   7.813  -1.819  16.448
  975    HA   THR 123           HA       THR 123   9.098  -0.767  14.071
  976    HB   THR 123           HB       THR 123   7.659  -3.419  14.287
  977    HG1  THR 123           1HG      THR 123  10.182  -2.766  15.411
  978   1HG2  THR 123          1HG2      THR 123  10.211  -2.519  12.879
  979   2HG2  THR 123          2HG2      THR 123   9.608  -4.186  12.914
  980   3HG2  THR 123          3HG2      THR 123   8.658  -2.921  12.117
  981    H    PHE 124           H        PHE 124   5.715  -1.737  14.980
  982    HA   PHE 124           HA       PHE 124   4.558  -1.120  12.436
  983   1HB   PHE 124          1HB       PHE 124   3.459  -1.218  15.255
  984   2HB   PHE 124          2HB       PHE 124   2.507  -0.548  13.945
  985    HD1  PHE 124           HD1      PHE 124   3.900  -3.680  15.320
  986    HD2  PHE 124           HD2      PHE 124   1.663  -1.875  12.098
  987    HE1  PHE 124           HE1      PHE 124   3.067  -5.910  14.637
  988    HE2  PHE 124           HE2      PHE 124   0.842  -4.113  11.422
  989    HZ   PHE 124           HZ       PHE 124   1.526  -6.132  12.703
  990    H    ALA 125           H        ALA 125   5.307   0.987  15.278
  991    HA   ALA 125           HA       ALA 125   4.149   3.338  14.169
  992   1HB   ALA 125          1HB       ALA 125   4.752   3.080  16.557
  993   2HB   ALA 125          2HB       ALA 125   6.478   3.107  16.121
  994   3HB   ALA 125          3HB       ALA 125   5.469   4.536  15.838
  995    H    ALA 126           H        ALA 126   7.519   2.054  13.926
  996    HA   ALA 126           HA       ALA 126   8.559   4.206  12.391
  997   1HB   ALA 126          1HB       ALA 126   9.969   2.485  13.463
  998   2HB   ALA 126          2HB       ALA 126   9.335   1.251  12.349
  999   3HB   ALA 126          3HB       ALA 126  10.306   2.599  11.724
 1000    H    VAL 127           H        VAL 127   7.101   1.075  11.295
 1001    HA   VAL 127           HA       VAL 127   7.257   1.702   8.530
 1002    HB   VAL 127           HB       VAL 127   5.509  -0.223  10.111
 1003   1HG1  VAL 127          1HG1      VAL 127   4.288   0.197   8.049
 1004   2HG1  VAL 127          2HG1      VAL 127   5.773   0.065   7.084
 1005   3HG1  VAL 127          3HG1      VAL 127   5.101  -1.358   7.898
 1006   1HG2  VAL 127          1HG2      VAL 127   7.090  -1.894   9.222
 1007   2HG2  VAL 127          2HG2      VAL 127   7.928  -0.640   8.291
 1008   3HG2  VAL 127          3HG2      VAL 127   7.995  -0.641  10.064
 1009    H    TYR 128           H        TYR 128   4.588   2.309  10.916
 1010    HA   TYR 128           HA       TYR 128   2.768   3.429   9.081
 1011   1HB   TYR 128          1HB       TYR 128   2.109   2.909  11.355
 1012   2HB   TYR 128          2HB       TYR 128   3.274   4.053  12.016
 1013    HD1  TYR 128           HD1      TYR 128  -0.057   3.687  10.491
 1014    HD2  TYR 128           HD2      TYR 128   2.952   6.511  11.774
 1015    HE1  TYR 128           HE1      TYR 128  -1.666   5.552  10.176
 1016    HE2  TYR 128           HE2      TYR 128   1.381   8.371  11.384
 1017    HH   TYR 128           HH       TYR 128  -0.552   8.938  10.277
 1018    H    THR 129           H        THR 129   5.489   5.022  10.865
 1019    HA   THR 129           HA       THR 129   4.905   7.630   9.893
 1020    HB   THR 129           HB       THR 129   7.585   6.470  10.785
 1021    HG1  THR 129           1HG      THR 129   6.085   6.124  12.385
 1022   1HG2  THR 129          1HG2      THR 129   7.827   8.708   9.777
 1023   2HG2  THR 129          2HG2      THR 129   6.517   9.333  10.800
 1024   3HG2  THR 129          3HG2      THR 129   8.048   8.795  11.530
 1025    H    LEU 130           H        LEU 130   7.107   5.065   8.637
 1026    HA   LEU 130           HA       LEU 130   8.100   6.580   6.436
 1027   1HB   LEU 130          1HB       LEU 130   9.184   4.616   7.376
 1028   2HB   LEU 130          2HB       LEU 130   7.821   3.590   6.938
 1029    HG   LEU 130           HG       LEU 130   8.340   3.687   4.617
 1030   1HD1  LEU 130          1HD1      LEU 130  10.496   5.752   5.291
 1031   2HD1  LEU 130          2HD1      LEU 130  10.293   4.964   3.713
 1032   3HD1  LEU 130          3HD1      LEU 130   9.039   6.044   4.307
 1033   1HD2  LEU 130          1HD2      LEU 130   9.707   2.197   6.086
 1034   2HD2  LEU 130          2HD2      LEU 130  10.566   2.678   4.608
 1035   3HD2  LEU 130          3HD2      LEU 130  10.957   3.442   6.163
 1036    H    LEU 131           H        LEU 131   5.229   4.460   6.774
 1037    HA   LEU 131           HA       LEU 131   4.418   4.701   4.022
 1038   1HB   LEU 131          1HB       LEU 131   2.904   4.008   6.580
 1039   2HB   LEU 131          2HB       LEU 131   2.131   4.046   4.998
 1040    HG   LEU 131           HG       LEU 131   4.501   2.247   5.655
 1041   1HD1  LEU 131          1HD1      LEU 131   2.491   1.626   6.970
 1042   2HD1  LEU 131          2HD1      LEU 131   1.525   1.588   5.477
 1043   3HD1  LEU 131          3HD1      LEU 131   2.845   0.423   5.718
 1044   1HD2  LEU 131          1HD2      LEU 131   4.244   2.807   3.233
 1045   2HD2  LEU 131          2HD2      LEU 131   3.941   1.125   3.597
 1046   3HD2  LEU 131          3HD2      LEU 131   2.578   2.230   3.296
 1047    H    GLU 132           H        GLU 132   3.626   6.617   6.970
 1048    HA   GLU 132           HA       GLU 132   1.711   8.246   5.675
 1049   1HB   GLU 132          1HB       GLU 132   1.936   8.045   8.113
 1050   2HB   GLU 132          2HB       GLU 132   3.486   8.899   8.064
 1051   1HG   GLU 132          1HG       GLU 132   2.395  10.932   7.268
 1052   2HG   GLU 132          2HG       GLU 132   0.866  10.084   7.046
 1053    H    ARG 133           H        ARG 133   5.298   8.646   6.002
 1054    HA   ARG 133           HA       ARG 133   5.456  11.107   4.556
 1055   1HB   ARG 133          1HB       ARG 133   7.403   8.757   4.783
 1056   2HB   ARG 133          2HB       ARG 133   7.768  10.248   3.903
 1057   1HG   ARG 133          1HG       ARG 133   7.433  11.578   5.943
 1058   2HG   ARG 133          2HG       ARG 133   7.007  10.110   6.835
 1059   1HD   ARG 133          1HD       ARG 133   9.321  10.782   7.293
 1060   2HD   ARG 133          2HD       ARG 133   9.250   9.203   6.522
 1061    HE   ARG 133           HE       ARG 133  10.046  11.790   5.245
 1062   1HH1  ARG 133          1HH2      ARG 133  10.240   8.240   5.245
 1063   2HH1  ARG 133          2HH2      ARG 133  11.421   8.162   3.972
 1064   1HH2  ARG 133          1HH1      ARG 133  11.648  11.679   3.598
 1065   2HH2  ARG 133          2HH1      ARG 133  12.229  10.143   3.033
 1066    H    SER 134           H        SER 134   5.661   7.728   3.398
 1067    HA   SER 134           HA       SER 134   6.048   8.379   0.672
 1068   1HB   SER 134          1HB       SER 134   4.716   5.913   1.858
 1069   2HB   SER 134          2HB       SER 134   5.407   6.052   0.230
 1070    HG   SER 134           HG       SER 134   6.724   6.093   2.752
 1071    H    ALA 135           H        ALA 135   2.989   7.710   2.451
 1072    HA   ALA 135           HA       ALA 135   1.234   8.086   0.261
 1073   1HB   ALA 135          1HB       ALA 135   0.551   7.015   2.371
 1074   2HB   ALA 135          2HB       ALA 135   0.792   8.547   3.246
 1075   3HB   ALA 135          3HB       ALA 135  -0.483   8.417   2.018
 1076    H    ARG 136           H        ARG 136   2.608  10.452   2.639
 1077    HA   ARG 136           HA       ARG 136   1.069  12.663   1.698
 1078   1HB   ARG 136          1HB       ARG 136   2.410  12.440   3.862
 1079   2HB   ARG 136          2HB       ARG 136   3.865  12.772   2.922
 1080   1HG   ARG 136          1HG       ARG 136   2.954  14.988   2.287
 1081   2HG   ARG 136          2HG       ARG 136   1.431  14.608   3.119
 1082   1HD   ARG 136          1HD       ARG 136   2.780  14.289   5.257
 1083   2HD   ARG 136          2HD       ARG 136   4.190  14.882   4.383
 1084    HE   ARG 136           HE       ARG 136   3.330  17.036   4.354
 1085   1HH1  ARG 136          1HH2      ARG 136   0.884  14.846   5.759
 1086   2HH1  ARG 136          2HH2      ARG 136   0.050  16.114   6.586
 1087   1HH2  ARG 136          1HH1      ARG 136   2.139  18.709   5.369
 1088   2HH2  ARG 136          2HH1      ARG 136   0.733  18.354   6.297
 1089    H    GLN 137           H        GLN 137   4.273  11.358   0.685
 1090    HA   GLN 137           HA       GLN 137   4.823  13.426  -1.199
 1091   1HB   GLN 137          1HB       GLN 137   5.726  10.526  -1.106
 1092   2HB   GLN 137          2HB       GLN 137   6.399  11.750  -2.179
 1093   1HG   GLN 137          1HG       GLN 137   6.428  12.171   0.832
 1094   2HG   GLN 137          2HG       GLN 137   7.610  11.135   0.047
 1095   1HE2  GLN 137          2HE2      GLN 137   9.127  12.700   1.042
 1096   2HE2  GLN 137          1HE2      GLN 137   9.493  14.169   0.172
 1097    H    TRP 138           H        TRP 138   3.219  10.190  -1.584
 1098    HA   TRP 138           HA       TRP 138   2.568  10.469  -4.312
 1099   1HB   TRP 138          1HB       TRP 138   1.338   8.927  -2.018
 1100   2HB   TRP 138          2HB       TRP 138   0.478   9.048  -3.545
 1101    HD1  TRP 138           HD1      TRP 138   3.248   7.112  -1.955
 1102    HE1  TRP 138           HE1      TRP 138   4.470   5.662  -3.628
 1103    HE3  TRP 138           HE3      TRP 138   1.072   8.909  -6.213
 1104    HZ2  TRP 138           HZ2      TRP 138   4.504   5.314  -6.555
 1105    HZ3  TRP 138           HZ3      TRP 138   1.728   8.022  -8.430
 1106    HH2  TRP 138           HH2      TRP 138   3.442   6.239  -8.608
 1107    H    ALA 139           H        ALA 139   0.660  11.524  -1.427
 1108    HA   ALA 139           HA       ALA 139  -1.470  12.648  -2.880
 1109   1HB   ALA 139          1HB       ALA 139  -1.903  13.934  -0.818
 1110   2HB   ALA 139          2HB       ALA 139  -1.523  12.235  -0.454
 1111   3HB   ALA 139          3HB       ALA 139  -0.305  13.504  -0.190
 1112    H    GLN 140           H        GLN 140   1.631  14.180  -1.833
 1113    HA   GLN 140           HA       GLN 140   1.024  16.792  -2.651
 1114   1HB   GLN 140          1HB       GLN 140   2.886  16.245  -1.204
 1115   2HB   GLN 140          2HB       GLN 140   3.656  15.281  -2.461
 1116   1HG   GLN 140          1HG       GLN 140   4.827  17.353  -2.194
 1117   2HG   GLN 140          2HG       GLN 140   4.099  17.305  -3.791
 1118   1HE2  GLN 140          2HE2      GLN 140   2.108  18.644  -4.163
 1119   2HE2  GLN 140          1HE2      GLN 140   1.869  20.076  -3.178
 1120    H    ALA 141           H        ALA 141   2.279  14.042  -4.587
 1121    HA   ALA 141           HA       ALA 141   2.608  15.643  -6.989
 1122   1HB   ALA 141          1HB       ALA 141   2.425  12.617  -6.604
 1123   2HB   ALA 141          2HB       ALA 141   2.975  13.472  -8.060
 1124   3HB   ALA 141          3HB       ALA 141   3.916  13.587  -6.564
 1125    H    LEU 142           H        LEU 142   0.224  13.148  -5.951
 1126    HA   LEU 142           HA       LEU 142  -1.398  13.332  -8.257
 1127   1HB   LEU 142          1HB       LEU 142  -2.033  12.416  -5.426
 1128   2HB   LEU 142          2HB       LEU 142  -3.134  12.197  -6.778
 1129    HG   LEU 142           HG       LEU 142  -0.316  11.027  -6.687
 1130   1HD1  LEU 142          1HD1      LEU 142  -1.425   8.877  -6.216
 1131   2HD1  LEU 142          2HD1      LEU 142  -1.758  10.055  -4.937
 1132   3HD1  LEU 142          3HD1      LEU 142  -3.000   9.694  -6.158
 1133   1HD2  LEU 142          1HD2      LEU 142  -1.060   9.597  -8.532
 1134   2HD2  LEU 142          2HD2      LEU 142  -2.628  10.425  -8.577
 1135   3HD2  LEU 142          3HD2      LEU 142  -1.132  11.293  -9.001
 1136    H    ASN 143           H        ASN 143  -1.506  15.269  -5.287
 1137    HA   ASN 143           HA       ASN 143  -3.959  16.596  -5.632
 1138   1HB   ASN 143          1HB       ASN 143  -2.586  16.774  -3.605
 1139   2HB   ASN 143          2HB       ASN 143  -1.302  17.574  -4.511
 1140   1HD2  ASN 143          2HD2      ASN 143  -1.267  19.768  -4.133
 1141   2HD2  ASN 143          1HD2      ASN 143  -2.673  20.754  -3.834
 1142    H    ALA 144           H        ALA 144  -0.959  16.958  -7.463
 1143    HA   ALA 144           HA       ALA 144  -2.164  19.225  -8.944
 1144   1HB   ALA 144          1HB       ALA 144   0.793  18.538  -8.596
 1145   2HB   ALA 144          2HB       ALA 144   0.142  19.928  -9.491
 1146   3HB   ALA 144          3HB       ALA 144  -0.060  19.840  -7.733
 1147    H    GLU 145           H        GLU 145  -2.434  16.335  -9.123
 1148    HA   GLU 145           HA       GLU 145  -2.422  14.586 -10.575
 1149   1HB   GLU 145          1HB       GLU 145  -4.045  15.034 -12.346
 1150   2HB   GLU 145          2HB       GLU 145  -4.493  15.719 -10.794
 1151   1HG   GLU 145          1HG       GLU 145  -3.811  17.974 -11.566
 1152   2HG   GLU 145          2HG       GLU 145  -3.325  17.294 -13.121
 1153    H    GLN 146           H        GLN 146   0.167  15.520 -10.745
 1154    HA   GLN 146           HA       GLN 146   0.850  14.262 -13.255
 1155   1HB   GLN 146          1HB       GLN 146   1.877  17.039 -12.464
 1156   2HB   GLN 146          2HB       GLN 146   2.866  15.920 -13.386
 1157   1HG   GLN 146          1HG       GLN 146   2.010  16.882 -15.189
 1158   2HG   GLN 146          2HG       GLN 146   0.646  15.813 -14.934
 1159   1HE2  GLN 146          2HE2      GLN 146  -1.354  16.746 -14.200
 1160   2HE2  GLN 146          1HE2      GLN 146  -1.613  18.478 -14.181
 1161    H    VAL 147           H        VAL 147   2.930  13.327 -13.132
 1162    HA   VAL 147           HA       VAL 147   4.040  12.835 -10.454
 1163    HB   VAL 147           HB       VAL 147   3.796  10.342 -11.014
 1164   1HG1  VAL 147          1HG1      VAL 147   2.480  11.483  -9.234
 1165   2HG1  VAL 147          2HG1      VAL 147   1.198  11.831 -10.415
 1166   3HG1  VAL 147          3HG1      VAL 147   1.598  10.159  -9.987
 1167   1HG2  VAL 147          1HG2      VAL 147   3.054  10.613 -13.407
 1168   2HG2  VAL 147          2HG2      VAL 147   1.961   9.625 -12.445
 1169   3HG2  VAL 147          3HG2      VAL 147   1.515  11.295 -12.833
  Start of MODEL    7
    1    H    MET   1           H        MET   1  -6.688  12.018 -12.769
    2    HA   MET   1           HA       MET   1  -4.611  11.313 -10.806
    3   1HB   MET   1          1HB       MET   1  -7.660  11.216 -10.580
    4   2HB   MET   1          2HB       MET   1  -6.557  10.452  -9.442
    5   1HG   MET   1          1HG       MET   1  -6.714  13.430  -9.990
    6   2HG   MET   1          2HG       MET   1  -7.413  12.599  -8.617
    7   1HE   MET   1          1HE       MET   1  -5.428  10.760  -7.193
    8   2HE   MET   1          2HE       MET   1  -4.569  11.947  -6.193
    9   3HE   MET   1          3HE       MET   1  -6.315  12.121  -6.457
   10    H    PHE   2           H        PHE   2  -4.339   9.010 -10.425
   11    HA   PHE   2           HA       PHE   2  -4.831   7.234 -12.615
   12   1HB   PHE   2          1HB       PHE   2  -4.343   6.546  -9.698
   13   2HB   PHE   2          2HB       PHE   2  -4.129   5.473 -11.069
   14    HD1  PHE   2           HD1      PHE   2  -2.376   7.463  -8.781
   15    HD2  PHE   2           HD2      PHE   2  -2.470   6.480 -12.985
   16    HE1  PHE   2           HE1      PHE   2   0.008   8.102  -8.987
   17    HE2  PHE   2           HE2      PHE   2  -0.087   7.141 -13.185
   18    HZ   PHE   2           HZ       PHE   2   1.157   7.953 -11.188
   19    H    ASN   3           H        ASN   3  -6.786   8.209  -9.920
   20    HA   ASN   3           HA       ASN   3  -8.914   8.039  -9.362
   21   1HB   ASN   3          1HB       ASN   3  -9.522   8.270 -11.699
   22   2HB   ASN   3          2HB       ASN   3  -9.346   6.532 -11.955
   23   1HD2  ASN   3          2HD2      ASN   3 -11.283   8.988 -10.160
   24   2HD2  ASN   3          1HD2      ASN   3 -12.656   7.944  -9.920
   25    H    ASN   4           H        ASN   4  -7.707   4.855 -10.530
   26    HA   ASN   4           HA       ASN   4  -9.018   3.597  -8.147
   27   1HB   ASN   4          1HB       ASN   4 -10.344   3.307 -10.260
   28   2HB   ASN   4          2HB       ASN   4  -8.934   2.551 -11.013
   29   1HD2  ASN   4          2HD2      ASN   4  -9.821   0.396 -11.240
   30   2HD2  ASN   4          1HD2      ASN   4 -10.232  -0.554  -9.843
   31    H    ILE   5           H        ILE   5  -7.408   2.817  -6.897
   32    HA   ILE   5           HA       ILE   5  -4.884   1.845  -8.196
   33    HB   ILE   5           HB       ILE   5  -5.310   3.533  -5.716
   34   1HG1  ILE   5          1HG1      ILE   5  -4.107   4.364  -8.386
   35   2HG1  ILE   5          2HG1      ILE   5  -5.692   4.834  -7.780
   36   1HG2  ILE   5          1HG2      ILE   5  -3.322   2.150  -5.351
   37   2HG2  ILE   5          2HG2      ILE   5  -2.652   2.668  -6.908
   38   3HG2  ILE   5          3HG2      ILE   5  -2.848   3.807  -5.557
   39   1HD1  ILE   5          1HD1      ILE   5  -3.023   5.734  -6.713
   40   2HD1  ILE   5          2HD1      ILE   5  -4.366   6.692  -7.358
   41   3HD1  ILE   5          3HD1      ILE   5  -4.542   5.887  -5.791
   42    H    LEU   6           H        LEU   6  -3.699   0.254  -6.968
   43    HA   LEU   6           HA       LEU   6  -5.125  -0.919  -4.624
   44   1HB   LEU   6          1HB       LEU   6  -5.401  -2.320  -6.751
   45   2HB   LEU   6          2HB       LEU   6  -3.652  -2.518  -6.738
   46    HG   LEU   6           HG       LEU   6  -3.894  -3.585  -4.432
   47   1HD1  LEU   6          1HD1      LEU   6  -6.039  -4.401  -3.712
   48   2HD1  LEU   6          2HD1      LEU   6  -6.258  -2.678  -4.035
   49   3HD1  LEU   6          3HD1      LEU   6  -6.828  -3.856  -5.206
   50   1HD2  LEU   6          1HD2      LEU   6  -3.537  -4.914  -6.460
   51   2HD2  LEU   6          2HD2      LEU   6  -4.674  -5.745  -5.382
   52   3HD2  LEU   6          3HD2      LEU   6  -5.275  -4.892  -6.818
   53    H    VAL   7           H        VAL   7  -3.728  -1.441  -2.936
   54    HA   VAL   7           HA       VAL   7  -0.820  -1.259  -3.508
   55    HB   VAL   7           HB       VAL   7  -1.412   0.658  -2.265
   56   1HG1  VAL   7          1HG1      VAL   7  -3.501   0.071  -1.203
   57   2HG1  VAL   7          2HG1      VAL   7  -2.703  -1.159  -0.199
   58   3HG1  VAL   7          3HG1      VAL   7  -2.350   0.567   0.029
   59   1HG2  VAL   7          1HG2      VAL   7   0.096   0.444  -0.400
   60   2HG2  VAL   7          2HG2      VAL   7  -0.082  -1.324  -0.387
   61   3HG2  VAL   7          3HG2      VAL   7   0.717  -0.508  -1.751
   62    H    VAL   8           H        VAL   8   0.466  -2.926  -2.807
   63    HA   VAL   8           HA       VAL   8  -0.982  -5.283  -1.708
   64    HB   VAL   8           HB       VAL   8   0.956  -5.318  -4.046
   65   1HG1  VAL   8          1HG1      VAL   8   0.653  -7.488  -2.895
   66   2HG1  VAL   8          2HG1      VAL   8  -1.116  -7.352  -3.116
   67   3HG1  VAL   8          3HG1      VAL   8  -0.046  -7.527  -4.512
   68   1HG2  VAL   8          1HG2      VAL   8  -2.079  -5.218  -4.214
   69   2HG2  VAL   8          2HG2      VAL   8  -0.935  -4.026  -4.871
   70   3HG2  VAL   8          3HG2      VAL   8  -0.996  -5.641  -5.561
   71    H    CYS   9           H        CYS   9   0.281  -6.562  -0.236
   72    HA   CYS   9           HA       CYS   9   3.201  -6.433  -0.517
   73   1HB   CYS   9          1HB       CYS   9   3.673  -5.799   1.759
   74   2HB   CYS   9          2HB       CYS   9   2.639  -4.560   1.044
   75    HG   CYS   9           HG       CYS   9   0.435  -5.262   2.055
   76    H    VAL  10           H        VAL  10   4.196  -7.912   1.451
   77    HA   VAL  10           HA       VAL  10   2.658 -10.465   1.257
   78    HB   VAL  10           HB       VAL  10   5.067 -10.574   0.840
   79   1HG1  VAL  10          1HG1      VAL  10   6.703 -10.423   2.669
   80   2HG1  VAL  10          2HG1      VAL  10   5.963  -8.860   2.341
   81   3HG1  VAL  10          3HG1      VAL  10   5.456  -9.800   3.764
   82   1HG2  VAL  10          1HG2      VAL  10   5.514 -12.522   2.216
   83   2HG2  VAL  10          2HG2      VAL  10   4.236 -12.062   3.357
   84   3HG2  VAL  10          3HG2      VAL  10   3.828 -12.524   1.686
   85    H    GLY  11           H        GLY  11   1.597 -11.291   3.075
   86   1HA   GLY  11          1HA       GLY  11   0.877 -11.358   5.299
   87   2HA   GLY  11          2HA       GLY  11   1.658  -9.801   5.625
   88    H    ASN  12           H        ASN  12   0.569  -8.274   3.511
   89    HA   ASN  12           HA       ASN  12  -1.184  -7.054   2.805
   90   1HB   ASN  12          1HB       ASN  12  -2.165  -9.230   2.121
   91   2HB   ASN  12          2HB       ASN  12  -3.001  -9.337   3.659
   92   1HD2  ASN  12          2HD2      ASN  12  -3.453  -6.089   3.213
   93   2HD2  ASN  12          1HD2      ASN  12  -4.906  -6.225   2.256
   94    H    ILE  13           H        ILE  13  -2.203  -8.652   5.845
   95    HA   ILE  13           HA       ILE  13  -4.162  -6.873   6.589
   96    HB   ILE  13           HB       ILE  13  -4.059  -8.013   8.766
   97   1HG1  ILE  13          1HG1      ILE  13  -1.468  -9.295   7.770
   98   2HG1  ILE  13          2HG1      ILE  13  -1.577  -8.065   9.023
   99   1HG2  ILE  13          1HG2      ILE  13  -3.612  -9.978   6.474
  100   2HG2  ILE  13          2HG2      ILE  13  -4.546 -10.229   7.958
  101   3HG2  ILE  13          3HG2      ILE  13  -5.111  -9.066   6.770
  102   1HD1  ILE  13          1HD1      ILE  13  -2.669 -10.900   9.156
  103   2HD1  ILE  13          2HD1      ILE  13  -1.347 -10.193  10.096
  104   3HD1  ILE  13          3HD1      ILE  13  -3.013  -9.645  10.374
  105    H    CYS  14           H        CYS  14  -1.257  -5.493   6.338
  106    HA   CYS  14           HA       CYS  14  -1.731  -3.726   8.671
  107   1HB   CYS  14          1HB       CYS  14   0.757  -3.798   9.192
  108   2HB   CYS  14          2HB       CYS  14  -0.207  -5.201   9.679
  109    HG   CYS  14           HG       CYS  14   0.431  -6.792   7.805
  110    H    ARG  15           H        ARG  15   0.774  -4.172   6.071
  111    HA   ARG  15           HA       ARG  15   1.073  -1.318   5.976
  112   1HB   ARG  15          1HB       ARG  15   2.108  -3.473   4.080
  113   2HB   ARG  15          2HB       ARG  15   2.632  -1.785   4.099
  114   1HG   ARG  15          1HG       ARG  15   3.446  -1.981   6.374
  115   2HG   ARG  15          2HG       ARG  15   2.882  -3.644   6.513
  116   1HD   ARG  15          1HD       ARG  15   4.960  -2.710   4.500
  117   2HD   ARG  15          2HD       ARG  15   5.298  -3.412   6.084
  118    HE   ARG  15           HE       ARG  15   3.635  -5.269   4.874
  119   1HH1  ARG  15          1HH2      ARG  15   6.919  -3.941   4.340
  120   2HH1  ARG  15          2HH2      ARG  15   7.397  -5.327   3.378
  121   1HH2  ARG  15          1HH1      ARG  15   4.513  -7.191   3.822
  122   2HH2  ARG  15          2HH1      ARG  15   6.139  -7.059   3.135
  123    H    SER  16           H        SER  16  -0.447  -3.639   3.644
  124    HA   SER  16           HA       SER  16  -1.155  -1.743   1.753
  125   1HB   SER  16          1HB       SER  16  -2.837  -4.155   2.469
  126   2HB   SER  16          2HB       SER  16  -2.715  -3.327   0.907
  127    HG   SER  16           HG       SER  16  -1.470  -5.179   0.888
  128    HA   PRO  17           HA       PRO  17  -5.315  -0.764   3.827
  129   1HB   PRO  17          1HB       PRO  17  -5.682  -1.156   6.550
  130   2HB   PRO  17          2HB       PRO  17  -6.209  -2.255   5.255
  131   1HG   PRO  17          1HG       PRO  17  -3.708  -2.407   6.940
  132   2HG   PRO  17          2HG       PRO  17  -4.823  -3.735   6.513
  133   1HD   PRO  17          1HD       PRO  17  -2.515  -3.369   5.159
  134   2HD   PRO  17          2HD       PRO  17  -4.008  -3.850   4.306
  135    H    THR  18           H        THR  18  -2.346  -0.439   5.851
  136    HA   THR  18           HA       THR  18  -3.049   2.119   6.955
  137    HB   THR  18           HB       THR  18  -0.339   0.838   6.411
  138    HG1  THR  18           1HG      THR  18  -1.339  -0.405   7.831
  139   1HG2  THR  18          1HG2      THR  18   0.428   2.355   8.280
  140   2HG2  THR  18          2HG2      THR  18   0.041   3.197   6.777
  141   3HG2  THR  18          3HG2      THR  18  -1.114   3.232   8.124
  142    H    ALA  19           H        ALA  19  -1.098   1.174   4.048
  143    HA   ALA  19           HA       ALA  19  -0.626   3.805   3.091
  144   1HB   ALA  19          1HB       ALA  19   0.628   2.053   2.099
  145   2HB   ALA  19          2HB       ALA  19  -0.818   1.064   1.786
  146   3HB   ALA  19          3HB       ALA  19  -0.536   2.532   0.840
  147    H    GLU  20           H        GLU  20  -3.260   1.471   2.333
  148    HA   GLU  20           HA       GLU  20  -4.564   2.987   0.370
  149   1HB   GLU  20          1HB       GLU  20  -5.004   0.603   0.923
  150   2HB   GLU  20          2HB       GLU  20  -5.687   1.090   2.472
  151   1HG   GLU  20          1HG       GLU  20  -7.218   2.585   0.695
  152   2HG   GLU  20          2HG       GLU  20  -6.836   1.150  -0.244
  153    H    ARG  21           H        ARG  21  -5.311   2.823   3.913
  154    HA   ARG  21           HA       ARG  21  -7.361   4.798   3.735
  155   1HB   ARG  21          1HB       ARG  21  -5.722   3.623   6.005
  156   2HB   ARG  21          2HB       ARG  21  -6.991   4.812   6.288
  157   1HG   ARG  21          1HG       ARG  21  -7.525   2.179   4.843
  158   2HG   ARG  21          2HG       ARG  21  -7.643   2.392   6.588
  159   1HD   ARG  21          1HD       ARG  21  -9.165   4.420   6.059
  160   2HD   ARG  21          2HD       ARG  21  -9.366   3.685   4.454
  161    HE   ARG  21           HE       ARG  21 -10.214   2.686   7.115
  162   1HH1  ARG  21          1HH2      ARG  21  -9.895   1.610   3.683
  163   2HH1  ARG  21          2HH2      ARG  21 -11.281   0.602   3.794
  164   1HH2  ARG  21          1HH1      ARG  21 -11.977   1.300   7.194
  165   2HH2  ARG  21          2HH1      ARG  21 -12.426   0.338   5.834
  166    H    LEU  22           H        LEU  22  -3.840   5.109   4.402
  167    HA   LEU  22           HA       LEU  22  -3.879   7.887   5.087
  168   1HB   LEU  22          1HB       LEU  22  -1.839   6.063   3.766
  169   2HB   LEU  22          2HB       LEU  22  -1.525   7.778   3.946
  170    HG   LEU  22           HG       LEU  22  -2.238   6.070   6.357
  171   1HD1  LEU  22          1HD1      LEU  22  -0.303   5.026   5.338
  172   2HD1  LEU  22          2HD1      LEU  22   0.478   6.580   5.077
  173   3HD1  LEU  22          3HD1      LEU  22   0.255   5.957   6.737
  174   1HD2  LEU  22          1HD2      LEU  22  -1.020   7.865   7.560
  175   2HD2  LEU  22          2HD2      LEU  22  -0.770   8.732   6.031
  176   3HD2  LEU  22          3HD2      LEU  22  -2.407   8.509   6.679
  177    H    LEU  23           H        LEU  23  -3.567   6.238   1.877
  178    HA   LEU  23           HA       LEU  23  -3.426   8.684   0.396
  179   1HB   LEU  23          1HB       LEU  23  -4.170   5.835  -0.345
  180   2HB   LEU  23          2HB       LEU  23  -4.165   7.137  -1.531
  181    HG   LEU  23           HG       LEU  23  -1.701   6.531   0.147
  182   1HD1  LEU  23          1HD1      LEU  23  -2.522   5.289  -2.507
  183   2HD1  LEU  23          2HD1      LEU  23  -0.872   5.262  -1.856
  184   3HD1  LEU  23          3HD1      LEU  23  -2.168   4.457  -0.965
  185   1HD2  LEU  23          1HD2      LEU  23  -0.524   7.636  -1.727
  186   2HD2  LEU  23          2HD2      LEU  23  -2.069   7.927  -2.546
  187   3HD2  LEU  23          3HD2      LEU  23  -1.703   8.725  -1.002
  188    H    GLN  24           H        GLN  24  -6.245   6.682   1.423
  189    HA   GLN  24           HA       GLN  24  -8.196   8.237   0.025
  190   1HB   GLN  24          1HB       GLN  24  -8.380   6.608   2.599
  191   2HB   GLN  24          2HB       GLN  24  -9.758   7.382   1.835
  192   1HG   GLN  24          1HG       GLN  24  -8.046   5.205   0.568
  193   2HG   GLN  24          2HG       GLN  24  -9.647   4.998   1.269
  194   1HE2  GLN  24          2HE2      GLN  24 -11.436   6.488   0.213
  195   2HE2  GLN  24          1HE2      GLN  24 -11.268   6.747  -1.527
  196    H    ARG  25           H        ARG  25  -6.729   8.658   3.331
  197    HA   ARG  25           HA       ARG  25  -8.321  10.906   3.988
  198   1HB   ARG  25          1HB       ARG  25  -7.100   9.739   5.688
  199   2HB   ARG  25          2HB       ARG  25  -5.546  10.064   4.920
  200   1HG   ARG  25          1HG       ARG  25  -5.604  12.377   5.454
  201   2HG   ARG  25          2HG       ARG  25  -7.321  12.342   5.875
  202   1HD   ARG  25          1HD       ARG  25  -5.206  10.789   7.419
  203   2HD   ARG  25          2HD       ARG  25  -5.680  12.452   7.818
  204    HE   ARG  25           HE       ARG  25  -8.067  11.069   7.653
  205   1HH1  ARG  25          1HH2      ARG  25  -5.182  10.840   9.712
  206   2HH1  ARG  25          2HH2      ARG  25  -6.019  10.166  11.067
  207   1HH2  ARG  25          1HH1      ARG  25  -9.188  10.208   9.415
  208   2HH2  ARG  25          2HH1      ARG  25  -8.368   9.717  10.848
  209    H    TYR  26           H        TYR  26  -5.092  10.752   2.357
  210    HA   TYR  26           HA       TYR  26  -4.935  13.580   2.094
  211   1HB   TYR  26          1HB       TYR  26  -3.527  11.400   0.517
  212   2HB   TYR  26          2HB       TYR  26  -3.137  13.118   0.454
  213    HD1  TYR  26           HD1      TYR  26  -1.874  10.225   1.742
  214    HD2  TYR  26           HD2      TYR  26  -3.024  14.167   3.073
  215    HE1  TYR  26           HE1      TYR  26  -0.400   9.998   3.730
  216    HE2  TYR  26           HE2      TYR  26  -1.579  13.932   5.054
  217    HH   TYR  26           HH       TYR  26  -0.156  12.524   6.248
  218    H    HIS  27           H        HIS  27  -6.522  11.187  -0.010
  219    HA   HIS  27           HA       HIS  27  -7.594  13.451  -1.620
  220   1HB   HIS  27          1HB       HIS  27  -6.287  10.922  -2.671
  221   2HB   HIS  27          2HB       HIS  27  -7.430  11.883  -3.609
  222    HD1  HIS  27           HD1      HIS  27  -6.669  14.508  -4.124
  223    HD2  HIS  27           HD2      HIS  27  -3.741  11.746  -2.860
  224    HE1  HIS  27           HE1      HIS  27  -4.414  15.481  -4.788
  225    HA   PRO  28           HA       PRO  28 -10.899  10.823   0.266
  226   1HB   PRO  28          1HB       PRO  28 -12.358  13.416  -0.261
  227   2HB   PRO  28          2HB       PRO  28 -12.503  12.304   1.138
  228   1HG   PRO  28          1HG       PRO  28 -11.045  14.572   1.362
  229   2HG   PRO  28          2HG       PRO  28 -10.401  13.032   2.024
  230   1HD   PRO  28          1HD       PRO  28  -9.716  14.380  -0.599
  231   2HD   PRO  28          2HD       PRO  28  -8.631  13.630   0.608
  232    H    GLU  29           H        GLU  29 -10.783  12.577  -2.799
  233    HA   GLU  29           HA       GLU  29 -13.284  11.523  -3.848
  234   1HB   GLU  29          1HB       GLU  29 -10.917  12.737  -5.344
  235   2HB   GLU  29          2HB       GLU  29 -12.575  12.553  -5.930
  236   1HG   GLU  29          1HG       GLU  29 -13.309  14.094  -4.048
  237   2HG   GLU  29          2HG       GLU  29 -11.595  14.381  -3.708
  238    H    LEU  30           H        LEU  30 -10.147  10.205  -3.385
  239    HA   LEU  30           HA       LEU  30  -9.898   8.800  -5.900
  240   1HB   LEU  30          1HB       LEU  30  -8.114   9.861  -4.372
  241   2HB   LEU  30          2HB       LEU  30  -8.310   8.464  -3.319
  242    HG   LEU  30           HG       LEU  30  -7.424   6.996  -5.081
  243   1HD1  LEU  30          1HD1      LEU  30  -7.369   9.553  -6.752
  244   2HD1  LEU  30          2HD1      LEU  30  -6.488   8.060  -7.178
  245   3HD1  LEU  30          3HD1      LEU  30  -8.251   8.060  -7.109
  246   1HD2  LEU  30          1HD2      LEU  30  -5.781   9.541  -4.669
  247   2HD2  LEU  30          2HD2      LEU  30  -5.874   8.168  -3.547
  248   3HD2  LEU  30          3HD2      LEU  30  -5.131   7.965  -5.141
  249    H    LYS  31           H        LYS  31  -9.516   6.437  -6.002
  250    HA   LYS  31           HA       LYS  31 -10.848   4.874  -3.829
  251   1HB   LYS  31          1HB       LYS  31 -12.247   4.794  -5.816
  252   2HB   LYS  31          2HB       LYS  31 -10.858   4.388  -6.836
  253   1HG   LYS  31          1HG       LYS  31 -10.587   2.233  -5.781
  254   2HG   LYS  31          2HG       LYS  31 -11.823   2.612  -4.563
  255   1HD   LYS  31          1HD       LYS  31 -13.587   2.611  -6.254
  256   2HD   LYS  31          2HD       LYS  31 -12.393   2.552  -7.556
  257   1HE   LYS  31          1HE       LYS  31 -13.236   0.332  -7.368
  258   2HE   LYS  31          2HE       LYS  31 -11.602   0.336  -6.707
  259   1HZ   LYS  31          1HZ       LYS  31 -14.144   0.109  -5.249
  260   2HZ   LYS  31          2HZ       LYS  31 -12.804  -0.855  -5.177
  261   3HZ   LYS  31          3HZ       LYS  31 -12.792   0.611  -4.470
  262    H    VAL  32           H        VAL  32  -9.356   3.818  -2.759
  263    HA   VAL  32           HA       VAL  32  -7.192   2.476  -4.244
  264    HB   VAL  32           HB       VAL  32  -6.796   3.678  -1.475
  265   1HG1  VAL  32          1HG1      VAL  32  -4.391   3.215  -1.966
  266   2HG1  VAL  32          2HG1      VAL  32  -5.356   1.738  -1.983
  267   3HG1  VAL  32          3HG1      VAL  32  -4.858   2.480  -3.510
  268   1HG2  VAL  32          1HG2      VAL  32  -5.253   5.321  -2.567
  269   2HG2  VAL  32          2HG2      VAL  32  -5.893   4.838  -4.145
  270   3HG2  VAL  32          3HG2      VAL  32  -6.943   5.600  -2.959
  271    H    GLU  33           H        GLU  33  -6.976   0.313  -3.588
  272    HA   GLU  33           HA       GLU  33  -8.407  -0.524  -1.109
  273   1HB   GLU  33          1HB       GLU  33  -8.607  -1.842  -3.839
  274   2HB   GLU  33          2HB       GLU  33  -8.941  -2.701  -2.327
  275   1HG   GLU  33          1HG       GLU  33 -10.604  -0.942  -1.708
  276   2HG   GLU  33          2HG       GLU  33 -10.377  -0.200  -3.302
  277    H    SER  34           H        SER  34  -7.592  -2.823  -0.514
  278    HA   SER  34           HA       SER  34  -4.625  -2.798  -0.752
  279   1HB   SER  34          1HB       SER  34  -4.841  -3.361   1.771
  280   2HB   SER  34          2HB       SER  34  -5.059  -1.688   1.237
  281    HG   SER  34           HG       SER  34  -7.213  -1.811   1.585
  282    H    ALA  35           H        ALA  35  -3.594  -4.759  -0.898
  283    HA   ALA  35           HA       ALA  35  -5.071  -7.282  -0.468
  284   1HB   ALA  35          1HB       ALA  35  -4.586  -8.032  -2.778
  285   2HB   ALA  35          2HB       ALA  35  -5.583  -6.573  -2.812
  286   3HB   ALA  35          3HB       ALA  35  -3.840  -6.462  -3.144
  287    H    GLY  36           H        GLY  36  -3.357  -9.158  -1.242
  288   1HA   GLY  36          1HA       GLY  36  -0.590  -8.242  -1.011
  289   2HA   GLY  36          2HA       GLY  36  -1.141  -9.262   0.299
  290    H    LEU  37           H        LEU  37   1.044  -9.797  -1.235
  291    HA   LEU  37           HA       LEU  37   0.491 -11.838  -3.254
  292   1HB   LEU  37          1HB       LEU  37   2.933 -10.761  -1.817
  293   2HB   LEU  37          2HB       LEU  37   3.060 -12.260  -2.720
  294    HG   LEU  37           HG       LEU  37   1.957  -9.763  -4.043
  295   1HD1  LEU  37          1HD1      LEU  37   4.868 -10.658  -3.887
  296   2HD1  LEU  37          2HD1      LEU  37   4.227  -9.339  -4.901
  297   3HD1  LEU  37          3HD1      LEU  37   4.167  -9.208  -3.136
  298   1HD2  LEU  37          1HD2      LEU  37   2.688 -10.885  -6.106
  299   2HD2  LEU  37          2HD2      LEU  37   3.381 -12.226  -5.169
  300   3HD2  LEU  37          3HD2      LEU  37   1.632 -11.982  -5.203
  301    H    GLY  38           H        GLY  38   0.629 -11.775   0.213
  302   1HA   GLY  38          1HA       GLY  38   0.217 -14.697   0.298
  303   2HA   GLY  38          2HA       GLY  38   1.554 -14.026   1.268
  304    H    ALA  39           H        ALA  39  -1.799 -13.092   0.376
  305    HA   ALA  39           HA       ALA  39  -2.175 -11.601   2.845
  306   1HB   ALA  39          1HB       ALA  39  -3.117 -10.929   0.611
  307   2HB   ALA  39          2HB       ALA  39  -4.129 -12.394   0.645
  308   3HB   ALA  39          3HB       ALA  39  -4.375 -11.115   1.845
  309    H    LEU  40           H        LEU  40  -4.297 -11.903   4.020
  310    HA   LEU  40           HA       LEU  40  -4.979 -14.785   4.483
  311   1HB   LEU  40          1HB       LEU  40  -4.749 -12.487   6.482
  312   2HB   LEU  40          2HB       LEU  40  -5.484 -14.059   6.790
  313    HG   LEU  40           HG       LEU  40  -3.182 -15.085   6.185
  314   1HD1  LEU  40          1HD1      LEU  40  -2.001 -13.085   5.332
  315   2HD1  LEU  40          2HD1      LEU  40  -2.318 -12.224   6.849
  316   3HD1  LEU  40          3HD1      LEU  40  -1.243 -13.636   6.815
  317   1HD2  LEU  40          1HD2      LEU  40  -2.438 -14.819   8.526
  318   2HD2  LEU  40          2HD2      LEU  40  -3.553 -13.451   8.734
  319   3HD2  LEU  40          3HD2      LEU  40  -4.182 -15.087   8.438
  320    H    VAL  41           H        VAL  41  -6.658 -14.577   2.916
  321    HA   VAL  41           HA       VAL  41  -8.228 -12.402   2.422
  322    HB   VAL  41           HB       VAL  41  -9.233 -15.273   2.300
  323   1HG1  VAL  41          1HG1      VAL  41  -9.887 -12.811   0.610
  324   2HG1  VAL  41          2HG1      VAL  41 -10.499 -14.456   0.332
  325   3HG1  VAL  41          3HG1      VAL  41 -10.962 -13.583   1.793
  326   1HG2  VAL  41          1HG2      VAL  41  -8.292 -15.261  -0.041
  327   2HG2  VAL  41          2HG2      VAL  41  -7.418 -13.771   0.371
  328   3HG2  VAL  41          3HG2      VAL  41  -7.064 -15.291   1.217
  329    H    GLY  42           H        GLY  42  -9.730 -11.235   3.457
  330   1HA   GLY  42          1HA       GLY  42 -11.439 -10.644   4.825
  331   2HA   GLY  42          2HA       GLY  42 -11.846 -12.356   4.967
  332    H    LYS  43           H        LYS  43  -8.623 -11.753   6.132
  333    HA   LYS  43           HA       LYS  43  -9.463 -12.533   8.751
  334   1HB   LYS  43          1HB       LYS  43  -7.394 -13.196   7.636
  335   2HB   LYS  43          2HB       LYS  43  -6.742 -11.561   7.768
  336   1HG   LYS  43          1HG       LYS  43  -7.650 -13.001  10.264
  337   2HG   LYS  43          2HG       LYS  43  -6.175 -13.557   9.494
  338   1HD   LYS  43          1HD       LYS  43  -4.975 -11.633   9.900
  339   2HD   LYS  43          2HD       LYS  43  -6.380 -10.593   9.999
  340   1HE   LYS  43          1HE       LYS  43  -5.501 -12.609  12.113
  341   2HE   LYS  43          2HE       LYS  43  -5.307 -10.855  12.177
  342   1HZ   LYS  43          1HZ       LYS  43  -7.224 -11.295  13.413
  343   2HZ   LYS  43          2HZ       LYS  43  -7.836 -10.800  11.961
  344   3HZ   LYS  43          3HZ       LYS  43  -7.817 -12.379  12.351
  345    H    GLY  44           H        GLY  44  -9.444  -9.331   7.452
  346   1HA   GLY  44          1HA       GLY  44  -9.898  -7.338   8.569
  347   2HA   GLY  44          2HA       GLY  44  -9.657  -8.130  10.125
  348    H    ALA  45           H        ALA  45  -8.476  -5.660   9.749
  349    HA   ALA  45           HA       ALA  45  -5.688  -5.953   8.954
  350   1HB   ALA  45          1HB       ALA  45  -5.410  -3.765  10.132
  351   2HB   ALA  45          2HB       ALA  45  -6.668  -3.735   8.889
  352   3HB   ALA  45          3HB       ALA  45  -7.122  -3.832  10.604
  353    H    ASP  46           H        ASP  46  -3.897  -5.906  10.429
  354    HA   ASP  46           HA       ASP  46  -4.087  -7.785  12.580
  355   1HB   ASP  46          1HB       ASP  46  -2.051  -7.467  11.252
  356   2HB   ASP  46          2HB       ASP  46  -1.899  -5.804  11.832
  357    HA   PRO  47           HA       PRO  47  -5.591  -5.037  15.784
  358   1HB   PRO  47          1HB       PRO  47  -3.747  -6.651  17.557
  359   2HB   PRO  47          2HB       PRO  47  -5.432  -6.125  17.869
  360   1HG   PRO  47          1HG       PRO  47  -4.936  -8.654  17.043
  361   2HG   PRO  47          2HG       PRO  47  -6.295  -7.731  16.320
  362   1HD   PRO  47          1HD       PRO  47  -3.544  -8.233  15.180
  363   2HD   PRO  47          2HD       PRO  47  -5.140  -8.264  14.366
  364    H    THR  48           H        THR  48  -2.066  -5.508  15.389
  365    HA   THR  48           HA       THR  48  -1.405  -3.274  17.161
  366    HB   THR  48           HB       THR  48   0.632  -4.279  15.261
  367    HG1  THR  48           1HG      THR  48  -0.364  -6.142  15.510
  368   1HG2  THR  48          1HG2      THR  48   2.014  -4.404  17.289
  369   2HG2  THR  48          2HG2      THR  48   1.195  -2.835  17.173
  370   3HG2  THR  48          3HG2      THR  48   0.587  -4.069  18.299
  371    H    ALA  49           H        ALA  49  -1.873  -3.914  13.680
  372    HA   ALA  49           HA       ALA  49  -0.871  -1.355  12.767
  373   1HB   ALA  49          1HB       ALA  49  -1.183  -3.336  11.276
  374   2HB   ALA  49          2HB       ALA  49  -2.934  -3.233  11.517
  375   3HB   ALA  49          3HB       ALA  49  -2.070  -1.910  10.704
  376    H    ILE  50           H        ILE  50  -4.083  -2.686  13.712
  377    HA   ILE  50           HA       ILE  50  -5.570  -0.314  13.286
  378    HB   ILE  50           HB       ILE  50  -5.992  -2.578  15.256
  379   1HG1  ILE  50          1HG1      ILE  50  -7.385  -2.043  12.590
  380   2HG1  ILE  50          2HG1      ILE  50  -6.010  -3.126  12.754
  381   1HG2  ILE  50          1HG2      ILE  50  -7.276  -0.595  16.011
  382   2HG2  ILE  50          2HG2      ILE  50  -7.989  -0.433  14.393
  383   3HG2  ILE  50          3HG2      ILE  50  -8.361  -1.833  15.422
  384   1HD1  ILE  50          1HD1      ILE  50  -7.321  -4.538  14.345
  385   2HD1  ILE  50          2HD1      ILE  50  -8.743  -3.510  14.035
  386   3HD1  ILE  50          3HD1      ILE  50  -8.024  -4.440  12.721
  387    H    SER  51           H        SER  51  -3.899  -1.438  16.386
  388    HA   SER  51           HA       SER  51  -4.850   0.817  17.808
  389   1HB   SER  51          1HB       SER  51  -3.109   0.224  19.475
  390   2HB   SER  51          2HB       SER  51  -4.135  -1.133  18.987
  391    HG   SER  51           HG       SER  51  -1.907  -1.663  19.078
  392    H    VAL  52           H        VAL  52  -1.673   0.316  16.125
  393    HA   VAL  52           HA       VAL  52  -0.667   2.887  16.788
  394    HB   VAL  52           HB       VAL  52  -0.064   0.948  14.528
  395   1HG1  VAL  52          1HG1      VAL  52   0.586   3.181  13.709
  396   2HG1  VAL  52          2HG1      VAL  52   1.486   3.482  15.212
  397   3HG1  VAL  52          3HG1      VAL  52   1.994   2.199  14.085
  398   1HG2  VAL  52          1HG2      VAL  52   1.398   1.744  17.101
  399   2HG2  VAL  52          2HG2      VAL  52   0.552   0.211  16.819
  400   3HG2  VAL  52          3HG2      VAL  52   2.012   0.599  15.902
  401    H    ALA  53           H        ALA  53  -2.833   1.869  14.046
  402    HA   ALA  53           HA       ALA  53  -2.714   4.510  12.869
  403   1HB   ALA  53          1HB       ALA  53  -3.260   2.409  11.633
  404   2HB   ALA  53          2HB       ALA  53  -4.810   2.341  12.514
  405   3HB   ALA  53          3HB       ALA  53  -4.446   3.700  11.419
  406    H    ALA  54           H        ALA  54  -4.740   3.014  15.403
  407    HA   ALA  54           HA       ALA  54  -6.722   5.062  15.483
  408   1HB   ALA  54          1HB       ALA  54  -7.252   4.202  17.700
  409   2HB   ALA  54          2HB       ALA  54  -6.980   2.852  16.583
  410   3HB   ALA  54          3HB       ALA  54  -5.729   3.303  17.766
  411    H    GLU  55           H        GLU  55  -3.420   4.872  16.939
  412    HA   GLU  55           HA       GLU  55  -3.612   7.257  18.451
  413   1HB   GLU  55          1HB       GLU  55  -1.181   6.117  17.013
  414   2HB   GLU  55          2HB       GLU  55  -1.147   7.398  18.214
  415   1HG   GLU  55          1HG       GLU  55  -2.080   5.887  19.920
  416   2HG   GLU  55          2HG       GLU  55  -2.154   4.577  18.747
  417    H    HIS  56           H        HIS  56  -3.877   6.930  15.060
  418    HA   HIS  56           HA       HIS  56  -3.513   9.857  14.641
  419   1HB   HIS  56          1HB       HIS  56  -3.090   7.539  12.728
  420   2HB   HIS  56          2HB       HIS  56  -2.981   9.246  12.292
  421    HD1  HIS  56           HD1      HIS  56  -0.905  10.641  13.637
  422    HD2  HIS  56           HD2      HIS  56  -0.877   6.432  13.652
  423    HE1  HIS  56           HE1      HIS  56   1.436   9.943  14.344
  424    H    GLN  57           H        GLN  57  -5.864   7.889  15.406
  425    HA   GLN  57           HA       GLN  57  -8.053   7.588  14.932
  426   1HB   GLN  57          1HB       GLN  57  -7.799  10.484  14.032
  427   2HB   GLN  57          2HB       GLN  57  -9.305   9.677  14.461
  428   1HG   GLN  57          1HG       GLN  57  -6.979  10.090  16.400
  429   2HG   GLN  57          2HG       GLN  57  -8.367  11.153  16.248
  430   1HE2  GLN  57          2HE2      GLN  57  -7.322   7.902  17.341
  431   2HE2  GLN  57          1HE2      GLN  57  -8.785   7.571  18.238
  432    H    LEU  58           H        LEU  58  -6.595   6.353  12.998
  433    HA   LEU  58           HA       LEU  58  -8.025   6.983  10.442
  434   1HB   LEU  58          1HB       LEU  58  -5.700   7.765  10.553
  435   2HB   LEU  58          2HB       LEU  58  -5.141   6.143  10.905
  436    HG   LEU  58           HG       LEU  58  -4.827   7.137   8.583
  437   1HD1  LEU  58          1HD1      LEU  58  -4.521   4.724   9.206
  438   2HD1  LEU  58          2HD1      LEU  58  -6.162   4.428   8.603
  439   3HD1  LEU  58          3HD1      LEU  58  -4.881   5.045   7.516
  440   1HD2  LEU  58          1HD2      LEU  58  -7.725   6.316   8.143
  441   2HD2  LEU  58          2HD2      LEU  58  -7.158   7.991   8.307
  442   3HD2  LEU  58          3HD2      LEU  58  -6.588   7.008   6.964
  443    H    SER  59           H        SER  59  -9.613   5.505  10.748
  444    HA   SER  59           HA       SER  59  -9.327   3.064  12.065
  445   1HB   SER  59          1HB       SER  59 -11.531   3.898  10.144
  446   2HB   SER  59          2HB       SER  59 -11.651   2.751  11.492
  447    HG   SER  59           HG       SER  59 -12.439   4.837  12.041
  448    H    LEU  60           H        LEU  60  -8.007   1.442  11.317
  449    HA   LEU  60           HA       LEU  60  -8.347   0.422   8.538
  450   1HB   LEU  60          1HB       LEU  60  -6.696  -0.822  10.761
  451   2HB   LEU  60          2HB       LEU  60  -6.577  -1.097   9.032
  452    HG   LEU  60           HG       LEU  60  -5.683   1.342  10.589
  453   1HD1  LEU  60          1HD1      LEU  60  -3.452   0.662   9.859
  454   2HD1  LEU  60          2HD1      LEU  60  -4.249  -0.675  10.697
  455   3HD1  LEU  60          3HD1      LEU  60  -4.130  -0.686   8.925
  456   1HD2  LEU  60          1HD2      LEU  60  -5.666   0.931   7.576
  457   2HD2  LEU  60          2HD2      LEU  60  -6.536   2.175   8.498
  458   3HD2  LEU  60          3HD2      LEU  60  -4.773   2.202   8.442
  459    H    GLU  61           H        GLU  61 -10.147   0.258  11.277
  460    HA   GLU  61           HA       GLU  61 -10.160  -2.346  12.199
  461   1HB   GLU  61          1HB       GLU  61 -11.167  -0.338  13.259
  462   2HB   GLU  61          2HB       GLU  61 -12.505  -0.408  12.106
  463   1HG   GLU  61          1HG       GLU  61 -13.155  -2.629  12.991
  464   2HG   GLU  61          2HG       GLU  61 -11.762  -2.618  14.077
  465    H    GLY  62           H        GLY  62 -12.044  -1.129   9.370
  466   1HA   GLY  62          1HA       GLY  62 -13.385  -3.756   9.156
  467   2HA   GLY  62          2HA       GLY  62 -13.882  -2.240   8.406
  468    H    HIS  63           H        HIS  63 -10.464  -3.040   8.221
  469    HA   HIS  63           HA       HIS  63 -10.344  -3.102   5.392
  470   1HB   HIS  63          1HB       HIS  63  -8.365  -2.687   6.710
  471   2HB   HIS  63          2HB       HIS  63  -8.553  -4.216   7.571
  472    HD1  HIS  63           HD1      HIS  63  -8.089  -3.365   3.748
  473    HD2  HIS  63           HD2      HIS  63  -6.775  -5.921   6.830
  474    HE1  HIS  63           HE1      HIS  63  -6.526  -5.012   2.687
  475    H    CYS  64           H        CYS  64 -10.396  -4.754   3.893
  476    HA   CYS  64           HA       CYS  64 -10.897  -7.532   4.838
  477   1HB   CYS  64          1HB       CYS  64 -12.197  -7.712   2.600
  478   2HB   CYS  64          2HB       CYS  64 -12.977  -7.026   4.028
  479    HG   CYS  64           HG       CYS  64 -13.782  -5.733   1.929
  480    H    ALA  65           H        ALA  65  -8.852  -8.224   4.712
  481    HA   ALA  65           HA       ALA  65  -6.994  -7.716   2.608
  482   1HB   ALA  65          1HB       ALA  65  -6.214  -8.470   4.770
  483   2HB   ALA  65          2HB       ALA  65  -7.271  -9.890   4.725
  484   3HB   ALA  65          3HB       ALA  65  -5.881  -9.784   3.630
  485    H    ARG  66           H        ARG  66  -6.180  -9.346   1.071
  486    HA   ARG  66           HA       ARG  66  -8.004 -11.398   0.120
  487   1HB   ARG  66          1HB       ARG  66  -8.732 -10.317  -1.936
  488   2HB   ARG  66          2HB       ARG  66  -9.266  -9.376  -0.551
  489   1HG   ARG  66          1HG       ARG  66  -7.079  -7.958  -0.973
  490   2HG   ARG  66          2HG       ARG  66  -7.074  -8.755  -2.551
  491   1HD   ARG  66          1HD       ARG  66  -8.185  -6.705  -2.876
  492   2HD   ARG  66          2HD       ARG  66  -9.492  -7.908  -2.805
  493    HE   ARG  66           HE       ARG  66  -8.973  -6.883  -0.184
  494   1HH1  ARG  66          1HH2      ARG  66 -10.306  -5.703  -3.268
  495   2HH1  ARG  66          2HH2      ARG  66 -11.221  -4.433  -2.507
  496   1HH2  ARG  66          1HH1      ARG  66 -10.271  -5.374   0.778
  497   2HH2  ARG  66          2HH1      ARG  66 -11.200  -4.238  -0.164
  498    H    GLN  67           H        GLN  67  -6.964 -12.708  -1.388
  499    HA   GLN  67           HA       GLN  67  -4.073 -12.315  -1.654
  500   1HB   GLN  67          1HB       GLN  67  -5.067 -14.534  -1.113
  501   2HB   GLN  67          2HB       GLN  67  -5.977 -14.499  -2.623
  502   1HG   GLN  67          1HG       GLN  67  -4.016 -15.950  -2.765
  503   2HG   GLN  67          2HG       GLN  67  -3.933 -14.631  -3.924
  504   1HE2  GLN  67          2HE2      GLN  67  -1.611 -14.918  -4.111
  505   2HE2  GLN  67          1HE2      GLN  67  -0.528 -14.451  -2.809
  506    H    ILE  68           H        ILE  68  -3.077 -11.469  -3.284
  507    HA   ILE  68           HA       ILE  68  -4.497 -10.106  -5.317
  508    HB   ILE  68           HB       ILE  68  -2.222  -9.545  -4.384
  509   1HG1  ILE  68          1HG1      ILE  68  -1.197  -8.846  -6.564
  510   2HG1  ILE  68          2HG1      ILE  68  -2.467  -9.714  -7.410
  511   1HG2  ILE  68          1HG2      ILE  68  -0.235 -10.582  -5.187
  512   2HG2  ILE  68          2HG2      ILE  68  -1.269 -11.883  -4.554
  513   3HG2  ILE  68          3HG2      ILE  68  -1.124 -11.636  -6.303
  514   1HD1  ILE  68          1HD1      ILE  68  -2.831  -7.407  -5.449
  515   2HD1  ILE  68          2HD1      ILE  68  -2.937  -7.297  -7.217
  516   3HD1  ILE  68          3HD1      ILE  68  -4.151  -8.220  -6.313
  517    H    SER  69           H        SER  69  -4.693 -10.545  -7.521
  518    HA   SER  69           HA       SER  69  -3.940 -13.192  -8.563
  519   1HB   SER  69          1HB       SER  69  -6.186 -13.643  -9.363
  520   2HB   SER  69          2HB       SER  69  -6.280 -13.335  -7.614
  521    HG   SER  69           HG       SER  69  -7.886 -12.191  -8.649
  522    H    ARG  70           H        ARG  70  -4.172 -13.089 -11.077
  523    HA   ARG  70           HA       ARG  70  -3.148 -10.610 -12.094
  524   1HB   ARG  70          1HB       ARG  70  -2.767 -12.748 -13.235
  525   2HB   ARG  70          2HB       ARG  70  -4.496 -12.918 -13.569
  526   1HG   ARG  70          1HG       ARG  70  -4.468 -10.949 -15.016
  527   2HG   ARG  70          2HG       ARG  70  -2.778 -10.607 -14.599
  528   1HD   ARG  70          1HD       ARG  70  -2.036 -12.631 -15.710
  529   2HD   ARG  70          2HD       ARG  70  -3.715 -13.164 -15.950
  530    HE   ARG  70           HE       ARG  70  -3.338 -10.587 -17.162
  531   1HH1  ARG  70          1HH2      ARG  70  -2.467 -14.001 -17.715
  532   2HH1  ARG  70          2HH2      ARG  70  -2.513 -13.856 -19.433
  533   1HH2  ARG  70          1HH1      ARG  70  -3.438 -10.409 -19.314
  534   2HH2  ARG  70          2HH1      ARG  70  -3.074 -11.730 -20.408
  535    H    ARG  71           H        ARG  71  -6.486 -11.905 -11.834
  536    HA   ARG  71           HA       ARG  71  -7.798  -9.875 -13.317
  537   1HB   ARG  71          1HB       ARG  71  -8.740 -11.412 -10.857
  538   2HB   ARG  71          2HB       ARG  71  -9.776 -10.419 -11.885
  539   1HG   ARG  71          1HG       ARG  71  -9.284 -11.859 -13.831
  540   2HG   ARG  71          2HG       ARG  71  -8.242 -12.884 -12.837
  541   1HD   ARG  71          1HD       ARG  71 -11.228 -12.445 -12.388
  542   2HD   ARG  71          2HD       ARG  71 -10.504 -13.839 -13.178
  543    HE   ARG  71           HE       ARG  71  -9.546 -14.582 -11.159
  544   1HH1  ARG  71          1HH2      ARG  71 -11.731 -11.826 -10.629
  545   2HH1  ARG  71          2HH2      ARG  71 -11.873 -12.092  -8.933
  546   1HH2  ARG  71          1HH1      ARG  71  -9.753 -14.938  -8.909
  547   2HH2  ARG  71          2HH1      ARG  71 -10.733 -13.906  -7.941
  548    H    LEU  72           H        LEU  72  -6.970  -9.965  -9.773
  549    HA   LEU  72           HA       LEU  72  -7.924  -7.314  -9.302
  550   1HB   LEU  72          1HB       LEU  72  -6.076  -9.205  -7.862
  551   2HB   LEU  72          2HB       LEU  72  -5.937  -7.477  -7.511
  552    HG   LEU  72           HG       LEU  72  -8.315  -7.324  -7.021
  553   1HD1  LEU  72          1HD1      LEU  72  -8.375 -10.365  -7.172
  554   2HD1  LEU  72          2HD1      LEU  72  -9.686  -9.319  -6.596
  555   3HD1  LEU  72          3HD1      LEU  72  -9.206  -9.263  -8.294
  556   1HD2  LEU  72          1HD2      LEU  72  -6.822  -9.427  -5.389
  557   2HD2  LEU  72          2HD2      LEU  72  -6.680  -7.661  -5.209
  558   3HD2  LEU  72          3HD2      LEU  72  -8.209  -8.474  -4.832
  559    H    CYS  73           H        CYS  73  -4.610  -8.487 -10.216
  560    HA   CYS  73           HA       CYS  73  -3.392  -5.997  -9.985
  561   1HB   CYS  73          1HB       CYS  73  -2.795  -8.192 -12.028
  562   2HB   CYS  73          2HB       CYS  73  -1.731  -6.820 -11.685
  563    HG   CYS  73           HG       CYS  73  -2.761  -9.194  -9.623
  564    H    ARG  74           H        ARG  74  -5.168  -7.282 -12.876
  565    HA   ARG  74           HA       ARG  74  -4.531  -4.827 -14.338
  566   1HB   ARG  74          1HB       ARG  74  -5.552  -5.847 -16.214
  567   2HB   ARG  74          2HB       ARG  74  -4.584  -7.068 -15.396
  568   1HG   ARG  74          1HG       ARG  74  -6.830  -7.783 -14.261
  569   2HG   ARG  74          2HG       ARG  74  -7.610  -6.809 -15.505
  570   1HD   ARG  74          1HD       ARG  74  -5.791  -9.223 -15.871
  571   2HD   ARG  74          2HD       ARG  74  -7.519  -9.161 -16.202
  572    HE   ARG  74           HE       ARG  74  -5.315  -8.331 -17.896
  573   1HH1  ARG  74          1HH1      ARG  74  -8.812  -7.882 -17.366
  574   2HH1  ARG  74          2HH1      ARG  74  -9.092  -7.202 -18.925
  575   1HH2  ARG  74          1HH2      ARG  74  -5.651  -7.330 -19.865
  576   2HH2  ARG  74          2HH2      ARG  74  -7.254  -6.928 -20.422
  577    H    ASN  75           H        ASN  75  -7.034  -5.694 -12.105
  578    HA   ASN  75           HA       ASN  75  -9.176  -4.204 -13.239
  579   1HB   ASN  75          1HB       ASN  75  -9.543  -5.900 -11.514
  580   2HB   ASN  75          2HB       ASN  75  -8.610  -4.962 -10.346
  581   1HD2  ASN  75          2HD2      ASN  75  -9.719  -3.398  -9.116
  582   2HD2  ASN  75          1HD2      ASN  75 -11.391  -2.980  -9.406
  583    H    TYR  76           H        TYR  76  -6.363  -3.150 -11.344
  584    HA   TYR  76           HA       TYR  76  -7.629  -0.459 -10.994
  585   1HB   TYR  76          1HB       TYR  76  -5.373  -1.628  -9.351
  586   2HB   TYR  76          2HB       TYR  76  -6.189  -0.093  -9.108
  587    HD1  TYR  76           HD1      TYR  76  -8.116   0.038  -7.693
  588    HD2  TYR  76           HD2      TYR  76  -6.643  -3.777  -8.956
  589    HE1  TYR  76           HE1      TYR  76  -9.730  -1.057  -6.191
  590    HE2  TYR  76           HE2      TYR  76  -8.242  -4.920  -7.453
  591    HH   TYR  76           HH       TYR  76 -10.618  -3.065  -5.451
  592    H    ASP  77           H        ASP  77  -6.246   1.394 -11.527
  593    HA   ASP  77           HA       ASP  77  -4.814   0.682 -13.990
  594   1HB   ASP  77          1HB       ASP  77  -6.497   2.502 -13.936
  595   2HB   ASP  77          2HB       ASP  77  -5.462   3.410 -12.825
  596    H    LEU  78           H        LEU  78  -3.890   1.440 -10.742
  597    HA   LEU  78           HA       LEU  78  -1.051   1.598 -11.534
  598   1HB   LEU  78          1HB       LEU  78  -1.851   3.915 -11.454
  599   2HB   LEU  78          2HB       LEU  78  -2.535   3.679  -9.862
  600    HG   LEU  78           HG       LEU  78  -0.380   4.986 -10.092
  601   1HD1  LEU  78          1HD1      LEU  78  -0.307   2.708  -8.096
  602   2HD1  LEU  78          2HD1      LEU  78   0.576   4.241  -8.007
  603   3HD1  LEU  78          3HD1      LEU  78  -1.185   4.245  -7.923
  604   1HD2  LEU  78          1HD2      LEU  78   0.792   3.415 -11.636
  605   2HD2  LEU  78          2HD2      LEU  78   1.725   3.923 -10.219
  606   3HD2  LEU  78          3HD2      LEU  78   1.018   2.309 -10.257
  607    H    ILE  79           H        ILE  79   0.172   0.460 -10.060
  608    HA   ILE  79           HA       ILE  79  -1.251  -0.618  -7.674
  609    HB   ILE  79           HB       ILE  79   0.723  -2.097  -9.433
  610   1HG1  ILE  79          1HG1      ILE  79  -1.303  -1.795 -10.766
  611   2HG1  ILE  79          2HG1      ILE  79  -1.017  -3.471 -10.354
  612   1HG2  ILE  79          1HG2      ILE  79  -1.040  -3.036  -7.135
  613   2HG2  ILE  79          2HG2      ILE  79  -0.073  -4.109  -8.171
  614   3HG2  ILE  79          3HG2      ILE  79   0.728  -2.915  -7.143
  615   1HD1  ILE  79          1HD1      ILE  79  -2.998  -1.707  -8.857
  616   2HD1  ILE  79          2HD1      ILE  79  -3.416  -2.754 -10.216
  617   3HD1  ILE  79          3HD1      ILE  79  -2.801  -3.474  -8.722
  618    H    LEU  80           H        LEU  80  -0.009  -0.474  -5.807
  619    HA   LEU  80           HA       LEU  80   2.871   0.214  -6.143
  620   1HB   LEU  80          1HB       LEU  80   1.004   1.301  -4.014
  621   2HB   LEU  80          2HB       LEU  80   2.770   1.456  -4.023
  622    HG   LEU  80           HG       LEU  80   0.922   2.675  -6.088
  623   1HD1  LEU  80          1HD1      LEU  80   2.445   3.963  -3.801
  624   2HD1  LEU  80          2HD1      LEU  80   1.515   4.816  -5.050
  625   3HD1  LEU  80          3HD1      LEU  80   0.685   3.748  -3.911
  626   1HD2  LEU  80          1HD2      LEU  80   3.108   2.180  -7.076
  627   2HD2  LEU  80          2HD2      LEU  80   2.924   3.911  -6.833
  628   3HD2  LEU  80          3HD2      LEU  80   3.932   2.965  -5.709
  629    H    THR  81           H        THR  81   4.262  -0.665  -4.542
  630    HA   THR  81           HA       THR  81   3.075  -2.531  -2.639
  631    HB   THR  81           HB       THR  81   3.189  -3.793  -4.762
  632    HG1  THR  81           1HG      THR  81   3.419  -4.791  -2.772
  633   1HG2  THR  81          1HG2      THR  81   5.332  -4.464  -5.722
  634   2HG2  THR  81          2HG2      THR  81   5.145  -2.708  -5.817
  635   3HG2  THR  81          3HG2      THR  81   6.209  -3.422  -4.582
  636    H    MET  82           H        MET  82   4.979  -3.599  -1.273
  637    HA   MET  82           HA       MET  82   6.338  -1.161  -0.329
  638   1HB   MET  82          1HB       MET  82   5.873  -3.892   0.965
  639   2HB   MET  82          2HB       MET  82   6.553  -2.480   1.770
  640   1HG   MET  82          1HG       MET  82   3.751  -2.747   0.626
  641   2HG   MET  82          2HG       MET  82   4.186  -2.705   2.331
  642   1HE   MET  82          1HE       MET  82   2.176   0.632   1.086
  643   2HE   MET  82          2HE       MET  82   2.093  -1.021   0.436
  644   3HE   MET  82          3HE       MET  82   2.016  -0.752   2.191
  645    H    GLU  83           H        GLU  83   7.223  -4.189  -1.882
  646    HA   GLU  83           HA       GLU  83  10.072  -3.697  -1.153
  647   1HB   GLU  83          1HB       GLU  83   8.609  -6.362  -1.059
  648   2HB   GLU  83          2HB       GLU  83  10.328  -6.115  -0.769
  649   1HG   GLU  83          1HG       GLU  83   9.873  -4.823   1.250
  650   2HG   GLU  83          2HG       GLU  83   8.136  -4.863   0.950
  651    H    LYS  84           H        LYS  84  11.597  -4.328  -2.714
  652    HA   LYS  84           HA       LYS  84  10.691  -4.055  -5.393
  653   1HB   LYS  84          1HB       LYS  84  13.362  -4.905  -4.201
  654   2HB   LYS  84          2HB       LYS  84  13.131  -4.581  -5.923
  655   1HG   LYS  84          1HG       LYS  84  12.847  -2.303  -5.642
  656   2HG   LYS  84          2HG       LYS  84  12.174  -2.450  -4.023
  657   1HD   LYS  84          1HD       LYS  84  14.405  -2.998  -3.105
  658   2HD   LYS  84          2HD       LYS  84  15.119  -2.748  -4.719
  659   1HE   LYS  84          1HE       LYS  84  14.385  -0.429  -4.752
  660   2HE   LYS  84          2HE       LYS  84  13.394  -0.662  -3.309
  661   1HZ   LYS  84          1HZ       LYS  84  15.387   0.480  -2.796
  662   2HZ   LYS  84          2HZ       LYS  84  15.370  -0.934  -1.994
  663   3HZ   LYS  84          3HZ       LYS  84  16.348  -0.754  -3.323
  664    H    ARG  85           H        ARG  85  11.593  -6.995  -3.545
  665    HA   ARG  85           HA       ARG  85  11.272  -8.847  -5.692
  666   1HB   ARG  85          1HB       ARG  85  10.839 -10.527  -3.969
  667   2HB   ARG  85          2HB       ARG  85  12.262  -9.553  -3.608
  668   1HG   ARG  85          1HG       ARG  85  11.020  -8.273  -1.918
  669   2HG   ARG  85          2HG       ARG  85   9.522  -9.125  -2.329
  670   1HD   ARG  85          1HD       ARG  85  10.510 -11.260  -1.621
  671   2HD   ARG  85          2HD       ARG  85  12.028 -10.433  -1.204
  672    HE   ARG  85           HE       ARG  85  10.254  -9.001   0.259
  673   1HH1  ARG  85          1HH2      ARG  85  10.725 -12.532   0.089
  674   2HH1  ARG  85          2HH2      ARG  85  10.137 -12.792   1.690
  675   1HH2  ARG  85          1HH1      ARG  85   9.534  -9.299   2.213
  676   2HH2  ARG  85          2HH1      ARG  85   9.438 -10.870   2.996
  677    H    HIS  86           H        HIS  86   8.784  -7.048  -3.867
  678    HA   HIS  86           HA       HIS  86   6.649  -8.839  -4.723
  679   1HB   HIS  86          1HB       HIS  86   6.462  -5.969  -3.754
  680   2HB   HIS  86          2HB       HIS  86   5.138  -7.088  -3.978
  681    HD1  HIS  86           HD1      HIS  86   7.214  -9.385  -2.284
  682    HD2  HIS  86           HD2      HIS  86   5.353  -5.766  -1.238
  683    HE1  HIS  86           HE1      HIS  86   7.055  -9.362   0.251
  684    H    ILE  87           H        ILE  87   8.162  -5.770  -5.917
  685    HA   ILE  87           HA       ILE  87   6.311  -5.299  -8.015
  686    HB   ILE  87           HB       ILE  87   9.315  -4.767  -8.062
  687   1HG1  ILE  87          1HG1      ILE  87   7.088  -2.900  -7.145
  688   2HG1  ILE  87          2HG1      ILE  87   8.195  -3.748  -6.059
  689   1HG2  ILE  87          1HG2      ILE  87   7.059  -3.420  -9.614
  690   2HG2  ILE  87          2HG2      ILE  87   8.789  -3.040  -9.727
  691   3HG2  ILE  87          3HG2      ILE  87   8.204  -4.594 -10.288
  692   1HD1  ILE  87          1HD1      ILE  87   8.996  -1.547  -6.255
  693   2HD1  ILE  87          2HD1      ILE  87  10.115  -2.558  -7.187
  694   3HD1  ILE  87          3HD1      ILE  87   8.903  -1.550  -8.021
  695    H    GLU  88           H        GLU  88   9.334  -7.289  -7.901
  696    HA   GLU  88           HA       GLU  88   9.175  -8.174 -10.578
  697   1HB   GLU  88          1HB       GLU  88  11.161  -8.348  -9.111
  698   2HB   GLU  88          2HB       GLU  88  10.364  -9.609  -8.162
  699   1HG   GLU  88          1HG       GLU  88  10.272 -11.077 -10.144
  700   2HG   GLU  88          2HG       GLU  88  10.952  -9.795 -11.148
  701    H    ARG  89           H        ARG  89   7.855  -9.720  -7.580
  702    HA   ARG  89           HA       ARG  89   6.777 -11.997  -8.921
  703   1HB   ARG  89          1HB       ARG  89   6.014 -10.597  -6.329
  704   2HB   ARG  89          2HB       ARG  89   5.241 -12.082  -6.868
  705   1HG   ARG  89          1HG       ARG  89   8.236 -11.787  -6.378
  706   2HG   ARG  89          2HG       ARG  89   7.088 -12.436  -5.208
  707   1HD   ARG  89          1HD       ARG  89   7.807 -13.613  -7.916
  708   2HD   ARG  89          2HD       ARG  89   8.319 -14.207  -6.347
  709    HE   ARG  89           HE       ARG  89   5.992 -14.730  -5.805
  710   1HH1  ARG  89          1HH2      ARG  89   6.800 -14.517  -9.302
  711   2HH1  ARG  89          2HH2      ARG  89   5.346 -15.326  -9.774
  712   1HH2  ARG  89          1HH1      ARG  89   4.116 -15.817  -6.496
  713   2HH2  ARG  89          2HH1      ARG  89   3.825 -16.102  -8.167
  714    H    LEU  90           H        LEU  90   5.353  -8.755  -8.295
  715    HA   LEU  90           HA       LEU  90   2.769  -9.520  -9.314
  716   1HB   LEU  90          1HB       LEU  90   4.103  -6.836  -8.857
  717   2HB   LEU  90          2HB       LEU  90   2.448  -6.988  -9.454
  718    HG   LEU  90           HG       LEU  90   3.352  -8.242  -6.831
  719   1HD1  LEU  90          1HD1      LEU  90   1.964  -5.564  -7.252
  720   2HD1  LEU  90          2HD1      LEU  90   2.294  -6.354  -5.690
  721   3HD1  LEU  90          3HD1      LEU  90   3.636  -5.808  -6.693
  722   1HD2  LEU  90          1HD2      LEU  90   0.571  -7.606  -7.873
  723   2HD2  LEU  90          2HD2      LEU  90   1.296  -9.226  -7.807
  724   3HD2  LEU  90          3HD2      LEU  90   1.001  -8.352  -6.315
  725    H    CYS  91           H        CYS  91   5.719  -8.177 -10.878
  726    HA   CYS  91           HA       CYS  91   4.471  -7.755 -13.428
  727   1HB   CYS  91          1HB       CYS  91   7.360  -8.463 -12.731
  728   2HB   CYS  91          2HB       CYS  91   6.784  -7.954 -14.325
  729    HG   CYS  91           HG       CYS  91   6.607  -6.333 -11.449
  730    H    GLU  92           H        GLU  92   5.997 -10.674 -11.907
  731    HA   GLU  92           HA       GLU  92   5.655 -12.343 -14.194
  732   1HB   GLU  92          1HB       GLU  92   5.854 -12.996 -11.232
  733   2HB   GLU  92          2HB       GLU  92   5.813 -14.217 -12.503
  734   1HG   GLU  92          1HG       GLU  92   7.845 -13.287 -13.520
  735   2HG   GLU  92          2HG       GLU  92   7.937 -12.044 -12.277
  736    H    MET  93           H        MET  93   3.494 -11.633 -11.392
  737    HA   MET  93           HA       MET  93   1.448 -13.503 -12.107
  738   1HB   MET  93          1HB       MET  93   1.422 -10.921 -10.493
  739   2HB   MET  93          2HB       MET  93  -0.011 -11.910 -10.708
  740   1HG   MET  93          1HG       MET  93   2.586 -12.945  -9.516
  741   2HG   MET  93          2HG       MET  93   1.250 -12.313  -8.566
  742   1HE   MET  93          1HE       MET  93  -0.982 -13.505  -8.095
  743   2HE   MET  93          2HE       MET  93  -1.407 -13.493  -9.824
  744   3HE   MET  93          3HE       MET  93  -1.525 -14.998  -8.891
  745    H    ALA  94           H        ALA  94   2.012 -10.085 -13.061
  746    HA   ALA  94           HA       ALA  94  -0.097 -10.343 -15.146
  747   1HB   ALA  94          1HB       ALA  94  -1.081  -8.208 -14.409
  748   2HB   ALA  94          2HB       ALA  94  -1.199  -9.454 -13.147
  749   3HB   ALA  94          3HB       ALA  94   0.021  -8.171 -13.013
  750    HA   PRO  95           HA       PRO  95   3.778  -8.298 -16.607
  751   1HB   PRO  95          1HB       PRO  95   3.811  -9.298 -19.172
  752   2HB   PRO  95          2HB       PRO  95   4.474 -10.150 -17.749
  753   1HG   PRO  95          1HG       PRO  95   1.748 -10.510 -19.029
  754   2HG   PRO  95          2HG       PRO  95   2.912 -11.777 -18.526
  755   1HD   PRO  95          1HD       PRO  95   0.807 -11.060 -16.964
  756   2HD   PRO  95          2HD       PRO  95   2.390 -11.471 -16.237
  757    H    GLU  96           H        GLU  96   0.435  -8.234 -17.746
  758    HA   GLU  96           HA       GLU  96   0.552  -6.068 -19.548
  759   1HB   GLU  96          1HB       GLU  96  -1.538  -6.637 -17.394
  760   2HB   GLU  96          2HB       GLU  96  -1.768  -5.654 -18.848
  761   1HG   GLU  96          1HG       GLU  96  -1.332  -7.689 -20.246
  762   2HG   GLU  96          2HG       GLU  96  -1.186  -8.644 -18.763
  763    H    MET  97           H        MET  97   1.092  -6.184 -16.094
  764    HA   MET  97           HA       MET  97   0.938  -3.226 -15.834
  765   1HB   MET  97          1HB       MET  97   0.940  -5.377 -13.677
  766   2HB   MET  97          2HB       MET  97   0.702  -3.648 -13.432
  767   1HG   MET  97          1HG       MET  97  -1.153  -5.515 -14.948
  768   2HG   MET  97          2HG       MET  97  -1.417  -4.869 -13.339
  769   1HE   MET  97          1HE       MET  97  -0.910  -1.892 -13.263
  770   2HE   MET  97          2HE       MET  97  -2.412  -1.180 -13.892
  771   3HE   MET  97          3HE       MET  97  -2.481  -2.570 -12.798
  772    H    ARG  98           H        ARG  98   3.301  -5.105 -16.862
  773    HA   ARG  98           HA       ARG  98   5.273  -5.151 -14.904
  774   1HB   ARG  98          1HB       ARG  98   6.837  -5.685 -16.594
  775   2HB   ARG  98          2HB       ARG  98   5.301  -6.375 -17.089
  776   1HG   ARG  98          1HG       ARG  98   5.013  -4.252 -18.574
  777   2HG   ARG  98          2HG       ARG  98   6.694  -3.888 -18.171
  778   1HD   ARG  98          1HD       ARG  98   6.868  -4.988 -20.211
  779   2HD   ARG  98          2HD       ARG  98   7.242  -6.271 -19.041
  780    HE   ARG  98           HE       ARG  98   4.478  -6.359 -19.457
  781   1HH1  ARG  98          1HH2      ARG  98   7.386  -6.879 -21.431
  782   2HH1  ARG  98          2HH2      ARG  98   6.590  -7.865 -22.600
  783   1HH2  ARG  98          1HH1      ARG  98   3.403  -7.596 -21.041
  784   2HH2  ARG  98          2HH1      ARG  98   4.267  -8.308 -22.353
  785    H    GLY  99           H        GLY  99   4.297  -2.336 -16.737
  786   1HA   GLY  99          1HA       GLY  99   6.531  -0.747 -15.535
  787   2HA   GLY  99          2HA       GLY  99   5.676  -0.346 -17.028
  788    H    LYS 100           H        LYS 100   3.708  -1.609 -14.442
  789    HA   LYS 100           HA       LYS 100   2.704   1.122 -13.768
  790   1HB   LYS 100          1HB       LYS 100   1.026  -1.329 -14.405
  791   2HB   LYS 100          2HB       LYS 100   0.427   0.263 -13.922
  792   1HG   LYS 100          1HG       LYS 100   1.465   1.243 -15.998
  793   2HG   LYS 100          2HG       LYS 100   1.972  -0.381 -16.480
  794   1HD   LYS 100          1HD       LYS 100   0.010   0.107 -17.701
  795   2HD   LYS 100          2HD       LYS 100  -0.416  -1.103 -16.477
  796   1HE   LYS 100          1HE       LYS 100  -1.381   0.662 -15.047
  797   2HE   LYS 100          2HE       LYS 100  -0.856   1.911 -16.176
  798   1HZ   LYS 100          1HZ       LYS 100  -2.882  -0.166 -16.773
  799   2HZ   LYS 100          2HZ       LYS 100  -3.191   1.412 -16.433
  800   3HZ   LYS 100          3HZ       LYS 100  -2.395   1.009 -17.806
  801    H    VAL 101           H        VAL 101   3.916  -1.821 -12.563
  802    HA   VAL 101           HA       VAL 101   2.738  -1.355  -9.874
  803    HB   VAL 101           HB       VAL 101   4.752  -3.444 -10.817
  804   1HG1  VAL 101          1HG1      VAL 101   4.895  -2.968  -8.390
  805   2HG1  VAL 101          2HG1      VAL 101   3.146  -3.228  -8.222
  806   3HG1  VAL 101          3HG1      VAL 101   4.218  -4.567  -8.680
  807   1HG2  VAL 101          1HG2      VAL 101   2.495  -3.822 -11.854
  808   2HG2  VAL 101          2HG2      VAL 101   3.000  -5.098 -10.761
  809   3HG2  VAL 101          3HG2      VAL 101   1.795  -3.910 -10.230
  810    H    MET 102           H        MET 102   3.988  -0.174  -8.332
  811    HA   MET 102           HA       MET 102   6.869   0.263  -8.904
  812   1HB   MET 102          1HB       MET 102   4.814   2.505  -8.653
  813   2HB   MET 102          2HB       MET 102   6.553   2.740  -8.434
  814   1HG   MET 102          1HG       MET 102   6.922   1.741 -10.698
  815   2HG   MET 102          2HG       MET 102   5.178   1.757 -10.950
  816   1HE   MET 102          1HE       MET 102   3.776   3.827 -11.589
  817   2HE   MET 102          2HE       MET 102   4.040   4.394  -9.923
  818   3HE   MET 102          3HE       MET 102   4.285   5.503 -11.289
  819    H    LEU 103           H        LEU 103   8.016   1.284  -7.081
  820    HA   LEU 103           HA       LEU 103   7.291  -0.031  -4.649
  821   1HB   LEU 103          1HB       LEU 103   9.649   0.523  -5.594
  822   2HB   LEU 103          2HB       LEU 103   9.371   2.164  -5.038
  823    HG   LEU 103           HG       LEU 103   9.065   1.242  -2.688
  824   1HD1  LEU 103          1HD1      LEU 103   8.479  -1.101  -3.175
  825   2HD1  LEU 103          2HD1      LEU 103  10.028  -1.344  -4.006
  826   3HD1  LEU 103          3HD1      LEU 103   9.980  -1.050  -2.257
  827   1HD2  LEU 103          1HD2      LEU 103  11.165   2.228  -3.416
  828   2HD2  LEU 103          2HD2      LEU 103  11.506   0.836  -2.385
  829   3HD2  LEU 103          3HD2      LEU 103  11.686   0.695  -4.146
  830    H    PHE 104           H        PHE 104   6.165   0.751  -2.895
  831    HA   PHE 104           HA       PHE 104   4.753   3.176  -3.007
  832   1HB   PHE 104          1HB       PHE 104   4.389   1.018  -1.576
  833   2HB   PHE 104          2HB       PHE 104   5.438   1.789  -0.396
  834    HD1  PHE 104           HD1      PHE 104   4.653   3.937   0.721
  835    HD2  PHE 104           HD2      PHE 104   2.156   1.708  -1.975
  836    HE1  PHE 104           HE1      PHE 104   2.683   5.318   1.380
  837    HE2  PHE 104           HE2      PHE 104   0.232   3.144  -1.410
  838    HZ   PHE 104           HZ       PHE 104   0.484   4.968   0.243
  839    H    GLY 105           H        GLY 105   7.858   2.395  -1.356
  840   1HA   GLY 105          1HA       GLY 105   8.118   5.092  -0.275
  841   2HA   GLY 105          2HA       GLY 105   9.248   3.749  -0.097
  842    H    HIS 106           H        HIS 106   8.218   4.577  -3.361
  843    HA   HIS 106           HA       HIS 106  10.731   4.791  -4.458
  844   1HB   HIS 106          1HB       HIS 106   8.882   4.481  -5.843
  845   2HB   HIS 106          2HB       HIS 106   8.056   5.923  -5.239
  846    HD1  HIS 106           HD1      HIS 106  11.049   5.035  -7.594
  847    HD2  HIS 106           HD2      HIS 106   8.425   8.170  -6.517
  848    HE1  HIS 106           HE1      HIS 106  11.436   6.908  -9.257
  849    H    TRP 107           H        TRP 107   8.758   7.520  -3.187
  850    HA   TRP 107           HA       TRP 107  10.436   9.578  -4.090
  851   1HB   TRP 107          1HB       TRP 107   8.715   9.602  -1.582
  852   2HB   TRP 107          2HB       TRP 107   9.180  10.983  -2.571
  853    HD1  TRP 107           HD1      TRP 107   6.515   8.410  -2.185
  854    HE1  TRP 107           HE1      TRP 107   4.827   8.504  -4.066
  855    HE3  TRP 107           HE3      TRP 107   9.037  11.551  -5.357
  856    HZ2  TRP 107           HZ2      TRP 107   4.560   9.813  -6.663
  857    HZ3  TRP 107           HZ3      TRP 107   8.041  12.183  -7.541
  858    HH2  TRP 107           HH2      TRP 107   5.797  11.321  -8.194
  859    H    ASP 108           H        ASP 108  10.714   7.555  -1.190
  860    HA   ASP 108           HA       ASP 108  12.792   9.302  -0.024
  861   1HB   ASP 108          1HB       ASP 108  11.092   8.354   1.469
  862   2HB   ASP 108          2HB       ASP 108  11.549   6.718   0.987
  863    H    ASN 109           H        ASN 109  13.847   8.842  -2.255
  864    HA   ASN 109           HA       ASN 109  15.413   7.838  -3.521
  865   1HB   ASN 109          1HB       ASN 109  16.701   8.797  -1.619
  866   2HB   ASN 109          2HB       ASN 109  16.675   7.214  -0.831
  867   1HD2  ASN 109          2HD2      ASN 109  17.447   8.540  -4.150
  868   2HD2  ASN 109          1HD2      ASN 109  18.920   7.626  -4.322
  869    H    GLU 110           H        GLU 110  13.306   6.229  -3.503
  870    HA   GLU 110           HA       GLU 110  12.458   4.147  -3.502
  871   1HB   GLU 110          1HB       GLU 110  15.061   3.536  -4.939
  872   2HB   GLU 110          2HB       GLU 110  13.517   2.676  -5.089
  873   1HG   GLU 110          1HG       GLU 110  12.521   4.980  -5.725
  874   2HG   GLU 110          2HG       GLU 110  14.185   5.494  -5.990
  875    H    CYS 111           H        CYS 111  13.461   4.556  -0.992
  876    HA   CYS 111           HA       CYS 111  14.737   2.105  -0.061
  877   1HB   CYS 111          1HB       CYS 111  13.239   4.390   1.251
  878   2HB   CYS 111          2HB       CYS 111  13.677   2.930   2.163
  879    HG   CYS 111           HG       CYS 111  16.227   2.970   1.667
  880    H    GLU 112           H        GLU 112  13.795   0.157   0.072
  881    HA   GLU 112           HA       GLU 112  10.936  -0.229  -0.292
  882   1HB   GLU 112          1HB       GLU 112  11.390  -2.545   0.155
  883   2HB   GLU 112          2HB       GLU 112  12.553  -1.942  -1.006
  884   1HG   GLU 112          1HG       GLU 112  13.053  -2.446   1.966
  885   2HG   GLU 112          2HG       GLU 112  13.480  -3.533   0.657
  886    H    ILE 113           H        ILE 113   9.522  -1.161   1.365
  887    HA   ILE 113           HA       ILE 113  10.002   0.291   3.906
  888    HB   ILE 113           HB       ILE 113   7.445  -0.576   2.540
  889   1HG1  ILE 113          1HG1      ILE 113   8.898   2.079   2.877
  890   2HG1  ILE 113          2HG1      ILE 113   8.486   1.255   1.379
  891   1HG2  ILE 113          1HG2      ILE 113   6.227   0.579   4.297
  892   2HG2  ILE 113          2HG2      ILE 113   7.217  -0.672   5.026
  893   3HG2  ILE 113          3HG2      ILE 113   7.736   1.024   5.117
  894   1HD1  ILE 113          1HD1      ILE 113   6.572   2.672   3.255
  895   2HD1  ILE 113          2HD1      ILE 113   7.040   3.137   1.616
  896   3HD1  ILE 113          3HD1      ILE 113   6.063   1.678   1.868
  897    HA   PRO 114           HA       PRO 114  10.733  -3.698   5.820
  898   1HB   PRO 114          1HB       PRO 114   9.673  -2.364   8.302
  899   2HB   PRO 114          2HB       PRO 114  11.184  -3.293   8.079
  900   1HG   PRO 114          1HG       PRO 114  11.220  -0.576   8.209
  901   2HG   PRO 114          2HG       PRO 114  12.261  -1.452   7.040
  902   1HD   PRO 114          1HD       PRO 114   9.616  -0.076   6.531
  903   2HD   PRO 114          2HD       PRO 114  11.123  -0.050   5.569
  904    H    ASP 115           H        ASP 115   9.529  -5.297   7.322
  905    HA   ASP 115           HA       ASP 115   6.592  -5.244   6.761
  906   1HB   ASP 115          1HB       ASP 115   7.629  -6.940   5.425
  907   2HB   ASP 115          2HB       ASP 115   8.539  -7.550   6.808
  908    HA   PRO 116           HA       PRO 116   6.927  -5.400  11.286
  909   1HB   PRO 116          1HB       PRO 116   4.612  -4.217  11.981
  910   2HB   PRO 116          2HB       PRO 116   5.907  -3.290  11.169
  911   1HG   PRO 116          1HG       PRO 116   3.457  -4.568   9.901
  912   2HG   PRO 116          2HG       PRO 116   4.049  -2.887   9.704
  913   1HD   PRO 116          1HD       PRO 116   4.658  -4.928   7.945
  914   2HD   PRO 116          2HD       PRO 116   5.781  -3.574   8.270
  915    H    TYR 117           H        TYR 117   4.884  -7.225   9.254
  916    HA   TYR 117           HA       TYR 117   2.843  -8.262   9.752
  917   1HB   TYR 117          1HB       TYR 117   4.598  -9.593   8.697
  918   2HB   TYR 117          2HB       TYR 117   5.122 -10.185  10.266
  919    HD1  TYR 117           HD1      TYR 117   1.935  -9.844   8.248
  920    HD2  TYR 117           HD2      TYR 117   4.311 -12.331  10.859
  921    HE1  TYR 117           HE1      TYR 117   0.247 -11.648   8.058
  922    HE2  TYR 117           HE2      TYR 117   2.637 -14.139  10.666
  923    HH   TYR 117           HH       TYR 117   0.608 -14.806   9.740
  924    H    ARG 118           H        ARG 118   4.908  -9.575  12.482
  925    HA   ARG 118           HA       ARG 118   2.571  -9.132  14.285
  926   1HB   ARG 118          1HB       ARG 118   3.996 -11.771  13.731
  927   2HB   ARG 118          2HB       ARG 118   3.161 -11.503  15.243
  928   1HG   ARG 118          1HG       ARG 118   1.873 -11.507  12.497
  929   2HG   ARG 118          2HG       ARG 118   1.744 -12.744  13.743
  930   1HD   ARG 118          1HD       ARG 118   0.595  -9.952  13.742
  931   2HD   ARG 118          2HD       ARG 118  -0.290 -11.473  13.778
  932    HE   ARG 118           HE       ARG 118   0.779 -11.828  16.066
  933   1HH1  ARG 118          1HH2      ARG 118  -0.288  -8.652  14.904
  934   2HH1  ARG 118          2HH2      ARG 118   0.099  -7.813  16.375
  935   1HH2  ARG 118          1HH1      ARG 118   1.041 -10.779  18.113
  936   2HH2  ARG 118          2HH1      ARG 118   0.672  -9.105  18.284
  937    H    LYS 119           H        LYS 119   5.266  -7.851  13.836
  938    HA   LYS 119           HA       LYS 119   6.920  -8.648  16.126
  939   1HB   LYS 119          1HB       LYS 119   7.112  -6.373  14.099
  940   2HB   LYS 119          2HB       LYS 119   8.364  -6.778  15.281
  941   1HG   LYS 119          1HG       LYS 119   8.748  -8.950  14.287
  942   2HG   LYS 119          2HG       LYS 119   7.374  -8.765  13.187
  943   1HD   LYS 119          1HD       LYS 119   8.465  -6.852  12.098
  944   2HD   LYS 119          2HD       LYS 119   9.890  -7.056  13.144
  945   1HE   LYS 119          1HE       LYS 119  10.329  -9.259  12.214
  946   2HE   LYS 119          2HE       LYS 119   8.777  -9.267  11.362
  947   1HZ   LYS 119          1HZ       LYS 119   9.553  -7.465   9.980
  948   2HZ   LYS 119          2HZ       LYS 119  11.009  -7.422  10.751
  949   3HZ   LYS 119          3HZ       LYS 119  10.589  -8.730   9.871
  950    H    SER 120           H        SER 120   7.812  -6.491  17.355
  951    HA   SER 120           HA       SER 120   5.764  -5.723  19.140
  952   1HB   SER 120          1HB       SER 120   8.404  -4.294  18.615
  953   2HB   SER 120          2HB       SER 120   7.476  -4.315  20.127
  954    HG   SER 120           HG       SER 120   9.229  -5.795  20.158
  955    H    ARG 121           H        ARG 121   4.859  -3.573  19.562
  956    HA   ARG 121           HA       ARG 121   3.762  -2.406  17.236
  957   1HB   ARG 121          1HB       ARG 121   2.735  -0.750  18.617
  958   2HB   ARG 121          2HB       ARG 121   2.582  -2.328  19.377
  959   1HG   ARG 121          1HG       ARG 121   4.219  -1.804  21.049
  960   2HG   ARG 121          2HG       ARG 121   4.755  -0.352  20.204
  961   1HD   ARG 121          1HD       ARG 121   1.959  -0.720  21.354
  962   2HD   ARG 121          2HD       ARG 121   3.276   0.076  22.206
  963    HE   ARG 121           HE       ARG 121   1.609   1.180  20.126
  964   1HH1  ARG 121          1HH2      ARG 121   4.859   1.452  21.544
  965   2HH1  ARG 121          2HH2      ARG 121   5.090   3.083  21.043
  966   1HH2  ARG 121          1HH1      ARG 121   1.871   3.410  19.559
  967   2HH2  ARG 121          2HH1      ARG 121   3.379   4.191  19.869
  968    H    GLU 122           H        GLU 122   6.777  -1.579  18.868
  969    HA   GLU 122           HA       GLU 122   7.105   1.024  17.805
  970   1HB   GLU 122          1HB       GLU 122   8.504  -0.027  19.570
  971   2HB   GLU 122          2HB       GLU 122   9.210  -1.111  18.364
  972   1HG   GLU 122          1HG       GLU 122  10.161   0.829  17.158
  973   2HG   GLU 122          2HG       GLU 122   9.369   1.937  18.282
  974    H    THR 123           H        THR 123   7.534  -2.207  16.326
  975    HA   THR 123           HA       THR 123   8.850  -1.270  13.941
  976    HB   THR 123           HB       THR 123   7.056  -3.674  13.807
  977    HG1  THR 123           1HG      THR 123   7.717  -4.084  15.791
  978   1HG2  THR 123          1HG2      THR 123   9.993  -3.209  13.128
  979   2HG2  THR 123          2HG2      THR 123   9.047  -4.659  12.745
  980   3HG2  THR 123          3HG2      THR 123   8.631  -3.113  11.988
  981    H    PHE 124           H        PHE 124   5.413  -1.855  14.869
  982    HA   PHE 124           HA       PHE 124   4.321  -1.154  12.313
  983   1HB   PHE 124          1HB       PHE 124   3.168  -1.215  15.122
  984   2HB   PHE 124          2HB       PHE 124   2.236  -0.694  13.731
  985    HD1  PHE 124           HD1      PHE 124   1.336  -2.239  12.140
  986    HD2  PHE 124           HD2      PHE 124   4.018  -3.627  15.230
  987    HE1  PHE 124           HE1      PHE 124   0.683  -4.594  11.680
  988    HE2  PHE 124           HE2      PHE 124   3.369  -5.963  14.727
  989    HZ   PHE 124           HZ       PHE 124   1.674  -6.439  12.989
  990    H    ALA 125           H        ALA 125   5.121   0.828  15.235
  991    HA   ALA 125           HA       ALA 125   4.015   3.249  14.228
  992   1HB   ALA 125          1HB       ALA 125   4.638   2.895  16.594
  993   2HB   ALA 125          2HB       ALA 125   6.359   2.856  16.140
  994   3HB   ALA 125          3HB       ALA 125   5.415   4.342  15.919
  995    H    ALA 126           H        ALA 126   7.359   1.908  13.942
  996    HA   ALA 126           HA       ALA 126   8.436   4.090  12.463
  997   1HB   ALA 126          1HB       ALA 126  10.176   2.468  11.789
  998   2HB   ALA 126          2HB       ALA 126   9.822   2.346  13.525
  999   3HB   ALA 126          3HB       ALA 126   9.183   1.127  12.398
 1000    H    VAL 127           H        VAL 127   6.968   0.989  11.314
 1001    HA   VAL 127           HA       VAL 127   7.200   1.647   8.556
 1002    HB   VAL 127           HB       VAL 127   5.448  -0.313  10.083
 1003   1HG1  VAL 127          1HG1      VAL 127   5.777  -0.018   7.066
 1004   2HG1  VAL 127          2HG1      VAL 127   5.105  -1.446   7.878
 1005   3HG1  VAL 127          3HG1      VAL 127   4.268   0.102   8.000
 1006   1HG2  VAL 127          1HG2      VAL 127   7.901  -0.702   8.299
 1007   2HG2  VAL 127          2HG2      VAL 127   7.946  -0.700  10.071
 1008   3HG2  VAL 127          3HG2      VAL 127   7.059  -1.963   9.221
 1009    H    TYR 128           H        TYR 128   4.487   2.265  10.902
 1010    HA   TYR 128           HA       TYR 128   2.710   3.347   8.988
 1011   1HB   TYR 128          1HB       TYR 128   2.114   2.793  11.342
 1012   2HB   TYR 128          2HB       TYR 128   3.048   4.177  11.903
 1013    HD1  TYR 128           HD1      TYR 128   2.327   6.548  11.042
 1014    HD2  TYR 128           HD2      TYR 128  -0.157   3.030  10.708
 1015    HE1  TYR 128           HE1      TYR 128   0.392   7.975  10.520
 1016    HE2  TYR 128           HE2      TYR 128  -2.119   4.460  10.258
 1017    HH   TYR 128           HH       TYR 128  -2.890   6.633   9.924
 1018    H    THR 129           H        THR 129   5.337   4.959  10.899
 1019    HA   THR 129           HA       THR 129   4.802   7.566   9.905
 1020    HB   THR 129           HB       THR 129   7.463   6.400  10.841
 1021    HG1  THR 129           1HG      THR 129   5.945   6.021  12.415
 1022   1HG2  THR 129          1HG2      THR 129   6.375   9.255  10.894
 1023   2HG2  THR 129          2HG2      THR 129   7.908   8.713  11.619
 1024   3HG2  THR 129          3HG2      THR 129   7.693   8.659   9.864
 1025    H    LEU 130           H        LEU 130   6.959   4.965   8.669
 1026    HA   LEU 130           HA       LEU 130   8.042   6.479   6.511
 1027   1HB   LEU 130          1HB       LEU 130   9.060   4.480   7.447
 1028   2HB   LEU 130          2HB       LEU 130   7.692   3.492   6.944
 1029    HG   LEU 130           HG       LEU 130   8.270   3.653   4.638
 1030   1HD1  LEU 130          1HD1      LEU 130  10.264   4.921   3.821
 1031   2HD1  LEU 130          2HD1      LEU 130   9.010   6.003   4.412
 1032   3HD1  LEU 130          3HD1      LEU 130  10.438   5.666   5.422
 1033   1HD2  LEU 130          1HD2      LEU 130  10.831   3.309   6.256
 1034   2HD2  LEU 130          2HD2      LEU 130   9.561   2.093   6.084
 1035   3HD2  LEU 130          3HD2      LEU 130  10.487   2.611   4.660
 1036    H    LEU 131           H        LEU 131   5.161   4.349   6.730
 1037    HA   LEU 131           HA       LEU 131   4.400   4.623   3.973
 1038   1HB   LEU 131          1HB       LEU 131   2.836   3.947   6.501
 1039   2HB   LEU 131          2HB       LEU 131   2.098   3.963   4.903
 1040    HG   LEU 131           HG       LEU 131   4.498   2.209   5.595
 1041   1HD1  LEU 131          1HD1      LEU 131   2.498   1.596   6.953
 1042   2HD1  LEU 131          2HD1      LEU 131   1.557   1.441   5.444
 1043   3HD1  LEU 131          3HD1      LEU 131   2.927   0.356   5.763
 1044   1HD2  LEU 131          1HD2      LEU 131   2.538   2.137   3.267
 1045   2HD2  LEU 131          2HD2      LEU 131   4.229   2.647   3.177
 1046   3HD2  LEU 131          3HD2      LEU 131   3.844   0.978   3.591
 1047    H    GLU 132           H        GLU 132   3.624   6.539   6.916
 1048    HA   GLU 132           HA       GLU 132   1.680   8.211   5.765
 1049   1HB   GLU 132          1HB       GLU 132   2.269   8.049   8.212
 1050   2HB   GLU 132          2HB       GLU 132   3.730   8.989   7.874
 1051   1HG   GLU 132          1HG       GLU 132   2.110  10.739   6.834
 1052   2HG   GLU 132          2HG       GLU 132   0.830   9.849   7.658
 1053    H    ARG 133           H        ARG 133   5.261   8.836   6.054
 1054    HA   ARG 133           HA       ARG 133   5.081  11.193   4.475
 1055   1HB   ARG 133          1HB       ARG 133   7.471  11.143   4.216
 1056   2HB   ARG 133          2HB       ARG 133   6.999  10.856   5.888
 1057   1HG   ARG 133          1HG       ARG 133   7.587   8.521   5.741
 1058   2HG   ARG 133          2HG       ARG 133   7.806   8.607   3.987
 1059   1HD   ARG 133          1HD       ARG 133   9.975   8.585   5.134
 1060   2HD   ARG 133          2HD       ARG 133   9.724  10.060   4.211
 1061    HE   ARG 133           HE       ARG 133   9.606  11.332   6.124
 1062   1HH1  ARG 133          1HH2      ARG 133  10.013   7.923   7.019
 1063   2HH1  ARG 133          2HH2      ARG 133  10.294   8.243   8.690
 1064   1HH2  ARG 133          1HH1      ARG 133   9.961  11.761   8.353
 1065   2HH2  ARG 133          2HH1      ARG 133  10.273  10.481   9.459
 1066    H    SER 134           H        SER 134   5.569   7.790   3.450
 1067    HA   SER 134           HA       SER 134   6.194   8.453   0.749
 1068   1HB   SER 134          1HB       SER 134   4.899   5.947   1.891
 1069   2HB   SER 134          2HB       SER 134   5.674   6.105   0.301
 1070    HG   SER 134           HG       SER 134   6.834   6.185   2.888
 1071    H    ALA 135           H        ALA 135   3.040   7.668   2.342
 1072    HA   ALA 135           HA       ALA 135   1.478   7.921  -0.032
 1073   1HB   ALA 135          1HB       ALA 135   0.650   6.737   1.944
 1074   2HB   ALA 135          2HB       ALA 135   0.752   8.217   2.915
 1075   3HB   ALA 135          3HB       ALA 135  -0.422   8.105   1.582
 1076    H    ARG 136           H        ARG 136   2.423  10.304   2.527
 1077    HA   ARG 136           HA       ARG 136   0.899  12.475   1.472
 1078   1HB   ARG 136          1HB       ARG 136   1.943  12.430   3.728
 1079   2HB   ARG 136          2HB       ARG 136   3.548  12.518   2.992
 1080   1HG   ARG 136          1HG       ARG 136   2.970  14.726   2.002
 1081   2HG   ARG 136          2HG       ARG 136   1.364  14.642   2.736
 1082   1HD   ARG 136          1HD       ARG 136   3.990  14.616   4.297
 1083   2HD   ARG 136          2HD       ARG 136   3.066  16.066   3.940
 1084    HE   ARG 136           HE       ARG 136   1.273  15.347   5.304
 1085   1HH1  ARG 136          1HH2      ARG 136   4.172  13.275   5.734
 1086   2HH1  ARG 136          2HH2      ARG 136   3.586  12.680   7.280
 1087   1HH2  ARG 136          1HH1      ARG 136   0.716  14.578   7.445
 1088   2HH2  ARG 136          2HH1      ARG 136   1.760  13.380   8.183
 1089    H    GLN 137           H        GLN 137   4.248  11.316   0.709
 1090    HA   GLN 137           HA       GLN 137   4.797  13.389  -1.150
 1091   1HB   GLN 137          1HB       GLN 137   5.886  10.572  -0.864
 1092   2HB   GLN 137          2HB       GLN 137   6.499  11.730  -2.043
 1093   1HG   GLN 137          1HG       GLN 137   6.429  12.487   0.894
 1094   2HG   GLN 137          2HG       GLN 137   7.685  11.431   0.263
 1095   1HE2  GLN 137          2HE2      GLN 137   9.393  12.900   0.602
 1096   2HE2  GLN 137          1HE2      GLN 137   9.547  14.382  -0.309
 1097    H    TRP 138           H        TRP 138   3.380  10.064  -1.719
 1098    HA   TRP 138           HA       TRP 138   3.053  10.376  -4.501
 1099   1HB   TRP 138          1HB       TRP 138   1.516   8.789  -2.427
 1100   2HB   TRP 138          2HB       TRP 138   0.962   8.860  -4.091
 1101    HD1  TRP 138           HD1      TRP 138   3.362   7.016  -1.938
 1102    HE1  TRP 138           HE1      TRP 138   4.868   5.488  -3.290
 1103    HE3  TRP 138           HE3      TRP 138   2.051   8.577  -6.639
 1104    HZ2  TRP 138           HZ2      TRP 138   5.579   5.100  -6.084
 1105    HZ3  TRP 138           HZ3      TRP 138   3.174   7.611  -8.629
 1106    HH2  TRP 138           HH2      TRP 138   4.967   5.908  -8.359
 1107    H    ALA 139           H        ALA 139   0.818  11.371  -1.845
 1108    HA   ALA 139           HA       ALA 139  -1.193  12.399  -3.559
 1109   1HB   ALA 139          1HB       ALA 139  -1.550  11.926  -1.175
 1110   2HB   ALA 139          2HB       ALA 139  -0.414  13.215  -0.719
 1111   3HB   ALA 139          3HB       ALA 139  -1.931  13.625  -1.538
 1112    H    GLN 140           H        GLN 140   1.558  14.108  -1.937
 1113    HA   GLN 140           HA       GLN 140   0.914  16.635  -3.009
 1114   1HB   GLN 140          1HB       GLN 140   2.322  16.396  -1.053
 1115   2HB   GLN 140          2HB       GLN 140   3.521  15.484  -1.968
 1116   1HG   GLN 140          1HG       GLN 140   4.331  17.698  -1.541
 1117   2HG   GLN 140          2HG       GLN 140   4.127  17.480  -3.263
 1118   1HE2  GLN 140          2HE2      GLN 140   4.418  20.034  -2.165
 1119   2HE2  GLN 140          1HE2      GLN 140   2.914  20.908  -2.309
 1120    H    ALA 141           H        ALA 141   2.821  13.949  -4.380
 1121    HA   ALA 141           HA       ALA 141   3.958  15.430  -6.538
 1122   1HB   ALA 141          1HB       ALA 141   3.247  12.465  -6.357
 1123   2HB   ALA 141          2HB       ALA 141   4.272  13.224  -7.589
 1124   3HB   ALA 141          3HB       ALA 141   4.792  13.213  -5.892
 1125    H    LEU 142           H        LEU 142   0.991  13.360  -6.347
 1126    HA   LEU 142           HA       LEU 142   0.019  13.997  -8.943
 1127   1HB   LEU 142          1HB       LEU 142  -1.360  13.171  -6.357
 1128   2HB   LEU 142          2HB       LEU 142  -2.247  13.383  -7.860
 1129    HG   LEU 142           HG       LEU 142   0.145  11.505  -7.658
 1130   1HD1  LEU 142          1HD1      LEU 142  -1.572  10.808  -6.022
 1131   2HD1  LEU 142          2HD1      LEU 142  -2.790  10.780  -7.318
 1132   3HD1  LEU 142          3HD1      LEU 142  -1.415   9.657  -7.357
 1133   1HD2  LEU 142          1HD2      LEU 142  -2.175  11.699  -9.638
 1134   2HD2  LEU 142          2HD2      LEU 142  -0.485  12.142  -9.959
 1135   3HD2  LEU 142          3HD2      LEU 142  -0.905  10.461  -9.655
 1136    H    ASN 143           H        ASN 143  -0.459  15.681  -5.838
 1137    HA   ASN 143           HA       ASN 143  -2.282  17.652  -6.710
 1138   1HB   ASN 143          1HB       ASN 143  -1.754  17.141  -4.347
 1139   2HB   ASN 143          2HB       ASN 143  -0.123  17.767  -4.581
 1140   1HD2  ASN 143          2HD2      ASN 143   0.018  19.617  -3.380
 1141   2HD2  ASN 143          1HD2      ASN 143  -1.144  20.927  -3.456
 1142    H    ALA 144           H        ALA 144   1.105  17.345  -7.566
 1143    HA   ALA 144           HA       ALA 144   1.019  20.039  -8.769
 1144   1HB   ALA 144          1HB       ALA 144   3.370  18.856  -7.211
 1145   2HB   ALA 144          2HB       ALA 144   3.337  20.452  -7.996
 1146   3HB   ALA 144          3HB       ALA 144   2.288  20.130  -6.603
 1147    H    GLU 145           H        GLU 145   0.628  17.342  -9.776
 1148    HA   GLU 145           HA       GLU 145   2.117  17.657 -12.245
 1149   1HB   GLU 145          1HB       GLU 145   3.494  16.174 -10.566
 1150   2HB   GLU 145          2HB       GLU 145   2.247  14.946 -10.838
 1151   1HG   GLU 145          1HG       GLU 145   2.723  15.065 -13.277
 1152   2HG   GLU 145          2HG       GLU 145   3.890  16.349 -12.978
 1153    H    GLN 146           H        GLN 146  -0.565  18.091 -11.427
 1154    HA   GLN 146           HA       GLN 146  -2.158  15.822 -12.182
 1155   1HB   GLN 146          1HB       GLN 146  -2.707  17.811 -10.542
 1156   2HB   GLN 146          2HB       GLN 146  -3.070  18.731 -11.996
 1157   1HG   GLN 146          1HG       GLN 146  -5.080  17.764 -10.978
 1158   2HG   GLN 146          2HG       GLN 146  -4.823  17.131 -12.606
 1159   1HE2  GLN 146          2HE2      GLN 146  -3.077  15.993  -9.602
 1160   2HE2  GLN 146          1HE2      GLN 146  -3.896  14.450  -9.563
 1161    H    VAL 147           H        VAL 147  -3.282  15.515 -14.043
 1162    HA   VAL 147           HA       VAL 147  -2.666  17.056 -16.471
 1163    HB   VAL 147           HB       VAL 147  -2.005  14.791 -17.498
 1164   1HG1  VAL 147          1HG1      VAL 147  -0.396  16.647 -17.082
 1165   2HG1  VAL 147          2HG1      VAL 147  -0.047  15.966 -15.478
 1166   3HG1  VAL 147          3HG1      VAL 147   0.345  15.048 -16.941
 1167   1HG2  VAL 147          1HG2      VAL 147  -1.409  14.045 -14.582
 1168   2HG2  VAL 147          2HG2      VAL 147  -2.656  13.300 -15.607
 1169   3HG2  VAL 147          3HG2      VAL 147  -0.949  13.125 -16.028
  Start of MODEL    8
    1    H    MET   1           H        MET   1  -7.273  12.175 -14.995
    2    HA   MET   1           HA       MET   1  -5.395  11.504 -13.664
    3   1HB   MET   1          1HB       MET   1  -7.133  13.056 -12.776
    4   2HB   MET   1          2HB       MET   1  -7.988  11.703 -12.047
    5   1HG   MET   1          1HG       MET   1  -5.085  12.280 -11.372
    6   2HG   MET   1          2HG       MET   1  -6.386  13.213 -10.642
    7   1HE   MET   1          1HE       MET   1  -3.998  11.190  -9.379
    8   2HE   MET   1          2HE       MET   1  -4.931  12.298  -8.347
    9   3HE   MET   1          3HE       MET   1  -4.866  10.562  -7.957
   10    H    PHE   2           H        PHE   2  -4.497  10.039 -12.086
   11    HA   PHE   2           HA       PHE   2  -5.049   7.245 -12.416
   12   1HB   PHE   2          1HB       PHE   2  -3.323   8.713 -10.375
   13   2HB   PHE   2          2HB       PHE   2  -3.223   7.012 -10.792
   14    HD1  PHE   2           HD1      PHE   2  -2.467   6.331 -13.105
   15    HD2  PHE   2           HD2      PHE   2  -2.079  10.366 -11.641
   16    HE1  PHE   2           HE1      PHE   2  -0.770   6.801 -14.854
   17    HE2  PHE   2           HE2      PHE   2  -0.383  10.831 -13.381
   18    HZ   PHE   2           HZ       PHE   2   0.278   9.057 -14.995
   19    H    ASN   3           H        ASN   3  -7.507   8.082 -11.609
   20    HA   ASN   3           HA       ASN   3  -7.834   8.529  -8.831
   21   1HB   ASN   3          1HB       ASN   3  -9.423   9.259 -10.611
   22   2HB   ASN   3          2HB       ASN   3  -9.923   7.576 -10.830
   23   1HD2  ASN   3          2HD2      ASN   3  -9.692  10.191  -8.335
   24   2HD2  ASN   3          1HD2      ASN   3 -10.998   9.590  -7.337
   25    H    ASN   4           H        ASN   4  -7.400   5.455 -10.426
   26    HA   ASN   4           HA       ASN   4  -8.664   4.030  -8.103
   27   1HB   ASN   4          1HB       ASN   4  -8.418   3.232 -11.038
   28   2HB   ASN   4          2HB       ASN   4  -8.735   2.079  -9.752
   29   1HD2  ASN   4          2HD2      ASN   4 -10.207   4.472 -11.802
   30   2HD2  ASN   4          1HD2      ASN   4 -11.801   4.373 -11.104
   31    H    ILE   5           H        ILE   5  -7.156   3.185  -6.786
   32    HA   ILE   5           HA       ILE   5  -4.449   2.516  -7.906
   33    HB   ILE   5           HB       ILE   5  -5.206   4.075  -5.389
   34   1HG1  ILE   5          1HG1      ILE   5  -3.861   5.056  -7.949
   35   2HG1  ILE   5          2HG1      ILE   5  -5.499   5.442  -7.424
   36   1HG2  ILE   5          1HG2      ILE   5  -3.150   2.695  -5.061
   37   2HG2  ILE   5          2HG2      ILE   5  -2.441   3.477  -6.494
   38   3HG2  ILE   5          3HG2      ILE   5  -2.796   4.404  -5.016
   39   1HD1  ILE   5          1HD1      ILE   5  -4.596   6.567  -5.403
   40   2HD1  ILE   5          2HD1      ILE   5  -2.956   6.372  -6.085
   41   3HD1  ILE   5          3HD1      ILE   5  -4.168   7.326  -6.947
   42    H    LEU   6           H        LEU   6  -3.487   0.703  -6.995
   43    HA   LEU   6           HA       LEU   6  -4.952  -0.681  -4.765
   44   1HB   LEU   6          1HB       LEU   6  -5.081  -1.840  -6.981
   45   2HB   LEU   6          2HB       LEU   6  -3.325  -1.877  -7.045
   46    HG   LEU   6           HG       LEU   6  -3.272  -3.335  -5.044
   47   1HD1  LEU   6          1HD1      LEU   6  -5.299  -2.699  -3.890
   48   2HD1  LEU   6          2HD1      LEU   6  -6.310  -3.249  -5.238
   49   3HD1  LEU   6          3HD1      LEU   6  -5.387  -4.412  -4.260
   50   1HD2  LEU   6          1HD2      LEU   6  -3.285  -4.412  -7.222
   51   2HD2  LEU   6          2HD2      LEU   6  -4.257  -5.361  -6.097
   52   3HD2  LEU   6          3HD2      LEU   6  -5.057  -4.332  -7.301
   53    H    VAL   7           H        VAL   7  -3.626  -1.441  -3.078
   54    HA   VAL   7           HA       VAL   7  -0.693  -1.046  -3.385
   55    HB   VAL   7           HB       VAL   7  -2.208  -0.799  -0.761
   56   1HG1  VAL   7          1HG1      VAL   7   0.622  -0.089  -1.670
   57   2HG1  VAL   7          2HG1      VAL   7  -0.043   0.285  -0.078
   58   3HG1  VAL   7          3HG1      VAL   7   0.157  -1.396  -0.555
   59   1HG2  VAL   7          1HG2      VAL   7  -2.974   1.093  -2.110
   60   2HG2  VAL   7          2HG2      VAL   7  -1.821   1.660  -0.905
   61   3HG2  VAL   7          3HG2      VAL   7  -1.309   1.471  -2.596
   62    H    VAL   8           H        VAL   8   0.548  -2.823  -2.865
   63    HA   VAL   8           HA       VAL   8  -0.929  -5.241  -1.937
   64    HB   VAL   8           HB       VAL   8   1.126  -5.183  -4.165
   65   1HG1  VAL   8          1HG1      VAL   8  -0.978  -7.234  -3.328
   66   2HG1  VAL   8          2HG1      VAL   8   0.069  -7.378  -4.742
   67   3HG1  VAL   8          3HG1      VAL   8   0.789  -7.398  -3.129
   68   1HG2  VAL   8          1HG2      VAL   8  -0.807  -5.459  -5.751
   69   2HG2  VAL   8          2HG2      VAL   8  -1.913  -5.093  -4.413
   70   3HG2  VAL   8          3HG2      VAL   8  -0.760  -3.869  -5.005
   71    H    CYS   9           H        CYS   9   0.173  -6.676  -0.656
   72    HA   CYS   9           HA       CYS   9   3.006  -6.075   0.079
   73   1HB   CYS   9          1HB       CYS   9   1.446  -4.943   1.648
   74   2HB   CYS   9          2HB       CYS   9   0.620  -6.468   1.938
   75    HG   CYS   9           HG       CYS   9   1.908  -6.071   4.059
   76    H    VAL  10           H        VAL  10   3.682  -8.110   1.665
   77    HA   VAL  10           HA       VAL  10   3.072 -10.535   0.146
   78    HB   VAL  10           HB       VAL  10   5.292 -10.279   0.899
   79   1HG1  VAL  10          1HG1      VAL  10   6.030 -10.275   3.216
   80   2HG1  VAL  10          2HG1      VAL  10   5.026  -8.862   2.914
   81   3HG1  VAL  10          3HG1      VAL  10   4.362 -10.259   3.799
   82   1HG2  VAL  10          1HG2      VAL  10   5.690 -12.401   1.979
   83   2HG2  VAL  10          2HG2      VAL  10   4.006 -12.487   2.531
   84   3HG2  VAL  10          3HG2      VAL  10   4.383 -12.557   0.795
   85    H    GLY  11           H        GLY  11   2.282  -9.222   3.440
   86   1HA   GLY  11          1HA       GLY  11   0.486 -11.541   3.861
   87   2HA   GLY  11          2HA       GLY  11   1.073 -10.398   5.067
   88    H    ASN  12           H        ASN  12   0.174  -8.236   2.934
   89    HA   ASN  12           HA       ASN  12  -1.532  -6.820   2.603
   90   1HB   ASN  12          1HB       ASN  12  -2.607  -8.685   1.497
   91   2HB   ASN  12          2HB       ASN  12  -3.318  -9.223   3.003
   92   1HD2  ASN  12          2HD2      ASN  12  -3.793  -5.909   3.309
   93   2HD2  ASN  12          1HD2      ASN  12  -5.417  -5.959   2.691
   94    H    ILE  13           H        ILE  13  -2.393  -8.838   5.476
   95    HA   ILE  13           HA       ILE  13  -4.320  -7.254   6.539
   96    HB   ILE  13           HB       ILE  13  -3.838  -8.314   8.707
   97   1HG1  ILE  13          1HG1      ILE  13  -1.324  -9.443   7.383
   98   2HG1  ILE  13          2HG1      ILE  13  -1.346  -8.183   8.617
   99   1HG2  ILE  13          1HG2      ILE  13  -4.205 -10.610   7.969
  100   2HG2  ILE  13          2HG2      ILE  13  -5.100  -9.492   6.959
  101   3HG2  ILE  13          3HG2      ILE  13  -3.601 -10.239   6.348
  102   1HD1  ILE  13          1HD1      ILE  13  -2.197 -11.078   8.965
  103   2HD1  ILE  13          2HD1      ILE  13  -0.827 -10.240   9.705
  104   3HD1  ILE  13          3HD1      ILE  13  -2.480  -9.807  10.181
  105    H    CYS  14           H        CYS  14  -1.100  -6.062   6.430
  106    HA   CYS  14           HA       CYS  14  -1.689  -4.157   8.659
  107   1HB   CYS  14          1HB       CYS  14   0.812  -4.273   9.105
  108   2HB   CYS  14          2HB       CYS  14  -0.146  -5.692   9.554
  109    HG   CYS  14           HG       CYS  14   2.128  -6.542   8.677
  110    H    ARG  15           H        ARG  15   0.847  -4.446   6.050
  111    HA   ARG  15           HA       ARG  15   1.060  -1.604   6.066
  112   1HB   ARG  15          1HB       ARG  15   2.147  -3.592   4.023
  113   2HB   ARG  15          2HB       ARG  15   2.580  -1.883   4.165
  114   1HG   ARG  15          1HG       ARG  15   3.344  -2.270   6.496
  115   2HG   ARG  15          2HG       ARG  15   3.094  -4.002   6.295
  116   1HD   ARG  15          1HD       ARG  15   4.973  -2.319   4.573
  117   2HD   ARG  15          2HD       ARG  15   5.462  -3.217   6.011
  118    HE   ARG  15           HE       ARG  15   4.089  -4.903   4.107
  119   1HH1  ARG  15          1HH1      ARG  15   7.339  -3.677   5.020
  120   2HH1  ARG  15          2HH1      ARG  15   8.129  -4.831   3.970
  121   1HH2  ARG  15          2HH2      ARG  15   5.314  -6.319   2.662
  122   2HH2  ARG  15          1HH2      ARG  15   7.045  -6.296   2.798
  123    H    SER  16           H        SER  16  -0.486  -3.767   3.583
  124    HA   SER  16           HA       SER  16  -1.068  -1.781   1.777
  125   1HB   SER  16          1HB       SER  16  -2.956  -4.077   2.312
  126   2HB   SER  16          2HB       SER  16  -2.649  -3.224   0.793
  127    HG   SER  16           HG       SER  16  -1.522  -5.147   0.773
  128    HA   PRO  17           HA       PRO  17  -5.272  -0.662   3.681
  129   1HB   PRO  17          1HB       PRO  17  -5.880  -1.191   6.317
  130   2HB   PRO  17          2HB       PRO  17  -6.294  -2.254   4.941
  131   1HG   PRO  17          1HG       PRO  17  -3.913  -2.459   6.806
  132   2HG   PRO  17          2HG       PRO  17  -5.025  -3.765   6.287
  133   1HD   PRO  17          1HD       PRO  17  -2.641  -3.413   5.077
  134   2HD   PRO  17          2HD       PRO  17  -4.095  -3.831   4.121
  135    H    THR  18           H        THR  18  -2.380  -0.594   5.794
  136    HA   THR  18           HA       THR  18  -3.026   1.900   7.081
  137    HB   THR  18           HB       THR  18  -0.327   0.569   6.581
  138    HG1  THR  18           1HG      THR  18  -1.428  -0.804   7.810
  139   1HG2  THR  18          1HG2      THR  18   0.044   2.870   7.233
  140   2HG2  THR  18          2HG2      THR  18  -1.197   2.769   8.500
  141   3HG2  THR  18          3HG2      THR  18   0.327   1.858   8.652
  142    H    ALA  19           H        ALA  19  -1.030   1.055   4.163
  143    HA   ALA  19           HA       ALA  19  -0.439   3.751   3.433
  144   1HB   ALA  19          1HB       ALA  19   0.768   1.840   2.466
  145   2HB   ALA  19          2HB       ALA  19  -0.739   1.220   1.768
  146   3HB   ALA  19          3HB       ALA  19  -0.056   2.744   1.165
  147    H    GLU  20           H        GLU  20  -3.096   1.520   2.429
  148    HA   GLU  20           HA       GLU  20  -4.359   3.133   0.551
  149   1HB   GLU  20          1HB       GLU  20  -4.952   0.797   0.999
  150   2HB   GLU  20          2HB       GLU  20  -5.523   1.223   2.616
  151   1HG   GLU  20          1HG       GLU  20  -7.276   2.710   1.490
  152   2HG   GLU  20          2HG       GLU  20  -6.774   1.963  -0.022
  153    H    ARG  21           H        ARG  21  -5.115   2.957   4.086
  154    HA   ARG  21           HA       ARG  21  -7.045   5.074   3.816
  155   1HB   ARG  21          1HB       ARG  21  -5.766   3.674   6.190
  156   2HB   ARG  21          2HB       ARG  21  -6.974   4.951   6.385
  157   1HG   ARG  21          1HG       ARG  21  -7.545   2.511   4.679
  158   2HG   ARG  21          2HG       ARG  21  -7.811   2.529   6.422
  159   1HD   ARG  21          1HD       ARG  21  -9.339   4.429   6.251
  160   2HD   ARG  21          2HD       ARG  21  -9.026   4.585   4.519
  161    HE   ARG  21           HE       ARG  21 -10.355   2.813   4.015
  162   1HH1  ARG  21          1HH2      ARG  21  -9.975   2.841   7.573
  163   2HH1  ARG  21          2HH2      ARG  21 -11.160   1.553   7.774
  164   1HH2  ARG  21          1HH1      ARG  21 -11.885   1.109   4.413
  165   2HH2  ARG  21          2HH1      ARG  21 -12.164   0.588   6.052
  166    H    LEU  22           H        LEU  22  -3.558   5.107   4.594
  167    HA   LEU  22           HA       LEU  22  -3.531   7.868   5.425
  168   1HB   LEU  22          1HB       LEU  22  -1.495   5.896   4.365
  169   2HB   LEU  22          2HB       LEU  22  -1.068   7.592   4.454
  170    HG   LEU  22           HG       LEU  22  -2.203   6.168   6.891
  171   1HD1  LEU  22          1HD1      LEU  22   0.165   5.853   7.622
  172   2HD1  LEU  22          2HD1      LEU  22  -0.263   4.882   6.204
  173   3HD1  LEU  22          3HD1      LEU  22   0.690   6.343   5.994
  174   1HD2  LEU  22          1HD2      LEU  22  -2.210   8.595   7.058
  175   2HD2  LEU  22          2HD2      LEU  22  -0.848   8.008   8.017
  176   3HD2  LEU  22          3HD2      LEU  22  -0.560   8.702   6.417
  177    H    LEU  23           H        LEU  23  -3.199   6.289   2.198
  178    HA   LEU  23           HA       LEU  23  -2.777   8.713   0.731
  179   1HB   LEU  23          1HB       LEU  23  -3.957   6.006   0.007
  180   2HB   LEU  23          2HB       LEU  23  -3.835   7.298  -1.174
  181    HG   LEU  23           HG       LEU  23  -1.382   6.406   0.370
  182   1HD1  LEU  23          1HD1      LEU  23  -2.461   5.174  -2.201
  183   2HD1  LEU  23          2HD1      LEU  23  -0.860   4.863  -1.501
  184   3HD1  LEU  23          3HD1      LEU  23  -2.289   4.370  -0.615
  185   1HD2  LEU  23          1HD2      LEU  23  -1.238   8.529  -0.910
  186   2HD2  LEU  23          2HD2      LEU  23  -0.211   7.282  -1.619
  187   3HD2  LEU  23          3HD2      LEU  23  -1.761   7.679  -2.379
  188    H    GLN  24           H        GLN  24  -5.797   6.990   1.714
  189    HA   GLN  24           HA       GLN  24  -7.480   8.928   0.404
  190   1HB   GLN  24          1HB       GLN  24  -8.107   6.879   2.569
  191   2HB   GLN  24          2HB       GLN  24  -9.295   7.897   1.736
  192   1HG   GLN  24          1HG       GLN  24  -8.259   6.965  -0.469
  193   2HG   GLN  24          2HG       GLN  24  -7.578   5.694   0.545
  194   1HE2  GLN  24          2HE2      GLN  24 -10.311   6.773  -1.169
  195   2HE2  GLN  24          1HE2      GLN  24 -11.507   5.678  -0.481
  196    H    ARG  25           H        ARG  25  -6.086   8.781   3.716
  197    HA   ARG  25           HA       ARG  25  -7.566  10.915   4.812
  198   1HB   ARG  25          1HB       ARG  25  -5.871   9.397   5.972
  199   2HB   ARG  25          2HB       ARG  25  -4.591  10.383   5.253
  200   1HG   ARG  25          1HG       ARG  25  -5.547  12.392   6.436
  201   2HG   ARG  25          2HG       ARG  25  -6.747  11.313   7.185
  202   1HD   ARG  25          1HD       ARG  25  -4.767   9.932   8.039
  203   2HD   ARG  25          2HD       ARG  25  -3.714  11.263   7.523
  204    HE   ARG  25           HE       ARG  25  -5.607  12.517   9.057
  205   1HH1  ARG  25          1HH2      ARG  25  -3.296   9.858   9.720
  206   2HH1  ARG  25          2HH2      ARG  25  -3.551   9.953  11.436
  207   1HH2  ARG  25          1HH1      ARG  25  -5.778  12.639  11.377
  208   2HH2  ARG  25          2HH1      ARG  25  -4.891  11.498  12.348
  209    H    TYR  26           H        TYR  26  -4.591  10.916   2.799
  210    HA   TYR  26           HA       TYR  26  -4.505  13.767   2.613
  211   1HB   TYR  26          1HB       TYR  26  -3.099  11.538   1.135
  212   2HB   TYR  26          2HB       TYR  26  -2.965  13.212   0.608
  213    HD1  TYR  26           HD1      TYR  26  -1.417  10.820   2.729
  214    HD2  TYR  26           HD2      TYR  26  -2.499  14.994   2.522
  215    HE1  TYR  26           HE1      TYR  26   0.280  11.347   4.465
  216    HE2  TYR  26           HE2      TYR  26  -0.861  15.515   4.292
  217    HH   TYR  26           HH       TYR  26   1.322  13.086   5.761
  218    H    HIS  27           H        HIS  27  -6.126  11.323   0.437
  219    HA   HIS  27           HA       HIS  27  -7.614  13.612  -0.718
  220   1HB   HIS  27          1HB       HIS  27  -6.014  11.629  -2.354
  221   2HB   HIS  27          2HB       HIS  27  -7.301  12.660  -2.992
  222    HD1  HIS  27           HD1      HIS  27  -6.777  15.440  -2.737
  223    HD2  HIS  27           HD2      HIS  27  -3.630  12.655  -2.499
  224    HE1  HIS  27           HE1      HIS  27  -4.639  16.735  -3.201
  225    HA   PRO  28           HA       PRO  28 -10.427  10.143   0.384
  226   1HB   PRO  28          1HB       PRO  28 -12.328  12.482   0.211
  227   2HB   PRO  28          2HB       PRO  28 -12.293  11.145   1.402
  228   1HG   PRO  28          1HG       PRO  28 -11.329  13.595   2.057
  229   2HG   PRO  28          2HG       PRO  28 -10.440  12.116   2.548
  230   1HD   PRO  28          1HD       PRO  28  -9.881  13.959   0.213
  231   2HD   PRO  28          2HD       PRO  28  -8.737  13.225   1.377
  232    H    GLU  29           H        GLU  29 -10.351  12.407  -2.291
  233    HA   GLU  29           HA       GLU  29 -12.615  11.386  -3.748
  234   1HB   GLU  29          1HB       GLU  29 -11.505  13.684  -3.926
  235   2HB   GLU  29          2HB       GLU  29 -10.169  12.900  -4.762
  236   1HG   GLU  29          1HG       GLU  29 -11.620  13.924  -6.378
  237   2HG   GLU  29          2HG       GLU  29 -11.751  12.189  -6.572
  238    H    LEU  30           H        LEU  30  -9.358  10.183  -3.240
  239    HA   LEU  30           HA       LEU  30  -9.250   8.774  -5.836
  240   1HB   LEU  30          1HB       LEU  30  -7.355   8.577  -3.463
  241   2HB   LEU  30          2HB       LEU  30  -7.097   7.949  -5.102
  242    HG   LEU  30           HG       LEU  30  -7.234  10.856  -4.269
  243   1HD1  LEU  30          1HD1      LEU  30  -5.119   9.673  -3.729
  244   2HD1  LEU  30          2HD1      LEU  30  -4.949   9.216  -5.436
  245   3HD1  LEU  30          3HD1      LEU  30  -4.886  10.926  -4.959
  246   1HD2  LEU  30          1HD2      LEU  30  -8.260  10.704  -6.464
  247   2HD2  LEU  30          2HD2      LEU  30  -6.664  11.417  -6.596
  248   3HD2  LEU  30          3HD2      LEU  30  -6.903   9.710  -7.058
  249    H    LYS  31           H        LYS  31  -9.475   6.568  -6.073
  250    HA   LYS  31           HA       LYS  31 -10.879   5.167  -3.839
  251   1HB   LYS  31          1HB       LYS  31 -12.082   5.117  -5.993
  252   2HB   LYS  31          2HB       LYS  31 -10.628   4.574  -6.826
  253   1HG   LYS  31          1HG       LYS  31 -12.185   2.737  -6.509
  254   2HG   LYS  31          2HG       LYS  31 -10.688   2.424  -5.635
  255   1HD   LYS  31          1HD       LYS  31 -11.759   3.054  -3.505
  256   2HD   LYS  31          2HD       LYS  31 -13.250   3.494  -4.345
  257   1HE   LYS  31          1HE       LYS  31 -12.004   0.700  -4.330
  258   2HE   LYS  31          2HE       LYS  31 -13.252   1.237  -3.204
  259   1HZ   LYS  31          1HZ       LYS  31 -14.221   0.042  -5.045
  260   2HZ   LYS  31          2HZ       LYS  31 -14.738   1.584  -5.083
  261   3HZ   LYS  31          3HZ       LYS  31 -13.599   1.073  -6.143
  262    H    VAL  32           H        VAL  32  -9.445   4.002  -2.635
  263    HA   VAL  32           HA       VAL  32  -6.983   2.991  -3.951
  264    HB   VAL  32           HB       VAL  32  -7.023   4.110  -1.138
  265   1HG1  VAL  32          1HG1      VAL  32  -4.574   4.116  -1.449
  266   2HG1  VAL  32          2HG1      VAL  32  -5.213   2.487  -1.694
  267   3HG1  VAL  32          3HG1      VAL  32  -4.755   3.476  -3.090
  268   1HG2  VAL  32          1HG2      VAL  32  -7.463   6.040  -2.588
  269   2HG2  VAL  32          2HG2      VAL  32  -5.799   6.092  -2.025
  270   3HG2  VAL  32          3HG2      VAL  32  -6.151   5.556  -3.682
  271    H    GLU  33           H        GLU  33  -6.501   0.919  -3.435
  272    HA   GLU  33           HA       GLU  33  -8.248  -0.498  -1.466
  273   1HB   GLU  33          1HB       GLU  33  -8.074  -0.663  -4.444
  274   2HB   GLU  33          2HB       GLU  33  -8.004  -2.222  -3.649
  275   1HG   GLU  33          1HG       GLU  33 -10.136  -0.113  -3.086
  276   2HG   GLU  33          2HG       GLU  33 -10.342  -1.443  -4.208
  277    H    SER  34           H        SER  34  -7.503  -2.882  -1.303
  278    HA   SER  34           HA       SER  34  -4.521  -2.933  -1.055
  279   1HB   SER  34          1HB       SER  34  -6.639  -3.477   1.040
  280   2HB   SER  34          2HB       SER  34  -4.944  -3.955   1.217
  281    HG   SER  34           HG       SER  34  -6.128  -1.403   1.083
  282    H    ALA  35           H        ALA  35  -3.569  -4.971  -1.189
  283    HA   ALA  35           HA       ALA  35  -5.156  -7.414  -0.981
  284   1HB   ALA  35          1HB       ALA  35  -5.514  -6.790  -3.353
  285   2HB   ALA  35          2HB       ALA  35  -3.755  -6.699  -3.601
  286   3HB   ALA  35          3HB       ALA  35  -4.539  -8.254  -3.222
  287    H    GLY  36           H        GLY  36  -3.437  -9.350  -1.543
  288   1HA   GLY  36          1HA       GLY  36  -0.671  -8.549  -1.498
  289   2HA   GLY  36          2HA       GLY  36  -1.145  -9.284   0.025
  290    H    LEU  37           H        LEU  37   0.886 -10.352  -1.352
  291    HA   LEU  37           HA       LEU  37   0.243 -12.282  -3.372
  292   1HB   LEU  37          1HB       LEU  37   2.561 -11.977  -1.429
  293   2HB   LEU  37          2HB       LEU  37   2.510 -13.265  -2.615
  294    HG   LEU  37           HG       LEU  37   2.221 -10.369  -3.488
  295   1HD1  LEU  37          1HD1      LEU  37   4.835 -11.898  -3.137
  296   2HD1  LEU  37          2HD1      LEU  37   4.638 -10.302  -3.903
  297   3HD1  LEU  37          3HD1      LEU  37   4.303 -10.496  -2.181
  298   1HD2  LEU  37          1HD2      LEU  37   3.118 -11.275  -5.613
  299   2HD2  LEU  37          2HD2      LEU  37   3.245 -12.887  -4.890
  300   3HD2  LEU  37          3HD2      LEU  37   1.656 -12.142  -5.137
  301    H    GLY  38           H        GLY  38   0.917 -12.710   0.126
  302   1HA   GLY  38          1HA       GLY  38  -0.534 -15.336   0.076
  303   2HA   GLY  38          2HA       GLY  38   0.832 -14.944   1.143
  304    H    ALA  39           H        ALA  39  -1.992 -13.018   0.101
  305    HA   ALA  39           HA       ALA  39  -2.448 -11.870   2.702
  306   1HB   ALA  39          1HB       ALA  39  -4.504 -10.996   1.668
  307   2HB   ALA  39          2HB       ALA  39  -3.155 -10.829   0.534
  308   3HB   ALA  39          3HB       ALA  39  -4.332 -12.147   0.340
  309    H    LEU  40           H        LEU  40  -4.438 -12.121   3.943
  310    HA   LEU  40           HA       LEU  40  -5.211 -14.998   4.181
  311   1HB   LEU  40          1HB       LEU  40  -5.068 -12.812   6.290
  312   2HB   LEU  40          2HB       LEU  40  -5.559 -14.488   6.553
  313    HG   LEU  40           HG       LEU  40  -2.783 -13.553   5.708
  314   1HD1  LEU  40          1HD1      LEU  40  -3.370 -13.000   8.041
  315   2HD1  LEU  40          2HD1      LEU  40  -3.782 -14.700   8.350
  316   3HD1  LEU  40          3HD1      LEU  40  -2.110 -14.236   7.964
  317   1HD2  LEU  40          1HD2      LEU  40  -3.186 -15.783   4.784
  318   2HD2  LEU  40          2HD2      LEU  40  -2.093 -15.906   6.161
  319   3HD2  LEU  40          3HD2      LEU  40  -3.802 -16.359   6.352
  320    H    VAL  41           H        VAL  41  -6.851 -14.796   2.630
  321    HA   VAL  41           HA       VAL  41  -8.736 -12.878   2.328
  322    HB   VAL  41           HB       VAL  41  -8.436 -14.684   0.839
  323   1HG1  VAL  41          1HG1      VAL  41  -9.878 -16.544   2.766
  324   2HG1  VAL  41          2HG1      VAL  41  -9.325 -16.918   1.125
  325   3HG1  VAL  41          3HG1      VAL  41  -8.141 -16.593   2.395
  326   1HG2  VAL  41          1HG2      VAL  41 -10.742 -15.076   0.191
  327   2HG2  VAL  41          2HG2      VAL  41 -11.316 -14.625   1.808
  328   3HG2  VAL  41          3HG2      VAL  41 -10.543 -13.412   0.762
  329    H    GLY  42           H        GLY  42 -10.080 -11.837   3.624
  330   1HA   GLY  42          1HA       GLY  42 -11.957 -11.579   4.933
  331   2HA   GLY  42          2HA       GLY  42 -12.024 -13.318   5.200
  332    H    LYS  43           H        LYS  43  -8.873 -12.330   6.085
  333    HA   LYS  43           HA       LYS  43  -9.485 -12.997   8.783
  334   1HB   LYS  43          1HB       LYS  43  -7.423 -13.537   7.540
  335   2HB   LYS  43          2HB       LYS  43  -6.893 -11.857   7.641
  336   1HG   LYS  43          1HG       LYS  43  -7.599 -13.363  10.168
  337   2HG   LYS  43          2HG       LYS  43  -6.106 -13.783   9.350
  338   1HD   LYS  43          1HD       LYS  43  -5.053 -11.794   9.771
  339   2HD   LYS  43          2HD       LYS  43  -6.526 -10.848   9.857
  340   1HE   LYS  43          1HE       LYS  43  -5.505 -12.778  11.990
  341   2HE   LYS  43          2HE       LYS  43  -5.435 -11.014  12.037
  342   1HZ   LYS  43          1HZ       LYS  43  -7.310 -11.575  13.286
  343   2HZ   LYS  43          2HZ       LYS  43  -7.963 -11.137  11.834
  344   3HZ   LYS  43          3HZ       LYS  43  -7.831 -12.708  12.237
  345    H    GLY  44           H        GLY  44  -9.631  -9.840   7.320
  346   1HA   GLY  44          1HA       GLY  44 -10.280  -7.860   8.405
  347   2HA   GLY  44          2HA       GLY  44  -9.893  -8.569   9.965
  348    H    ALA  45           H        ALA  45  -9.031  -5.978   9.201
  349    HA   ALA  45           HA       ALA  45  -6.227  -5.979   8.512
  350   1HB   ALA  45          1HB       ALA  45  -7.594  -3.954   8.315
  351   2HB   ALA  45          2HB       ALA  45  -7.951  -3.978  10.048
  352   3HB   ALA  45          3HB       ALA  45  -6.289  -3.684   9.488
  353    H    ASP  46           H        ASP  46  -4.424  -5.732   9.963
  354    HA   ASP  46           HA       ASP  46  -4.524  -7.593  12.119
  355   1HB   ASP  46          1HB       ASP  46  -2.551  -7.253  10.708
  356   2HB   ASP  46          2HB       ASP  46  -2.350  -5.618  11.343
  357    HA   PRO  47           HA       PRO  47  -5.919  -4.869  15.420
  358   1HB   PRO  47          1HB       PRO  47  -4.189  -6.689  17.100
  359   2HB   PRO  47          2HB       PRO  47  -5.836  -6.067  17.441
  360   1HG   PRO  47          1HG       PRO  47  -5.507  -8.579  16.489
  361   2HG   PRO  47          2HG       PRO  47  -6.802  -7.534  15.817
  362   1HD   PRO  47          1HD       PRO  47  -4.089  -8.158  14.642
  363   2HD   PRO  47          2HD       PRO  47  -5.686  -8.043  13.838
  364    H    THR  48           H        THR  48  -2.413  -5.529  15.009
  365    HA   THR  48           HA       THR  48  -1.651  -3.469  16.939
  366    HB   THR  48           HB       THR  48   0.306  -4.420  14.906
  367    HG1  THR  48           1HG      THR  48  -0.747  -6.269  15.089
  368   1HG2  THR  48          1HG2      THR  48   0.355  -4.367  17.953
  369   2HG2  THR  48          2HG2      THR  48   1.738  -4.707  16.889
  370   3HG2  THR  48          3HG2      THR  48   0.987  -3.103  16.867
  371    H    ALA  49           H        ALA  49  -1.979  -3.868  13.387
  372    HA   ALA  49           HA       ALA  49  -0.945  -1.277  12.685
  373   1HB   ALA  49          1HB       ALA  49  -2.068  -1.715  10.530
  374   2HB   ALA  49          2HB       ALA  49  -1.167  -3.146  11.069
  375   3HB   ALA  49          3HB       ALA  49  -2.932  -3.096  11.239
  376    H    ILE  50           H        ILE  50  -4.259  -2.554  13.340
  377    HA   ILE  50           HA       ILE  50  -5.682  -0.130  13.004
  378    HB   ILE  50           HB       ILE  50  -6.131  -2.483  14.859
  379   1HG1  ILE  50          1HG1      ILE  50  -7.669  -1.804  12.319
  380   2HG1  ILE  50          2HG1      ILE  50  -6.227  -2.808  12.275
  381   1HG2  ILE  50          1HG2      ILE  50  -7.377  -0.570  15.784
  382   2HG2  ILE  50          2HG2      ILE  50  -8.086  -0.233  14.192
  383   3HG2  ILE  50          3HG2      ILE  50  -8.504  -1.710  15.083
  384   1HD1  ILE  50          1HD1      ILE  50  -8.235  -4.191  12.295
  385   2HD1  ILE  50          2HD1      ILE  50  -7.304  -4.457  13.773
  386   3HD1  ILE  50          3HD1      ILE  50  -8.782  -3.468  13.805
  387    H    SER  51           H        SER  51  -4.109  -1.473  15.990
  388    HA   SER  51           HA       SER  51  -4.892   0.628  17.684
  389   1HB   SER  51          1HB       SER  51  -2.382  -1.097  17.843
  390   2HB   SER  51          2HB       SER  51  -3.075  -0.133  19.156
  391    HG   SER  51           HG       SER  51  -4.214  -2.378  17.832
  392    H    VAL  52           H        VAL  52  -1.799   0.299  15.799
  393    HA   VAL  52           HA       VAL  52  -0.763   2.811  16.688
  394    HB   VAL  52           HB       VAL  52  -0.189   1.042  14.280
  395   1HG1  VAL  52          1HG1      VAL  52   0.460   3.339  13.634
  396   2HG1  VAL  52          2HG1      VAL  52   1.381   3.511  15.144
  397   3HG1  VAL  52          3HG1      VAL  52   1.867   2.322  13.910
  398   1HG2  VAL  52          1HG2      VAL  52   1.915   0.621  15.610
  399   2HG2  VAL  52          2HG2      VAL  52   1.266   1.622  16.910
  400   3HG2  VAL  52          3HG2      VAL  52   0.452   0.108  16.461
  401    H    ALA  53           H        ALA  53  -2.863   1.953  13.842
  402    HA   ALA  53           HA       ALA  53  -2.661   4.585  12.735
  403   1HB   ALA  53          1HB       ALA  53  -4.881   2.540  12.389
  404   2HB   ALA  53          2HB       ALA  53  -4.435   3.852  11.269
  405   3HB   ALA  53          3HB       ALA  53  -3.329   2.501  11.512
  406    H    ALA  54           H        ALA  54  -4.964   3.110  15.075
  407    HA   ALA  54           HA       ALA  54  -6.664   5.400  15.267
  408   1HB   ALA  54          1HB       ALA  54  -6.066   3.207  17.311
  409   2HB   ALA  54          2HB       ALA  54  -7.438   4.333  17.360
  410   3HB   ALA  54          3HB       ALA  54  -7.318   3.143  16.048
  411    H    GLU  55           H        GLU  55  -3.584   4.533  16.948
  412    HA   GLU  55           HA       GLU  55  -3.639   6.788  18.718
  413   1HB   GLU  55          1HB       GLU  55  -1.393   5.046  17.651
  414   2HB   GLU  55          2HB       GLU  55  -1.086   6.399  18.727
  415   1HG   GLU  55          1HG       GLU  55  -2.973   4.110  19.420
  416   2HG   GLU  55          2HG       GLU  55  -1.268   4.152  19.846
  417    H    HIS  56           H        HIS  56  -3.228   6.673  15.291
  418    HA   HIS  56           HA       HIS  56  -2.374   9.533  15.296
  419   1HB   HIS  56          1HB       HIS  56  -2.217   7.462  13.080
  420   2HB   HIS  56          2HB       HIS  56  -1.738   9.154  12.938
  421    HD1  HIS  56           HD1      HIS  56   0.355   9.834  14.854
  422    HD2  HIS  56           HD2      HIS  56  -0.299   5.853  13.674
  423    HE1  HIS  56           HE1      HIS  56   2.482   8.563  15.434
  424    H    GLN  57           H        GLN  57  -5.114   7.921  15.562
  425    HA   GLN  57           HA       GLN  57  -7.256   8.225  15.013
  426   1HB   GLN  57          1HB       GLN  57  -6.393  11.123  14.652
  427   2HB   GLN  57          2HB       GLN  57  -8.051  10.552  14.816
  428   1HG   GLN  57          1HG       GLN  57  -7.509  11.308  16.950
  429   2HG   GLN  57          2HG       GLN  57  -7.430   9.557  17.063
  430   1HE2  GLN  57          2HE2      GLN  57  -5.516   8.674  17.891
  431   2HE2  GLN  57          1HE2      GLN  57  -4.019   9.568  18.088
  432    H    LEU  58           H        LEU  58  -6.059   6.976  12.981
  433    HA   LEU  58           HA       LEU  58  -7.897   7.827  10.789
  434   1HB   LEU  58          1HB       LEU  58  -5.835   8.645  10.050
  435   2HB   LEU  58          2HB       LEU  58  -4.937   7.234  10.590
  436    HG   LEU  58           HG       LEU  58  -5.158   7.612   8.145
  437   1HD1  LEU  58          1HD1      LEU  58  -6.279   4.897   8.816
  438   2HD1  LEU  58          2HD1      LEU  58  -5.062   5.381   7.607
  439   3HD1  LEU  58          3HD1      LEU  58  -4.644   5.376   9.307
  440   1HD2  LEU  58          1HD2      LEU  58  -7.156   7.147   6.940
  441   2HD2  LEU  58          2HD2      LEU  58  -8.011   6.597   8.391
  442   3HD2  LEU  58          3HD2      LEU  58  -7.574   8.311   8.193
  443    H    SER  59           H        SER  59  -9.304   6.189  10.572
  444    HA   SER  59           HA       SER  59  -8.882   3.798  12.076
  445   1HB   SER  59          1HB       SER  59 -11.131   4.481  10.130
  446   2HB   SER  59          2HB       SER  59 -11.194   3.336  11.484
  447    HG   SER  59           HG       SER  59 -12.133   5.367  12.004
  448    H    LEU  60           H        LEU  60  -8.706   1.647  11.357
  449    HA   LEU  60           HA       LEU  60  -8.321   1.199   8.404
  450   1HB   LEU  60          1HB       LEU  60  -7.135  -0.477  10.626
  451   2HB   LEU  60          2HB       LEU  60  -6.930  -0.708   8.896
  452    HG   LEU  60           HG       LEU  60  -5.810   1.526  10.599
  453   1HD1  LEU  60          1HD1      LEU  60  -3.649   0.550   9.991
  454   2HD1  LEU  60          2HD1      LEU  60  -4.687  -0.704  10.690
  455   3HD1  LEU  60          3HD1      LEU  60  -4.440  -0.635   8.935
  456   1HD2  LEU  60          1HD2      LEU  60  -5.582   1.187   7.583
  457   2HD2  LEU  60          2HD2      LEU  60  -6.385   2.518   8.436
  458   3HD2  LEU  60          3HD2      LEU  60  -4.643   2.335   8.573
  459    H    GLU  61           H        GLU  61 -10.716   1.194  10.403
  460    HA   GLU  61           HA       GLU  61 -11.615  -1.495  10.711
  461   1HB   GLU  61          1HB       GLU  61 -13.086   1.177  10.552
  462   2HB   GLU  61          2HB       GLU  61 -13.883  -0.342  10.953
  463   1HG   GLU  61          1HG       GLU  61 -11.577   0.837  12.569
  464   2HG   GLU  61          2HG       GLU  61 -13.277   1.108  12.919
  465    H    GLY  62           H        GLY  62 -13.173  -2.660   9.516
  466   1HA   GLY  62          1HA       GLY  62 -14.619  -3.113   7.800
  467   2HA   GLY  62          2HA       GLY  62 -14.235  -1.558   7.047
  468    H    HIS  63           H        HIS  63 -11.199  -2.435   7.187
  469    HA   HIS  63           HA       HIS  63 -11.207  -3.718   4.568
  470   1HB   HIS  63          1HB       HIS  63  -9.430  -2.111   5.120
  471   2HB   HIS  63          2HB       HIS  63  -8.898  -3.134   6.465
  472    HD1  HIS  63           HD1      HIS  63  -9.313  -3.476   2.597
  473    HD2  HIS  63           HD2      HIS  63  -7.213  -5.086   5.872
  474    HE1  HIS  63           HE1      HIS  63  -7.797  -5.295   1.665
  475    H    CYS  64           H        CYS  64 -10.813  -5.827   4.105
  476    HA   CYS  64           HA       CYS  64  -9.942  -7.667   6.244
  477   1HB   CYS  64          1HB       CYS  64 -12.310  -8.122   4.363
  478   2HB   CYS  64          2HB       CYS  64 -11.526  -9.402   5.296
  479    HG   CYS  64           HG       CYS  64 -13.812  -8.762   6.405
  480    H    ALA  65           H        ALA  65  -8.184  -8.746   5.465
  481    HA   ALA  65           HA       ALA  65  -7.088  -8.060   2.995
  482   1HB   ALA  65          1HB       ALA  65  -5.688  -8.744   4.803
  483   2HB   ALA  65          2HB       ALA  65  -6.480 -10.333   4.926
  484   3HB   ALA  65          3HB       ALA  65  -5.467  -9.952   3.525
  485    H    ARG  66           H        ARG  66  -6.439  -9.377   1.168
  486    HA   ARG  66           HA       ARG  66  -7.947 -11.757   0.446
  487   1HB   ARG  66          1HB       ARG  66  -9.172 -10.785  -1.427
  488   2HB   ARG  66          2HB       ARG  66  -9.742 -10.140   0.093
  489   1HG   ARG  66          1HG       ARG  66  -7.968  -8.661  -1.912
  490   2HG   ARG  66          2HG       ARG  66  -9.705  -8.482  -1.692
  491   1HD   ARG  66          1HD       ARG  66  -8.912  -7.977   0.843
  492   2HD   ARG  66          2HD       ARG  66  -7.460  -7.457   0.001
  493    HE   ARG  66           HE       ARG  66  -8.635  -5.715  -1.015
  494   1HH1  ARG  66          1HH2      ARG  66 -10.691  -7.449   1.306
  495   2HH1  ARG  66          2HH2      ARG  66 -12.115  -6.528   0.967
  496   1HH2  ARG  66          1HH1      ARG  66 -10.406  -4.208  -1.079
  497   2HH2  ARG  66          2HH1      ARG  66 -11.921  -4.601  -0.343
  498    H    GLN  67           H        GLN  67  -7.089 -12.678  -1.528
  499    HA   GLN  67           HA       GLN  67  -4.311 -11.930  -1.864
  500   1HB   GLN  67          1HB       GLN  67  -5.998 -14.149  -3.069
  501   2HB   GLN  67          2HB       GLN  67  -4.338 -13.817  -3.576
  502   1HG   GLN  67          1HG       GLN  67  -3.617 -14.013  -1.152
  503   2HG   GLN  67          2HG       GLN  67  -5.236 -14.626  -0.787
  504   1HE2  GLN  67          2HE2      GLN  67  -2.139 -15.277  -2.450
  505   2HE2  GLN  67          1HE2      GLN  67  -2.461 -16.963  -2.780
  506    H    ILE  68           H        ILE  68  -3.199 -11.296  -3.540
  507    HA   ILE  68           HA       ILE  68  -4.442  -9.523  -5.429
  508    HB   ILE  68           HB       ILE  68  -2.120  -9.328  -4.513
  509   1HG1  ILE  68          1HG1      ILE  68  -0.932  -8.728  -6.597
  510   2HG1  ILE  68          2HG1      ILE  68  -2.163  -9.543  -7.560
  511   1HG2  ILE  68          1HG2      ILE  68  -1.515 -11.769  -4.617
  512   2HG2  ILE  68          2HG2      ILE  68  -1.310 -11.587  -6.364
  513   3HG2  ILE  68          3HG2      ILE  68  -0.286 -10.662  -5.254
  514   1HD1  ILE  68          1HD1      ILE  68  -2.699  -7.198  -5.687
  515   2HD1  ILE  68          2HD1      ILE  68  -2.431  -7.051  -7.431
  516   3HD1  ILE  68          3HD1      ILE  68  -3.852  -7.920  -6.834
  517    H    SER  69           H        SER  69  -4.780  -9.899  -7.651
  518    HA   SER  69           HA       SER  69  -4.302 -12.586  -8.754
  519   1HB   SER  69          1HB       SER  69  -6.603 -12.826  -9.521
  520   2HB   SER  69          2HB       SER  69  -6.599 -12.625  -7.758
  521    HG   SER  69           HG       SER  69  -8.162 -11.309  -8.636
  522    H    ARG  70           H        ARG  70  -4.587 -12.531 -11.179
  523    HA   ARG  70           HA       ARG  70  -3.460 -10.231 -12.414
  524   1HB   ARG  70          1HB       ARG  70  -3.514 -12.582 -13.346
  525   2HB   ARG  70          2HB       ARG  70  -5.236 -12.388 -13.651
  526   1HG   ARG  70          1HG       ARG  70  -4.078 -12.079 -15.698
  527   2HG   ARG  70          2HG       ARG  70  -4.704 -10.495 -15.233
  528   1HD   ARG  70          1HD       ARG  70  -2.575  -9.652 -14.727
  529   2HD   ARG  70          2HD       ARG  70  -1.891 -11.255 -14.453
  530    HE   ARG  70           HE       ARG  70  -2.499 -10.026 -17.119
  531   1HH1  ARG  70          1HH2      ARG  70  -0.663 -12.520 -15.308
  532   2HH1  ARG  70          2HH2      ARG  70  -0.138 -13.305 -16.757
  533   1HH2  ARG  70          1HH1      ARG  70  -1.642 -10.869 -18.882
  534   2HH2  ARG  70          2HH1      ARG  70  -0.603 -12.282 -18.876
  535    H    ARG  71           H        ARG  71  -6.900 -11.237 -11.963
  536    HA   ARG  71           HA       ARG  71  -8.112  -9.118 -13.364
  537   1HB   ARG  71          1HB       ARG  71  -9.280 -11.117 -12.405
  538   2HB   ARG  71          2HB       ARG  71  -9.049 -10.446 -10.783
  539   1HG   ARG  71          1HG       ARG  71 -10.409  -8.429 -11.480
  540   2HG   ARG  71          2HG       ARG  71 -10.653  -9.192 -13.057
  541   1HD   ARG  71          1HD       ARG  71 -12.608  -9.579 -11.720
  542   2HD   ARG  71          2HD       ARG  71 -11.781 -11.119 -11.906
  543    HE   ARG  71           HE       ARG  71 -11.948  -9.399  -9.477
  544   1HH1  ARG  71          1HH2      ARG  71 -11.034 -12.555 -10.834
  545   2HH1  ARG  71          2HH2      ARG  71 -10.786 -13.297  -9.299
  546   1HH2  ARG  71          1HH1      ARG  71 -11.615 -10.388  -7.440
  547   2HH2  ARG  71          2HH1      ARG  71 -11.130 -12.036  -7.331
  548    H    LEU  72           H        LEU  72  -7.087  -9.200  -9.873
  549    HA   LEU  72           HA       LEU  72  -7.881  -6.504  -9.397
  550   1HB   LEU  72          1HB       LEU  72  -6.111  -8.484  -7.993
  551   2HB   LEU  72          2HB       LEU  72  -5.806  -6.773  -7.684
  552    HG   LEU  72           HG       LEU  72  -8.229  -6.453  -7.196
  553   1HD1  LEU  72          1HD1      LEU  72  -8.328  -9.487  -7.010
  554   2HD1  LEU  72          2HD1      LEU  72  -9.615  -8.357  -6.550
  555   3HD1  LEU  72          3HD1      LEU  72  -9.151  -8.512  -8.249
  556   1HD2  LEU  72          1HD2      LEU  72  -6.544  -6.605  -5.428
  557   2HD2  LEU  72          2HD2      LEU  72  -8.060  -7.341  -4.895
  558   3HD2  LEU  72          3HD2      LEU  72  -6.705  -8.379  -5.392
  559    H    CYS  73           H        CYS  73  -4.699  -7.832 -10.506
  560    HA   CYS  73           HA       CYS  73  -3.424  -5.337 -10.597
  561   1HB   CYS  73          1HB       CYS  73  -3.011  -7.797 -12.371
  562   2HB   CYS  73          2HB       CYS  73  -1.904  -6.418 -12.290
  563    HG   CYS  73           HG       CYS  73  -0.885  -8.400 -10.933
  564    H    ARG  74           H        ARG  74  -5.948  -6.500 -12.755
  565    HA   ARG  74           HA       ARG  74  -5.286  -4.349 -14.721
  566   1HB   ARG  74          1HB       ARG  74  -7.287  -6.638 -14.795
  567   2HB   ARG  74          2HB       ARG  74  -7.018  -5.507 -16.113
  568   1HG   ARG  74          1HG       ARG  74  -4.696  -7.183 -15.068
  569   2HG   ARG  74          2HG       ARG  74  -5.909  -7.888 -16.115
  570   1HD   ARG  74          1HD       ARG  74  -3.998  -7.202 -17.384
  571   2HD   ARG  74          2HD       ARG  74  -5.428  -6.287 -17.878
  572    HE   ARG  74           HE       ARG  74  -3.829  -4.890 -15.898
  573   1HH1  ARG  74          1HH2      ARG  74  -3.669  -5.767 -19.341
  574   2HH1  ARG  74          2HH2      ARG  74  -3.258  -4.173 -19.874
  575   1HH2  ARG  74          1HH1      ARG  74  -2.991  -2.830 -16.608
  576   2HH2  ARG  74          2HH1      ARG  74  -2.758  -2.524 -18.286
  577    H    ASN  75           H        ASN  75  -7.345  -4.916 -12.004
  578    HA   ASN  75           HA       ASN  75  -9.594  -3.415 -12.920
  579   1HB   ASN  75          1HB       ASN  75  -9.692  -5.160 -11.157
  580   2HB   ASN  75          2HB       ASN  75  -8.756  -4.122 -10.080
  581   1HD2  ASN  75          2HD2      ASN  75  -9.876  -2.420  -8.958
  582   2HD2  ASN  75          1HD2      ASN  75 -11.589  -2.153  -9.154
  583    H    TYR  76           H        TYR  76  -6.552  -2.422 -11.423
  584    HA   TYR  76           HA       TYR  76  -7.643   0.340 -11.031
  585   1HB   TYR  76          1HB       TYR  76  -5.405  -0.872  -9.399
  586   2HB   TYR  76          2HB       TYR  76  -6.274   0.620  -9.107
  587    HD1  TYR  76           HD1      TYR  76  -8.508   0.580  -7.963
  588    HD2  TYR  76           HD2      TYR  76  -6.352  -3.033  -8.860
  589    HE1  TYR  76           HE1      TYR  76 -10.014  -0.689  -6.465
  590    HE2  TYR  76           HE2      TYR  76  -7.819  -4.308  -7.352
  591    HH   TYR  76           HH       TYR  76  -9.671  -4.238  -5.929
  592    H    ASP  77           H        ASP  77  -5.850   2.044 -11.225
  593    HA   ASP  77           HA       ASP  77  -4.539   1.375 -13.767
  594   1HB   ASP  77          1HB       ASP  77  -5.956   3.446 -13.372
  595   2HB   ASP  77          2HB       ASP  77  -4.614   4.086 -12.413
  596    H    LEU  78           H        LEU  78  -3.584   2.021 -10.450
  597    HA   LEU  78           HA       LEU  78  -0.696   1.790 -11.190
  598   1HB   LEU  78          1HB       LEU  78  -1.928   3.491  -8.971
  599   2HB   LEU  78          2HB       LEU  78  -0.210   3.223  -9.226
  600    HG   LEU  78           HG       LEU  78  -2.092   4.779 -11.032
  601   1HD1  LEU  78          1HD1      LEU  78  -1.465   5.947  -8.986
  602   2HD1  LEU  78          2HD1      LEU  78   0.252   5.627  -9.281
  603   3HD1  LEU  78          3HD1      LEU  78  -0.657   6.689 -10.374
  604   1HD2  LEU  78          1HD2      LEU  78   0.808   3.989 -11.476
  605   2HD2  LEU  78          2HD2      LEU  78  -0.590   3.777 -12.539
  606   3HD2  LEU  78          3HD2      LEU  78   0.055   5.393 -12.269
  607    H    ILE  79           H        ILE  79   0.451   0.371  -9.873
  608    HA   ILE  79           HA       ILE  79  -1.085  -0.974  -7.688
  609    HB   ILE  79           HB       ILE  79   0.873  -2.365  -9.540
  610   1HG1  ILE  79          1HG1      ILE  79  -0.980  -1.724 -10.982
  611   2HG1  ILE  79          2HG1      ILE  79  -0.869  -3.452 -10.747
  612   1HG2  ILE  79          1HG2      ILE  79   0.591  -3.390  -7.351
  613   2HG2  ILE  79          2HG2      ILE  79  -1.168  -3.379  -7.521
  614   3HG2  ILE  79          3HG2      ILE  79  -0.181  -4.410  -8.578
  615   1HD1  ILE  79          1HD1      ILE  79  -3.205  -2.658 -10.775
  616   2HD1  ILE  79          2HD1      ILE  79  -2.803  -3.438  -9.243
  617   3HD1  ILE  79          3HD1      ILE  79  -2.901  -1.666  -9.345
  618    H    LEU  80           H        LEU  80  -0.132   0.055  -5.977
  619    HA   LEU  80           HA       LEU  80   2.786   0.557  -5.966
  620   1HB   LEU  80          1HB       LEU  80   0.570   1.082  -3.935
  621   2HB   LEU  80          2HB       LEU  80   2.266   1.374  -3.614
  622    HG   LEU  80           HG       LEU  80   1.195   3.442  -4.124
  623   1HD1  LEU  80          1HD1      LEU  80   3.547   3.105  -4.956
  624   2HD1  LEU  80          2HD1      LEU  80   2.878   2.702  -6.545
  625   3HD1  LEU  80          3HD1      LEU  80   2.621   4.315  -5.866
  626   1HD2  LEU  80          1HD2      LEU  80   0.501   2.492  -6.921
  627   2HD2  LEU  80          2HD2      LEU  80  -0.633   2.478  -5.556
  628   3HD2  LEU  80          3HD2      LEU  80   0.061   4.013  -6.123
  629    H    THR  81           H        THR  81   4.201  -0.511  -4.508
  630    HA   THR  81           HA       THR  81   3.020  -2.445  -2.687
  631    HB   THR  81           HB       THR  81   3.277  -3.731  -4.768
  632    HG1  THR  81           1HG      THR  81   3.421  -4.689  -2.731
  633   1HG2  THR  81          1HG2      THR  81   6.270  -3.317  -4.409
  634   2HG2  THR  81          2HG2      THR  81   5.472  -4.401  -5.573
  635   3HG2  THR  81          3HG2      THR  81   5.275  -2.646  -5.725
  636    H    MET  82           H        MET  82   5.004  -3.531  -1.383
  637    HA   MET  82           HA       MET  82   6.052  -1.084  -0.117
  638   1HB   MET  82          1HB       MET  82   5.881  -3.964   0.856
  639   2HB   MET  82          2HB       MET  82   6.235  -2.555   1.841
  640   1HG   MET  82          1HG       MET  82   3.576  -3.107   0.441
  641   2HG   MET  82          2HG       MET  82   3.946  -3.407   2.118
  642   1HE   MET  82          1HE       MET  82   4.087  -0.131  -0.401
  643   2HE   MET  82          2HE       MET  82   2.581  -1.077  -0.430
  644   3HE   MET  82          3HE       MET  82   2.609   0.548   0.299
  645    H    GLU  83           H        GLU  83   7.283  -3.950  -1.806
  646    HA   GLU  83           HA       GLU  83  10.062  -3.176  -1.092
  647   1HB   GLU  83          1HB       GLU  83   8.814  -5.929  -0.676
  648   2HB   GLU  83          2HB       GLU  83  10.539  -5.565  -0.591
  649   1HG   GLU  83          1HG       GLU  83  10.078  -3.963   1.292
  650   2HG   GLU  83          2HG       GLU  83   8.380  -4.447   1.248
  651    H    LYS  84           H        LYS  84  11.671  -4.084  -2.574
  652    HA   LYS  84           HA       LYS  84  10.652  -4.083  -5.289
  653   1HB   LYS  84          1HB       LYS  84  13.446  -4.654  -4.208
  654   2HB   LYS  84          2HB       LYS  84  13.032  -4.456  -5.916
  655   1HG   LYS  84          1HG       LYS  84  12.233  -2.141  -5.468
  656   2HG   LYS  84          2HG       LYS  84  12.663  -2.318  -3.772
  657   1HD   LYS  84          1HD       LYS  84  15.085  -2.798  -4.597
  658   2HD   LYS  84          2HD       LYS  84  14.510  -2.255  -6.174
  659   1HE   LYS  84          1HE       LYS  84  15.252  -0.225  -5.415
  660   2HE   LYS  84          2HE       LYS  84  13.618  -0.163  -4.762
  661   1HZ   LYS  84          1HZ       LYS  84  14.839  -1.275  -2.704
  662   2HZ   LYS  84          2HZ       LYS  84  16.155  -0.591  -3.370
  663   3HZ   LYS  84          3HZ       LYS  84  14.903   0.370  -2.928
  664    H    ARG  85           H        ARG  85  11.621  -6.670  -3.009
  665    HA   ARG  85           HA       ARG  85  11.477  -8.805  -4.882
  666   1HB   ARG  85          1HB       ARG  85  10.943 -10.242  -2.932
  667   2HB   ARG  85          2HB       ARG  85  12.385  -9.256  -2.723
  668   1HG   ARG  85          1HG       ARG  85  11.251  -7.747  -1.211
  669   2HG   ARG  85          2HG       ARG  85   9.680  -8.491  -1.548
  670   1HD   ARG  85          1HD       ARG  85  10.459 -10.612  -0.557
  671   2HD   ARG  85          2HD       ARG  85  12.025  -9.867  -0.184
  672    HE   ARG  85           HE       ARG  85  10.629  -8.148   1.138
  673   1HH1  ARG  85          1HH2      ARG  85   9.986 -11.644   1.092
  674   2HH1  ARG  85          2HH2      ARG  85   9.103 -11.628   2.570
  675   1HH2  ARG  85          1HH1      ARG  85   9.326  -8.077   2.951
  676   2HH2  ARG  85          2HH1      ARG  85   8.785  -9.549   3.708
  677    H    HIS  86           H        HIS  86   8.851  -6.904  -3.374
  678    HA   HIS  86           HA       HIS  86   6.799  -8.823  -4.188
  679   1HB   HIS  86          1HB       HIS  86   6.505  -5.896  -3.443
  680   2HB   HIS  86          2HB       HIS  86   5.215  -7.071  -3.635
  681    HD1  HIS  86           HD1      HIS  86   7.452  -9.062  -1.658
  682    HD2  HIS  86           HD2      HIS  86   5.098  -5.643  -1.015
  683    HE1  HIS  86           HE1      HIS  86   7.144  -8.859   0.860
  684    H    ILE  87           H        ILE  87   8.290  -5.790  -5.512
  685    HA   ILE  87           HA       ILE  87   6.591  -5.518  -7.749
  686    HB   ILE  87           HB       ILE  87   9.573  -4.898  -7.569
  687   1HG1  ILE  87          1HG1      ILE  87   7.151  -3.108  -7.120
  688   2HG1  ILE  87          2HG1      ILE  87   8.200  -3.741  -5.853
  689   1HG2  ILE  87          1HG2      ILE  87   7.525  -3.841  -9.563
  690   2HG2  ILE  87          2HG2      ILE  87   9.232  -3.363  -9.454
  691   3HG2  ILE  87          3HG2      ILE  87   8.818  -4.996  -9.928
  692   1HD1  ILE  87          1HD1      ILE  87   8.833  -1.525  -6.192
  693   2HD1  ILE  87          2HD1      ILE  87  10.123  -2.494  -6.932
  694   3HD1  ILE  87          3HD1      ILE  87   8.906  -1.680  -7.952
  695    H    GLU  88           H        GLU  88   9.562  -7.538  -7.314
  696    HA   GLU  88           HA       GLU  88   9.611  -8.555  -9.931
  697   1HB   GLU  88          1HB       GLU  88  11.411  -8.774  -8.236
  698   2HB   GLU  88          2HB       GLU  88  10.447  -9.972  -7.364
  699   1HG   GLU  88          1HG       GLU  88  10.498 -11.474  -9.323
  700   2HG   GLU  88          2HG       GLU  88  11.368 -10.254 -10.257
  701    H    ARG  89           H        ARG  89   7.790  -9.825  -7.060
  702    HA   ARG  89           HA       ARG  89   6.803 -12.110  -8.520
  703   1HB   ARG  89          1HB       ARG  89   5.789 -10.830  -5.971
  704   2HB   ARG  89          2HB       ARG  89   5.184 -12.341  -6.655
  705   1HG   ARG  89          1HG       ARG  89   7.996 -11.790  -5.688
  706   2HG   ARG  89          2HG       ARG  89   6.795 -12.804  -4.897
  707   1HD   ARG  89          1HD       ARG  89   8.440 -13.320  -7.382
  708   2HD   ARG  89          2HD       ARG  89   8.369 -14.277  -5.910
  709    HE   ARG  89           HE       ARG  89   6.852 -14.654  -8.269
  710   1HH1  ARG  89          1HH2      ARG  89   6.273 -14.842  -4.752
  711   2HH1  ARG  89          2HH2      ARG  89   4.999 -15.991  -4.929
  712   1HH2  ARG  89          1HH1      ARG  89   5.340 -16.079  -8.489
  713   2HH2  ARG  89          2HH1      ARG  89   4.404 -16.735  -7.156
  714    H    LEU  90           H        LEU  90   5.466  -8.830  -7.886
  715    HA   LEU  90           HA       LEU  90   2.910  -9.380  -9.093
  716   1HB   LEU  90          1HB       LEU  90   4.449  -6.930  -8.270
  717   2HB   LEU  90          2HB       LEU  90   3.165  -6.725  -9.457
  718    HG   LEU  90           HG       LEU  90   1.497  -7.660  -7.994
  719   1HD1  LEU  90          1HD1      LEU  90   1.948  -8.218  -5.634
  720   2HD1  LEU  90          2HD1      LEU  90   2.811  -9.305  -6.712
  721   3HD1  LEU  90          3HD1      LEU  90   3.682  -7.990  -5.892
  722   1HD2  LEU  90          1HD2      LEU  90   3.199  -5.583  -6.549
  723   2HD2  LEU  90          2HD2      LEU  90   2.067  -5.253  -7.881
  724   3HD2  LEU  90          3HD2      LEU  90   1.457  -5.866  -6.343
  725    H    CYS  91           H        CYS  91   6.013  -8.129 -10.423
  726    HA   CYS  91           HA       CYS  91   5.120  -7.654 -13.061
  727   1HB   CYS  91          1HB       CYS  91   7.321  -6.968 -12.126
  728   2HB   CYS  91          2HB       CYS  91   7.823  -8.667 -12.049
  729    HG   CYS  91           HG       CYS  91   9.040  -7.505 -14.021
  730    H    GLU  92           H        GLU  92   6.405 -10.673 -11.492
  731    HA   GLU  92           HA       GLU  92   6.253 -12.343 -13.760
  732   1HB   GLU  92          1HB       GLU  92   7.514 -12.875 -11.732
  733   2HB   GLU  92          2HB       GLU  92   6.029 -12.967 -10.789
  734   1HG   GLU  92          1HG       GLU  92   5.286 -14.913 -12.174
  735   2HG   GLU  92          2HG       GLU  92   6.817 -14.831 -13.057
  736    H    MET  93           H        MET  93   3.763 -11.593 -11.250
  737    HA   MET  93           HA       MET  93   1.859 -13.497 -12.305
  738   1HB   MET  93          1HB       MET  93   1.602 -11.164 -10.362
  739   2HB   MET  93          2HB       MET  93   0.248 -12.199 -10.832
  740   1HG   MET  93          1HG       MET  93   1.510 -14.200 -10.047
  741   2HG   MET  93          2HG       MET  93   2.812 -13.149  -9.506
  742   1HE   MET  93          1HE       MET  93  -1.222 -12.835  -9.143
  743   2HE   MET  93          2HE       MET  93  -0.737 -14.535  -8.933
  744   3HE   MET  93          3HE       MET  93  -1.363 -13.613  -7.553
  745    H    ALA  94           H        ALA  94   2.480 -10.038 -12.957
  746    HA   ALA  94           HA       ALA  94   0.381 -10.106 -15.072
  747   1HB   ALA  94          1HB       ALA  94   0.616  -8.007 -12.877
  748   2HB   ALA  94          2HB       ALA  94  -0.502  -7.961 -14.259
  749   3HB   ALA  94          3HB       ALA  94  -0.670  -9.226 -13.025
  750    HA   PRO  95           HA       PRO  95   4.488  -8.263 -16.247
  751   1HB   PRO  95          1HB       PRO  95   4.771  -9.443 -18.734
  752   2HB   PRO  95          2HB       PRO  95   5.312 -10.169 -17.191
  753   1HG   PRO  95          1HG       PRO  95   2.735 -10.688 -18.696
  754   2HG   PRO  95          2HG       PRO  95   3.852 -11.881 -17.961
  755   1HD   PRO  95          1HD       PRO  95   1.591 -11.078 -16.693
  756   2HD   PRO  95          2HD       PRO  95   3.098 -11.376 -15.778
  757    H    GLU  96           H        GLU  96   1.413  -8.505 -18.079
  758    HA   GLU  96           HA       GLU  96   1.947  -6.345 -19.857
  759   1HB   GLU  96          1HB       GLU  96  -0.436  -6.384 -20.293
  760   2HB   GLU  96          2HB       GLU  96   0.188  -8.030 -20.195
  761   1HG   GLU  96          1HG       GLU  96  -0.664  -8.163 -17.824
  762   2HG   GLU  96          2HG       GLU  96  -1.383  -6.565 -18.025
  763    H    MET  97           H        MET  97   1.513  -6.262 -16.442
  764    HA   MET  97           HA       MET  97   0.664  -3.419 -16.477
  765   1HB   MET  97          1HB       MET  97  -0.782  -5.241 -15.390
  766   2HB   MET  97          2HB       MET  97   0.523  -5.463 -14.220
  767   1HG   MET  97          1HG       MET  97  -1.219  -4.075 -13.319
  768   2HG   MET  97          2HG       MET  97   0.246  -3.134 -13.473
  769   1HE   MET  97          1HE       MET  97  -1.427  -0.928 -13.051
  770   2HE   MET  97          2HE       MET  97  -2.835  -0.619 -14.082
  771   3HE   MET  97          3HE       MET  97  -2.811  -2.037 -13.017
  772    H    ARG  98           H        ARG  98   3.486  -5.177 -16.412
  773    HA   ARG  98           HA       ARG  98   4.694  -4.688 -13.993
  774   1HB   ARG  98          1HB       ARG  98   6.808  -5.115 -15.042
  775   2HB   ARG  98          2HB       ARG  98   5.574  -6.164 -15.734
  776   1HG   ARG  98          1HG       ARG  98   5.432  -4.476 -17.685
  777   2HG   ARG  98          2HG       ARG  98   6.885  -3.724 -17.024
  778   1HD   ARG  98          1HD       ARG  98   6.633  -6.648 -17.845
  779   2HD   ARG  98          2HD       ARG  98   7.323  -5.367 -18.857
  780    HE   ARG  98           HE       ARG  98   8.782  -5.186 -16.540
  781   1HH1  ARG  98          1HH1      ARG  98   8.142  -7.814 -18.838
  782   2HH1  ARG  98          2HH1      ARG  98   9.631  -8.632 -18.542
  783   1HH2  ARG  98          1HH2      ARG  98  10.777  -6.267 -16.150
  784   2HH2  ARG  98          2HH2      ARG  98  11.163  -7.723 -16.982
  785    H    GLY  99           H        GLY  99   4.561  -2.325 -16.684
  786   1HA   GLY  99          1HA       GLY  99   6.414  -0.468 -15.581
  787   2HA   GLY  99          2HA       GLY  99   5.143  -0.118 -16.763
  788    H    LYS 100           H        LYS 100   3.047  -1.150 -14.752
  789    HA   LYS 100           HA       LYS 100   2.727   1.409 -13.284
  790   1HB   LYS 100          1HB       LYS 100   0.816  -0.906 -13.783
  791   2HB   LYS 100          2HB       LYS 100   0.404   0.593 -12.968
  792   1HG   LYS 100          1HG       LYS 100   1.173   0.325 -15.905
  793   2HG   LYS 100          2HG       LYS 100  -0.442   0.554 -15.239
  794   1HD   LYS 100          1HD       LYS 100   0.469   2.745 -14.187
  795   2HD   LYS 100          2HD       LYS 100   1.878   2.522 -15.226
  796   1HE   LYS 100          1HE       LYS 100   0.372   4.007 -16.365
  797   2HE   LYS 100          2HE       LYS 100   0.348   2.458 -17.216
  798   1HZ   LYS 100          1HZ       LYS 100  -1.723   1.963 -15.950
  799   2HZ   LYS 100          2HZ       LYS 100  -1.734   3.479 -15.342
  800   3HZ   LYS 100          3HZ       LYS 100  -1.878   3.251 -16.950
  801    H    VAL 101           H        VAL 101   4.067  -1.662 -12.599
  802    HA   VAL 101           HA       VAL 101   3.077  -1.678  -9.838
  803    HB   VAL 101           HB       VAL 101   5.273  -3.353 -11.123
  804   1HG1  VAL 101          1HG1      VAL 101   3.726  -3.686  -8.508
  805   2HG1  VAL 101          2HG1      VAL 101   4.945  -4.809  -9.162
  806   3HG1  VAL 101          3HG1      VAL 101   5.418  -3.187  -8.649
  807   1HG2  VAL 101          1HG2      VAL 101   3.633  -5.189 -11.192
  808   2HG2  VAL 101          2HG2      VAL 101   2.356  -4.104 -10.595
  809   3HG2  VAL 101          3HG2      VAL 101   3.082  -3.854 -12.193
  810    H    MET 102           H        MET 102   4.173  -0.493  -8.220
  811    HA   MET 102           HA       MET 102   6.855   0.650  -8.880
  812   1HB   MET 102          1HB       MET 102   4.399   2.270  -8.109
  813   2HB   MET 102          2HB       MET 102   6.033   2.910  -8.311
  814   1HG   MET 102          1HG       MET 102   5.979   2.227 -10.702
  815   2HG   MET 102          2HG       MET 102   4.322   1.662 -10.493
  816   1HE   MET 102          1HE       MET 102   2.274   3.145  -9.921
  817   2HE   MET 102          2HE       MET 102   3.043   4.053  -8.597
  818   3HE   MET 102          3HE       MET 102   2.281   4.925  -9.938
  819    H    LEU 103           H        LEU 103   8.072   1.273  -7.077
  820    HA   LEU 103           HA       LEU 103   7.359   0.060  -4.561
  821   1HB   LEU 103          1HB       LEU 103   9.732   0.297  -5.430
  822   2HB   LEU 103          2HB       LEU 103   9.590   2.037  -5.253
  823    HG   LEU 103           HG       LEU 103   9.323   1.790  -2.809
  824   1HD1  LEU 103          1HD1      LEU 103   9.670  -1.198  -3.336
  825   2HD1  LEU 103          2HD1      LEU 103   9.749  -0.419  -1.741
  826   3HD1  LEU 103          3HD1      LEU 103   8.240  -0.411  -2.633
  827   1HD2  LEU 103          1HD2      LEU 103  11.714   0.244  -3.871
  828   2HD2  LEU 103          2HD2      LEU 103  11.572   2.013  -3.825
  829   3HD2  LEU 103          3HD2      LEU 103  11.606   1.093  -2.313
  830    H    PHE 104           H        PHE 104   6.138   1.004  -2.945
  831    HA   PHE 104           HA       PHE 104   5.049   3.570  -3.272
  832   1HB   PHE 104          1HB       PHE 104   4.149   1.622  -1.945
  833   2HB   PHE 104          2HB       PHE 104   5.300   2.014  -0.671
  834    HD1  PHE 104           HD1      PHE 104   4.061   2.872   1.150
  835    HD2  PHE 104           HD2      PHE 104   3.011   4.120  -2.839
  836    HE1  PHE 104           HE1      PHE 104   2.266   4.338   2.064
  837    HE2  PHE 104           HE2      PHE 104   1.270   5.584  -1.937
  838    HZ   PHE 104           HZ       PHE 104   0.830   5.651   0.511
  839    H    GLY 105           H        GLY 105   7.966   2.569  -1.471
  840   1HA   GLY 105          1HA       GLY 105   8.361   5.250  -0.354
  841   2HA   GLY 105          2HA       GLY 105   9.405   3.846  -0.160
  842    H    HIS 106           H        HIS 106   8.536   4.564  -3.480
  843    HA   HIS 106           HA       HIS 106  11.103   4.758  -4.456
  844   1HB   HIS 106          1HB       HIS 106   9.317   4.361  -5.920
  845   2HB   HIS 106          2HB       HIS 106   8.478   5.845  -5.454
  846    HD1  HIS 106           HD1      HIS 106  11.629   4.792  -7.524
  847    HD2  HIS 106           HD2      HIS 106   8.954   7.999  -6.853
  848    HE1  HIS 106           HE1      HIS 106  12.160   6.557  -9.267
  849    H    TRP 107           H        TRP 107   9.009   7.525  -3.473
  850    HA   TRP 107           HA       TRP 107  10.739   9.562  -4.341
  851   1HB   TRP 107          1HB       TRP 107   8.929   9.703  -1.908
  852   2HB   TRP 107          2HB       TRP 107   9.412  11.024  -2.964
  853    HD1  TRP 107           HD1      TRP 107   6.780   8.432  -2.477
  854    HE1  TRP 107           HE1      TRP 107   5.055   8.493  -4.327
  855    HE3  TRP 107           HE3      TRP 107   9.241  11.502  -5.770
  856    HZ2  TRP 107           HZ2      TRP 107   4.746   9.714  -6.948
  857    HZ3  TRP 107           HZ3      TRP 107   8.202  12.080  -7.948
  858    HH2  TRP 107           HH2      TRP 107   5.948  11.194  -8.539
  859    H    ASP 108           H        ASP 108  10.920   7.589  -1.414
  860    HA   ASP 108           HA       ASP 108  12.767   9.458  -0.085
  861   1HB   ASP 108          1HB       ASP 108  10.918   8.306   1.146
  862   2HB   ASP 108          2HB       ASP 108  11.715   6.758   0.848
  863    H    ASN 109           H        ASN 109  13.928   8.884  -2.348
  864    HA   ASN 109           HA       ASN 109  15.392   7.752  -3.564
  865   1HB   ASN 109          1HB       ASN 109  17.507   7.965  -2.968
  866   2HB   ASN 109          2HB       ASN 109  16.758   9.015  -1.783
  867   1HD2  ASN 109          2HD2      ASN 109  16.010   7.190   0.257
  868   2HD2  ASN 109          1HD2      ASN 109  17.483   6.510   0.913
  869    H    GLU 110           H        GLU 110  13.438   6.173  -3.267
  870    HA   GLU 110           HA       GLU 110  12.664   4.079  -3.283
  871   1HB   GLU 110          1HB       GLU 110  15.386   3.388  -4.432
  872   2HB   GLU 110          2HB       GLU 110  13.851   2.543  -4.685
  873   1HG   GLU 110          1HG       GLU 110  12.981   4.852  -5.533
  874   2HG   GLU 110          2HG       GLU 110  14.682   5.278  -5.689
  875    H    CYS 111           H        CYS 111  13.477   4.713  -0.728
  876    HA   CYS 111           HA       CYS 111  14.673   2.375   0.523
  877   1HB   CYS 111          1HB       CYS 111  12.940   4.680   1.490
  878   2HB   CYS 111          2HB       CYS 111  13.398   3.325   2.550
  879    HG   CYS 111           HG       CYS 111  15.247   5.456   0.888
  880    H    GLU 112           H        GLU 112  13.716   0.459   0.870
  881    HA   GLU 112           HA       GLU 112  10.905   0.016   0.135
  882   1HB   GLU 112          1HB       GLU 112  13.170  -1.767   1.121
  883   2HB   GLU 112          2HB       GLU 112  11.535  -2.358   0.778
  884   1HG   GLU 112          1HG       GLU 112  11.683  -1.755  -1.543
  885   2HG   GLU 112          2HG       GLU 112  13.139  -0.812  -1.298
  886    H    ILE 113           H        ILE 113   9.335  -0.850   1.656
  887    HA   ILE 113           HA       ILE 113   9.507   0.595   4.177
  888    HB   ILE 113           HB       ILE 113   7.339  -1.317   3.285
  889   1HG1  ILE 113          1HG1      ILE 113   7.533   0.279   1.457
  890   2HG1  ILE 113          2HG1      ILE 113   6.068   0.559   2.363
  891   1HG2  ILE 113          1HG2      ILE 113   7.273   1.042   5.213
  892   2HG2  ILE 113          2HG2      ILE 113   5.879   0.059   4.725
  893   3HG2  ILE 113          3HG2      ILE 113   7.194  -0.675   5.633
  894   1HD1  ILE 113          1HD1      ILE 113   7.159   2.659   1.694
  895   2HD1  ILE 113          2HD1      ILE 113   7.073   2.530   3.454
  896   3HD1  ILE 113          3HD1      ILE 113   8.613   2.226   2.609
  897    HA   PRO 114           HA       PRO 114  11.077  -3.041   6.457
  898   1HB   PRO 114          1HB       PRO 114   9.684  -1.744   8.785
  899   2HB   PRO 114          2HB       PRO 114  11.355  -2.366   8.676
  900   1HG   PRO 114          1HG       PRO 114  10.837   0.312   8.594
  901   2HG   PRO 114          2HG       PRO 114  12.103  -0.420   7.557
  902   1HD   PRO 114          1HD       PRO 114   9.288   0.378   6.800
  903   2HD   PRO 114          2HD       PRO 114  10.822   0.595   5.899
  904    H    ASP 115           H        ASP 115  10.057  -4.863   7.720
  905    HA   ASP 115           HA       ASP 115   7.173  -5.203   7.021
  906   1HB   ASP 115          1HB       ASP 115   8.408  -6.962   6.094
  907   2HB   ASP 115          2HB       ASP 115   9.438  -7.126   7.527
  908    HA   PRO 116           HA       PRO 116   6.829  -4.869  11.543
  909   1HB   PRO 116          1HB       PRO 116   4.245  -4.196  11.779
  910   2HB   PRO 116          2HB       PRO 116   5.404  -3.071  11.016
  911   1HG   PRO 116          1HG       PRO 116   3.512  -5.021   9.646
  912   2HG   PRO 116          2HG       PRO 116   3.727  -3.277   9.301
  913   1HD   PRO 116          1HD       PRO 116   5.036  -5.273   7.906
  914   2HD   PRO 116          2HD       PRO 116   5.755  -3.661   8.176
  915    H    TYR 117           H        TYR 117   5.398  -7.328   9.478
  916    HA   TYR 117           HA       TYR 117   3.365  -8.349  11.012
  917   1HB   TYR 117          1HB       TYR 117   3.786  -9.010   8.729
  918   2HB   TYR 117          2HB       TYR 117   5.348  -9.698   9.164
  919    HD1  TYR 117           HD1      TYR 117   5.547 -11.963   9.589
  920    HD2  TYR 117           HD2      TYR 117   1.698 -10.078   9.959
  921    HE1  TYR 117           HE1      TYR 117   4.507 -14.195   9.899
  922    HE2  TYR 117           HE2      TYR 117   0.636 -12.304  10.331
  923    HH   TYR 117           HH       TYR 117   2.497 -15.372  10.127
  924    H    ARG 118           H        ARG 118   3.171  -9.403  12.870
  925    HA   ARG 118           HA       ARG 118   3.612 -10.516  14.750
  926   1HB   ARG 118          1HB       ARG 118   3.821 -12.192  12.826
  927   2HB   ARG 118          2HB       ARG 118   5.557 -12.193  13.131
  928   1HG   ARG 118          1HG       ARG 118   5.205 -13.074  15.383
  929   2HG   ARG 118          2HG       ARG 118   3.456 -12.835  15.261
  930   1HD   ARG 118          1HD       ARG 118   5.074 -14.687  13.460
  931   2HD   ARG 118          2HD       ARG 118   4.249 -15.222  14.924
  932    HE   ARG 118           HE       ARG 118   3.073 -14.539  12.337
  933   1HH1  ARG 118          1HH2      ARG 118   2.335 -15.067  15.773
  934   2HH1  ARG 118          2HH2      ARG 118   0.653 -15.337  15.506
  935   1HH2  ARG 118          1HH1      ARG 118   0.882 -14.902  11.978
  936   2HH2  ARG 118          2HH1      ARG 118  -0.201 -15.245  13.287
  937    H    LYS 119           H        LYS 119   5.319  -8.132  14.244
  938    HA   LYS 119           HA       LYS 119   7.408  -8.762  16.289
  939   1HB   LYS 119          1HB       LYS 119   7.601  -7.052  13.780
  940   2HB   LYS 119          2HB       LYS 119   8.707  -6.853  15.143
  941   1HG   LYS 119          1HG       LYS 119   9.444  -9.152  15.019
  942   2HG   LYS 119          2HG       LYS 119   8.293  -9.531  13.743
  943   1HD   LYS 119          1HD       LYS 119  10.513  -7.466  13.462
  944   2HD   LYS 119          2HD       LYS 119  10.699  -9.157  13.011
  945   1HE   LYS 119          1HE       LYS 119   8.639  -7.250  11.808
  946   2HE   LYS 119          2HE       LYS 119  10.190  -7.658  11.082
  947   1HZ   LYS 119          1HZ       LYS 119   7.937  -9.518  11.544
  948   2HZ   LYS 119          2HZ       LYS 119   8.504  -9.004  10.105
  949   3HZ   LYS 119          3HZ       LYS 119   9.429  -9.997  11.020
  950    H    SER 120           H        SER 120   8.146  -6.582  17.313
  951    HA   SER 120           HA       SER 120   6.020  -5.926  18.984
  952   1HB   SER 120          1HB       SER 120   8.587  -4.344  18.553
  953   2HB   SER 120          2HB       SER 120   7.618  -4.421  20.039
  954    HG   SER 120           HG       SER 120   9.433  -5.823  20.109
  955    H    ARG 121           H        ARG 121   5.036  -3.832  19.507
  956    HA   ARG 121           HA       ARG 121   3.764  -2.688  17.279
  957   1HB   ARG 121          1HB       ARG 121   2.876  -2.777  19.597
  958   2HB   ARG 121          2HB       ARG 121   4.019  -1.518  20.085
  959   1HG   ARG 121          1HG       ARG 121   2.978   0.088  18.562
  960   2HG   ARG 121          2HG       ARG 121   1.935  -1.164  17.881
  961   1HD   ARG 121          1HD       ARG 121   1.866  -0.235  20.783
  962   2HD   ARG 121          2HD       ARG 121   0.812   0.373  19.495
  963    HE   ARG 121           HE       ARG 121   0.731  -2.516  19.729
  964   1HH1  ARG 121          1HH1      ARG 121  -0.567   0.454  21.172
  965   2HH1  ARG 121          2HH1      ARG 121  -2.017  -0.284  21.740
  966   1HH2  ARG 121          1HH2      ARG 121  -1.219  -3.505  20.473
  967   2HH2  ARG 121          2HH2      ARG 121  -2.412  -2.570  21.285
  968    H    GLU 122           H        GLU 122   6.773  -1.615  18.887
  969    HA   GLU 122           HA       GLU 122   6.897   0.940  17.685
  970   1HB   GLU 122          1HB       GLU 122   9.287   0.859  18.114
  971   2HB   GLU 122          2HB       GLU 122   8.364   0.278  19.498
  972   1HG   GLU 122          1HG       GLU 122   8.875  -2.071  18.851
  973   2HG   GLU 122          2HG       GLU 122   9.815  -1.489  17.475
  974    H    THR 123           H        THR 123   7.412  -2.258  16.245
  975    HA   THR 123           HA       THR 123   8.767  -1.283  13.878
  976    HB   THR 123           HB       THR 123   7.041  -3.742  13.755
  977    HG1  THR 123           1HG      THR 123   7.788  -4.121  15.714
  978   1HG2  THR 123          1HG2      THR 123   9.945  -3.191  12.996
  979   2HG2  THR 123          2HG2      THR 123   9.024  -4.665  12.625
  980   3HG2  THR 123          3HG2      THR 123   8.554  -3.120  11.892
  981    H    PHE 124           H        PHE 124   5.326  -1.913  14.813
  982    HA   PHE 124           HA       PHE 124   4.237  -1.200  12.242
  983   1HB   PHE 124          1HB       PHE 124   3.051  -1.305  15.039
  984   2HB   PHE 124          2HB       PHE 124   2.138  -0.796  13.633
  985    HD1  PHE 124           HD1      PHE 124   1.235  -2.352  12.065
  986    HD2  PHE 124           HD2      PHE 124   3.940  -3.710  15.148
  987    HE1  PHE 124           HE1      PHE 124   0.624  -4.709  11.582
  988    HE2  PHE 124           HE2      PHE 124   3.333  -6.052  14.637
  989    HZ   PHE 124           HZ       PHE 124   1.675  -6.560  12.857
  990    H    ALA 125           H        ALA 125   5.054   0.715  15.191
  991    HA   ALA 125           HA       ALA 125   3.924   3.160  14.260
  992   1HB   ALA 125          1HB       ALA 125   6.302   2.751  16.123
  993   2HB   ALA 125          2HB       ALA 125   5.325   4.221  15.957
  994   3HB   ALA 125          3HB       ALA 125   4.588   2.744  16.609
  995    H    ALA 126           H        ALA 126   7.294   1.884  13.930
  996    HA   ALA 126           HA       ALA 126   8.321   4.088  12.439
  997   1HB   ALA 126          1HB       ALA 126   9.096   1.132  12.348
  998   2HB   ALA 126          2HB       ALA 126  10.065   2.487  11.731
  999   3HB   ALA 126          3HB       ALA 126   9.743   2.350  13.471
 1000    H    VAL 127           H        VAL 127   6.775   1.018  11.351
 1001    HA   VAL 127           HA       VAL 127   6.967   1.608   8.572
 1002    HB   VAL 127           HB       VAL 127   5.229  -0.242  10.234
 1003   1HG1  VAL 127          1HG1      VAL 127   5.274  -0.018   7.199
 1004   2HG1  VAL 127          2HG1      VAL 127   4.637  -1.400   8.116
 1005   3HG1  VAL 127          3HG1      VAL 127   3.869   0.180   8.271
 1006   1HG2  VAL 127          1HG2      VAL 127   7.708  -0.698   9.994
 1007   2HG2  VAL 127          2HG2      VAL 127   6.707  -1.955   9.278
 1008   3HG2  VAL 127          3HG2      VAL 127   7.488  -0.750   8.238
 1009    H    TYR 128           H        TYR 128   4.249   2.310  10.927
 1010    HA   TYR 128           HA       TYR 128   2.538   3.473   9.012
 1011   1HB   TYR 128          1HB       TYR 128   1.917   2.945  11.357
 1012   2HB   TYR 128          2HB       TYR 128   2.917   4.276  11.929
 1013    HD1  TYR 128           HD1      TYR 128   2.318   6.690  11.130
 1014    HD2  TYR 128           HD2      TYR 128  -0.342   3.316  10.710
 1015    HE1  TYR 128           HE1      TYR 128   0.454   8.231  10.675
 1016    HE2  TYR 128           HE2      TYR 128  -2.231   4.857  10.309
 1017    HH   TYR 128           HH       TYR 128  -2.908   7.061  10.129
 1018    H    THR 129           H        THR 129   5.209   4.986  10.925
 1019    HA   THR 129           HA       THR 129   4.740   7.629   9.999
 1020    HB   THR 129           HB       THR 129   7.375   6.353  10.865
 1021    HG1  THR 129           1HG      THR 129   5.870   5.980  12.452
 1022   1HG2  THR 129          1HG2      THR 129   6.385   9.240  10.997
 1023   2HG2  THR 129          2HG2      THR 129   7.900   8.631  11.706
 1024   3HG2  THR 129          3HG2      THR 129   7.681   8.622   9.951
 1025    H    LEU 130           H        LEU 130   6.876   5.023   8.681
 1026    HA   LEU 130           HA       LEU 130   7.886   6.659   6.557
 1027   1HB   LEU 130          1HB       LEU 130   9.006   4.648   7.466
 1028   2HB   LEU 130          2HB       LEU 130   7.704   3.631   6.843
 1029    HG   LEU 130           HG       LEU 130   8.313   4.185   4.532
 1030   1HD1  LEU 130          1HD1      LEU 130  10.429   5.448   4.059
 1031   2HD1  LEU 130          2HD1      LEU 130   9.158   6.473   4.718
 1032   3HD1  LEU 130          3HD1      LEU 130  10.496   5.922   5.770
 1033   1HD2  LEU 130          1HD2      LEU 130   9.371   2.328   5.663
 1034   2HD2  LEU 130          2HD2      LEU 130  10.485   3.044   4.486
 1035   3HD2  LEU 130          3HD2      LEU 130  10.698   3.364   6.227
 1036    H    LEU 131           H        LEU 131   5.090   4.430   6.790
 1037    HA   LEU 131           HA       LEU 131   4.365   4.601   4.009
 1038   1HB   LEU 131          1HB       LEU 131   2.765   3.925   6.514
 1039   2HB   LEU 131          2HB       LEU 131   2.076   3.897   4.897
 1040    HG   LEU 131           HG       LEU 131   4.408   2.148   5.799
 1041   1HD1  LEU 131          1HD1      LEU 131   2.259   1.545   6.868
 1042   2HD1  LEU 131          2HD1      LEU 131   1.492   1.449   5.262
 1043   3HD1  LEU 131          3HD1      LEU 131   2.784   0.316   5.711
 1044   1HD2  LEU 131          1HD2      LEU 131   3.949   0.914   3.693
 1045   2HD2  LEU 131          2HD2      LEU 131   2.862   2.216   3.191
 1046   3HD2  LEU 131          3HD2      LEU 131   4.599   2.528   3.428
 1047    H    GLU 132           H        GLU 132   3.587   6.639   6.881
 1048    HA   GLU 132           HA       GLU 132   1.686   8.250   5.479
 1049   1HB   GLU 132          1HB       GLU 132   1.775   8.196   7.894
 1050   2HB   GLU 132          2HB       GLU 132   3.399   8.871   7.922
 1051   1HG   GLU 132          1HG       GLU 132   1.089  10.361   6.593
 1052   2HG   GLU 132          2HG       GLU 132   1.327  10.432   8.340
 1053    H    ARG 133           H        ARG 133   5.260   8.714   6.032
 1054    HA   ARG 133           HA       ARG 133   5.494  11.035   4.423
 1055   1HB   ARG 133          1HB       ARG 133   7.438   8.705   4.807
 1056   2HB   ARG 133          2HB       ARG 133   7.830  10.179   3.909
 1057   1HG   ARG 133          1HG       ARG 133   7.361  11.548   5.911
 1058   2HG   ARG 133          2HG       ARG 133   6.953  10.078   6.809
 1059   1HD   ARG 133          1HD       ARG 133   9.230  10.837   7.337
 1060   2HD   ARG 133          2HD       ARG 133   9.230   9.244   6.587
 1061    HE   ARG 133           HE       ARG 133   9.913  11.820   5.212
 1062   1HH1  ARG 133          1HH2      ARG 133  10.541   8.345   5.621
 1063   2HH1  ARG 133          2HH2      ARG 133  11.762   8.272   4.389
 1064   1HH2  ARG 133          1HH1      ARG 133  11.629  11.741   3.672
 1065   2HH2  ARG 133          2HH1      ARG 133  12.429  10.236   3.325
 1066    H    SER 134           H        SER 134   5.585   7.613   3.429
 1067    HA   SER 134           HA       SER 134   6.075   8.087   0.673
 1068   1HB   SER 134          1HB       SER 134   4.539   5.789   1.949
 1069   2HB   SER 134          2HB       SER 134   5.252   5.806   0.328
 1070    HG   SER 134           HG       SER 134   6.583   5.925   2.848
 1071    H    ALA 135           H        ALA 135   2.927   7.670   2.417
 1072    HA   ALA 135           HA       ALA 135   1.280   8.071   0.144
 1073   1HB   ALA 135          1HB       ALA 135  -0.500   8.510   1.790
 1074   2HB   ALA 135          2HB       ALA 135   0.478   7.120   2.302
 1075   3HB   ALA 135          3HB       ALA 135   0.706   8.703   3.076
 1076    H    ARG 136           H        ARG 136   2.716  10.415   2.467
 1077    HA   ARG 136           HA       ARG 136   1.304  12.718   1.541
 1078   1HB   ARG 136          1HB       ARG 136   2.684  12.400   3.672
 1079   2HB   ARG 136          2HB       ARG 136   4.135  12.564   2.682
 1080   1HG   ARG 136          1HG       ARG 136   3.130  14.847   1.946
 1081   2HG   ARG 136          2HG       ARG 136   2.008  14.643   3.285
 1082   1HD   ARG 136          1HD       ARG 136   5.028  14.866   3.350
 1083   2HD   ARG 136          2HD       ARG 136   3.832  15.975   4.061
 1084    HE   ARG 136           HE       ARG 136   3.515  13.500   5.367
 1085   1HH1  ARG 136          1HH2      ARG 136   5.996  16.042   5.052
 1086   2HH1  ARG 136          2HH2      ARG 136   6.747  15.679   6.559
 1087   1HH2  ARG 136          1HH1      ARG 136   4.543  12.980   7.318
 1088   2HH2  ARG 136          2HH1      ARG 136   5.886  13.922   7.894
 1089    H    GLN 137           H        GLN 137   4.478  11.282   0.587
 1090    HA   GLN 137           HA       GLN 137   5.107  13.280  -1.334
 1091   1HB   GLN 137          1HB       GLN 137   5.989  10.383  -1.082
 1092   2HB   GLN 137          2HB       GLN 137   6.713  11.553  -2.187
 1093   1HG   GLN 137          1HG       GLN 137   6.631  12.106   0.802
 1094   2HG   GLN 137          2HG       GLN 137   7.845  11.048   0.098
 1095   1HE2  GLN 137          2HE2      GLN 137   9.336  12.651   1.053
 1096   2HE2  GLN 137          1HE2      GLN 137   9.706  14.097   0.142
 1097    H    TRP 138           H        TRP 138   3.522  10.015  -1.732
 1098    HA   TRP 138           HA       TRP 138   3.112  10.301  -4.524
 1099   1HB   TRP 138          1HB       TRP 138   1.723   8.660  -2.396
 1100   2HB   TRP 138          2HB       TRP 138   1.087   8.728  -4.035
 1101    HD1  TRP 138           HD1      TRP 138   3.796   7.092  -2.035
 1102    HE1  TRP 138           HE1      TRP 138   5.347   5.731  -3.468
 1103    HE3  TRP 138           HE3      TRP 138   1.992   8.459  -6.629
 1104    HZ2  TRP 138           HZ2      TRP 138   5.789   5.242  -6.312
 1105    HZ3  TRP 138           HZ3      TRP 138   3.033   7.553  -8.689
 1106    HH2  TRP 138           HH2      TRP 138   4.952   5.979  -8.541
 1107    H    ALA 139           H        ALA 139   1.006  11.358  -1.774
 1108    HA   ALA 139           HA       ALA 139  -1.107  12.334  -3.394
 1109   1HB   ALA 139          1HB       ALA 139  -0.069  13.263  -0.673
 1110   2HB   ALA 139          2HB       ALA 139  -1.604  13.757  -1.389
 1111   3HB   ALA 139          3HB       ALA 139  -1.331  12.050  -0.979
 1112    H    GLN 140           H        GLN 140   1.809  14.032  -2.118
 1113    HA   GLN 140           HA       GLN 140   1.274  16.560  -3.213
 1114   1HB   GLN 140          1HB       GLN 140   2.925  16.178  -1.479
 1115   2HB   GLN 140          2HB       GLN 140   3.870  15.124  -2.529
 1116   1HG   GLN 140          1HG       GLN 140   4.983  17.234  -2.291
 1117   2HG   GLN 140          2HG       GLN 140   4.479  17.037  -3.958
 1118   1HE2  GLN 140          2HE2      GLN 140   2.559  18.310  -4.717
 1119   2HE2  GLN 140          1HE2      GLN 140   2.182  19.817  -3.899
 1120    H    ALA 141           H        ALA 141   2.934  13.720  -4.689
 1121    HA   ALA 141           HA       ALA 141   3.664  15.121  -7.101
 1122   1HB   ALA 141          1HB       ALA 141   3.319  12.140  -6.526
 1123   2HB   ALA 141          2HB       ALA 141   4.116  12.849  -7.946
 1124   3HB   ALA 141          3HB       ALA 141   4.811  13.086  -6.331
 1125    H    LEU 142           H        LEU 142   1.068  12.715  -6.404
 1126    HA   LEU 142           HA       LEU 142  -0.167  12.763  -8.923
 1127   1HB   LEU 142          1HB       LEU 142  -1.282  12.207  -6.148
 1128   2HB   LEU 142          2HB       LEU 142  -2.236  11.991  -7.607
 1129    HG   LEU 142           HG       LEU 142   0.398  10.529  -7.125
 1130   1HD1  LEU 142          1HD1      LEU 142  -2.464   9.560  -6.699
 1131   2HD1  LEU 142          2HD1      LEU 142  -0.992   8.570  -6.567
 1132   3HD1  LEU 142          3HD1      LEU 142  -1.270   9.892  -5.425
 1133   1HD2  LEU 142          1HD2      LEU 142  -0.437   9.017  -8.906
 1134   2HD2  LEU 142          2HD2      LEU 142  -1.832  10.086  -9.150
 1135   3HD2  LEU 142          3HD2      LEU 142  -0.187  10.655  -9.506
 1136    H    ASN 143           H        ASN 143  -0.707  14.932  -6.145
 1137    HA   ASN 143           HA       ASN 143  -2.960  16.317  -7.033
 1138   1HB   ASN 143          1HB       ASN 143  -1.961  16.549  -4.800
 1139   2HB   ASN 143          2HB       ASN 143  -0.542  17.338  -5.494
 1140   1HD2  ASN 143          2HD2      ASN 143  -0.604  19.561  -5.254
 1141   2HD2  ASN 143          1HD2      ASN 143  -2.059  20.520  -5.220
 1142    H    ALA 144           H        ALA 144   0.214  16.389  -8.516
 1143    HA   ALA 144           HA       ALA 144  -0.799  18.436 -10.382
 1144   1HB   ALA 144          1HB       ALA 144   1.371  19.570 -10.400
 1145   2HB   ALA 144          2HB       ALA 144   0.680  19.580  -8.764
 1146   3HB   ALA 144          3HB       ALA 144   1.988  18.434  -9.170
 1147    H    GLU 145           H        GLU 145  -0.677  15.574 -10.398
 1148    HA   GLU 145           HA       GLU 145   0.435  15.319 -13.120
 1149   1HB   GLU 145          1HB       GLU 145   0.904  13.259 -10.913
 1150   2HB   GLU 145          2HB       GLU 145   1.133  12.971 -12.648
 1151   1HG   GLU 145          1HG       GLU 145   2.739  14.929 -12.684
 1152   2HG   GLU 145          2HG       GLU 145   2.665  14.956 -10.925
 1153    H    GLN 146           H        GLN 146  -1.926  16.186 -12.610
 1154    HA   GLN 146           HA       GLN 146  -3.787  13.993 -13.023
 1155   1HB   GLN 146          1HB       GLN 146  -5.336  15.191 -11.428
 1156   2HB   GLN 146          2HB       GLN 146  -3.879  14.471 -10.726
 1157   1HG   GLN 146          1HG       GLN 146  -4.270  16.438  -9.553
 1158   2HG   GLN 146          2HG       GLN 146  -2.821  16.635 -10.512
 1159   1HE2  GLN 146          2HE2      GLN 146  -3.029  18.889 -10.130
 1160   2HE2  GLN 146          1HE2      GLN 146  -4.099  19.866 -11.125
 1161    H    VAL 147           H        VAL 147  -5.439  14.396 -14.304
 1162    HA   VAL 147           HA       VAL 147  -5.808  16.822 -15.844
 1163    HB   VAL 147           HB       VAL 147  -5.387  15.376 -17.952
 1164   1HG1  VAL 147          1HG1      VAL 147  -3.967  17.321 -17.278
 1165   2HG1  VAL 147          2HG1      VAL 147  -2.886  16.196 -16.422
 1166   3HG1  VAL 147          3HG1      VAL 147  -3.093  16.072 -18.176
 1167   1HG2  VAL 147          1HG2      VAL 147  -3.568  13.797 -16.051
 1168   2HG2  VAL 147          2HG2      VAL 147  -5.023  13.175 -16.862
 1169   3HG2  VAL 147          3HG2      VAL 147  -3.622  13.660 -17.821
  Start of MODEL    9
    1    H    MET   1           H        MET   1  -5.633   9.981 -15.670
    2    HA   MET   1           HA       MET   1  -3.796  10.792 -13.535
    3   1HB   MET   1          1HB       MET   1  -5.645  12.370 -13.847
    4   2HB   MET   1          2HB       MET   1  -6.829  11.064 -13.735
    5   1HG   MET   1          1HG       MET   1  -6.611  12.398 -11.659
    6   2HG   MET   1          2HG       MET   1  -6.300  10.686 -11.407
    7   1HE   MET   1          1HE       MET   1  -4.038  12.620  -8.774
    8   2HE   MET   1          2HE       MET   1  -5.645  13.077  -9.376
    9   3HE   MET   1          3HE       MET   1  -5.297  11.380  -8.966
   10    H    PHE   2           H        PHE   2  -3.651   9.484 -11.732
   11    HA   PHE   2           HA       PHE   2  -4.231   6.675 -12.132
   12   1HB   PHE   2          1HB       PHE   2  -3.004   8.069  -9.727
   13   2HB   PHE   2          2HB       PHE   2  -2.865   6.371 -10.164
   14    HD1  PHE   2           HD1      PHE   2  -1.936   6.094 -12.781
   15    HD2  PHE   2           HD2      PHE   2  -1.087   9.360 -10.097
   16    HE1  PHE   2           HE1      PHE   2   0.132   6.598 -14.047
   17    HE2  PHE   2           HE2      PHE   2   0.973   9.864 -11.365
   18    HZ   PHE   2           HZ       PHE   2   1.598   8.483 -13.341
   19    H    ASN   3           H        ASN   3  -6.663   7.400 -12.203
   20    HA   ASN   3           HA       ASN   3  -8.050   8.340  -9.978
   21   1HB   ASN   3          1HB       ASN   3  -9.013   8.275 -12.217
   22   2HB   ASN   3          2HB       ASN   3  -9.023   6.507 -12.197
   23   1HD2  ASN   3          2HD2      ASN   3 -10.422   9.404 -10.539
   24   2HD2  ASN   3          1HD2      ASN   3 -11.856   8.580  -9.992
   25    H    ASN   4           H        ASN   4  -7.251   4.961 -10.761
   26    HA   ASN   4           HA       ASN   4  -8.496   4.085  -8.178
   27   1HB   ASN   4          1HB       ASN   4  -9.867   3.563 -10.225
   28   2HB   ASN   4          2HB       ASN   4  -8.497   2.652 -10.872
   29   1HD2  ASN   4          2HD2      ASN   4  -9.536   0.524 -10.810
   30   2HD2  ASN   4          1HD2      ASN   4  -9.929  -0.197  -9.280
   31    H    ILE   5           H        ILE   5  -7.038   3.090  -6.855
   32    HA   ILE   5           HA       ILE   5  -4.472   2.074  -8.045
   33    HB   ILE   5           HB       ILE   5  -5.004   3.826  -5.615
   34   1HG1  ILE   5          1HG1      ILE   5  -3.489   4.496  -8.177
   35   2HG1  ILE   5          2HG1      ILE   5  -5.114   5.046  -7.786
   36   1HG2  ILE   5          1HG2      ILE   5  -2.596   3.956  -5.209
   37   2HG2  ILE   5          2HG2      ILE   5  -3.108   2.298  -5.113
   38   3HG2  ILE   5          3HG2      ILE   5  -2.288   2.864  -6.583
   39   1HD1  ILE   5          1HD1      ILE   5  -3.635   6.848  -7.349
   40   2HD1  ILE   5          2HD1      ILE   5  -4.245   6.253  -5.797
   41   3HD1  ILE   5          3HD1      ILE   5  -2.586   5.862  -6.332
   42    H    LEU   6           H        LEU   6  -3.475   0.344  -6.901
   43    HA   LEU   6           HA       LEU   6  -5.067  -0.872  -4.663
   44   1HB   LEU   6          1HB       LEU   6  -5.156  -2.131  -6.875
   45   2HB   LEU   6          2HB       LEU   6  -3.414  -2.322  -6.765
   46    HG   LEU   6           HG       LEU   6  -3.722  -3.630  -4.651
   47   1HD1  LEU   6          1HD1      LEU   6  -6.040  -4.494  -4.162
   48   2HD1  LEU   6          2HD1      LEU   6  -5.835  -2.783  -3.822
   49   3HD1  LEU   6          3HD1      LEU   6  -6.681  -3.290  -5.294
   50   1HD2  LEU   6          1HD2      LEU   6  -3.539  -4.779  -6.812
   51   2HD2  LEU   6          2HD2      LEU   6  -4.666  -5.637  -5.750
   52   3HD2  LEU   6          3HD2      LEU   6  -5.289  -4.628  -7.070
   53    H    VAL   7           H        VAL   7  -3.766  -1.604  -2.911
   54    HA   VAL   7           HA       VAL   7  -0.817  -1.265  -3.197
   55    HB   VAL   7           HB       VAL   7  -2.384  -1.109  -0.598
   56   1HG1  VAL   7          1HG1      VAL   7   0.008  -1.715  -0.408
   57   2HG1  VAL   7          2HG1      VAL   7   0.458  -0.297  -1.382
   58   3HG1  VAL   7          3HG1      VAL   7  -0.274  -0.094   0.219
   59   1HG2  VAL   7          1HG2      VAL   7  -2.008   1.350  -0.647
   60   2HG2  VAL   7          2HG2      VAL   7  -1.432   1.223  -2.323
   61   3HG2  VAL   7          3HG2      VAL   7  -3.113   0.822  -1.913
   62    H    VAL   8           H        VAL   8   0.417  -3.093  -2.742
   63    HA   VAL   8           HA       VAL   8  -1.073  -5.529  -1.886
   64    HB   VAL   8           HB       VAL   8   0.862  -5.322  -4.207
   65   1HG1  VAL   8          1HG1      VAL   8  -0.033  -7.561  -4.797
   66   2HG1  VAL   8          2HG1      VAL   8   0.726  -7.583  -3.204
   67   3HG1  VAL   8          3HG1      VAL   8  -1.052  -7.543  -3.352
   68   1HG2  VAL   8          1HG2      VAL   8  -2.182  -5.429  -4.262
   69   2HG2  VAL   8          2HG2      VAL   8  -1.154  -4.105  -4.860
   70   3HG2  VAL   8          3HG2      VAL   8  -1.129  -5.665  -5.674
   71    H    CYS   9           H        CYS   9  -0.072  -6.590  -0.234
   72    HA   CYS   9           HA       CYS   9   2.916  -6.503  -0.025
   73   1HB   CYS   9          1HB       CYS   9   0.932  -6.084   2.263
   74   2HB   CYS   9          2HB       CYS   9   2.691  -6.108   2.402
   75    HG   CYS   9           HG       CYS   9   0.590  -4.002   1.070
   76    H    VAL  10           H        VAL  10   3.681  -8.223   1.733
   77    HA   VAL  10           HA       VAL  10   2.042 -10.705   1.369
   78    HB   VAL  10           HB       VAL  10   3.868 -11.790   2.663
   79   1HG1  VAL  10          1HG1      VAL  10   5.496 -11.760   0.783
   80   2HG1  VAL  10          2HG1      VAL  10   3.817 -11.935   0.256
   81   3HG1  VAL  10          3HG1      VAL  10   4.631 -10.371   0.083
   82   1HG2  VAL  10          1HG2      VAL  10   6.043 -10.684   2.928
   83   2HG2  VAL  10          2HG2      VAL  10   5.361  -9.143   2.381
   84   3HG2  VAL  10          3HG2      VAL  10   4.803  -9.877   3.893
   85    H    GLY  11           H        GLY  11   1.104 -11.769   3.240
   86   1HA   GLY  11          1HA       GLY  11   0.121 -11.850   5.330
   87   2HA   GLY  11          2HA       GLY  11   1.049 -10.427   5.832
   88    H    ASN  12           H        ASN  12   0.236  -8.631   3.794
   89    HA   ASN  12           HA       ASN  12  -1.338  -7.297   2.939
   90   1HB   ASN  12          1HB       ASN  12  -2.454  -9.408   2.246
   91   2HB   ASN  12          2HB       ASN  12  -3.437  -9.353   3.710
   92   1HD2  ASN  12          2HD2      ASN  12  -3.484  -6.120   3.133
   93   2HD2  ASN  12          1HD2      ASN  12  -4.719  -6.096   1.885
   94    H    ILE  13           H        ILE  13  -2.527  -8.697   6.023
   95    HA   ILE  13           HA       ILE  13  -4.302  -6.624   6.591
   96    HB   ILE  13           HB       ILE  13  -4.478  -7.672   8.798
   97   1HG1  ILE  13          1HG1      ILE  13  -2.151  -9.480   8.006
   98   2HG1  ILE  13          2HG1      ILE  13  -2.036  -8.144   9.147
   99   1HG2  ILE  13          1HG2      ILE  13  -5.251  -9.837   8.016
  100   2HG2  ILE  13          2HG2      ILE  13  -5.602  -8.619   6.802
  101   3HG2  ILE  13          3HG2      ILE  13  -4.242  -9.749   6.565
  102   1HD1  ILE  13          1HD1      ILE  13  -2.287 -10.177  10.401
  103   2HD1  ILE  13          2HD1      ILE  13  -3.779  -9.234  10.576
  104   3HD1  ILE  13          3HD1      ILE  13  -3.730 -10.643   9.490
  105    H    CYS  14           H        CYS  14  -1.134  -5.887   6.483
  106    HA   CYS  14           HA       CYS  14  -1.288  -4.050   8.849
  107   1HB   CYS  14          1HB       CYS  14   1.254  -5.388   7.818
  108   2HB   CYS  14          2HB       CYS  14   1.100  -4.273   9.182
  109    HG   CYS  14           HG       CYS  14  -0.263  -7.255   8.766
  110    H    ARG  15           H        ARG  15   0.925  -4.397   5.971
  111    HA   ARG  15           HA       ARG  15   1.216  -1.524   5.998
  112   1HB   ARG  15          1HB       ARG  15   2.217  -3.639   4.057
  113   2HB   ARG  15          2HB       ARG  15   2.648  -1.922   3.973
  114   1HG   ARG  15          1HG       ARG  15   3.539  -2.127   6.332
  115   2HG   ARG  15          2HG       ARG  15   3.297  -3.870   6.228
  116   1HD   ARG  15          1HD       ARG  15   5.134  -2.181   4.473
  117   2HD   ARG  15          2HD       ARG  15   5.619  -3.272   5.774
  118    HE   ARG  15           HE       ARG  15   4.058  -4.573   3.693
  119   1HH1  ARG  15          1HH2      ARG  15   7.431  -3.748   4.682
  120   2HH1  ARG  15          2HH2      ARG  15   8.092  -4.842   3.479
  121   1HH2  ARG  15          1HH1      ARG  15   5.163  -6.032   2.152
  122   2HH2  ARG  15          2HH1      ARG  15   6.894  -6.099   2.238
  123    H    SER  16           H        SER  16  -0.417  -3.768   3.643
  124    HA   SER  16           HA       SER  16  -1.105  -1.827   1.815
  125   1HB   SER  16          1HB       SER  16  -2.931  -4.137   2.501
  126   2HB   SER  16          2HB       SER  16  -2.747  -3.302   0.955
  127    HG   SER  16           HG       SER  16  -1.637  -5.222   0.899
  128    HA   PRO  17           HA       PRO  17  -5.212  -0.714   3.921
  129   1HB   PRO  17          1HB       PRO  17  -5.636  -1.180   6.609
  130   2HB   PRO  17          2HB       PRO  17  -6.151  -2.257   5.286
  131   1HG   PRO  17          1HG       PRO  17  -3.667  -2.465   7.003
  132   2HG   PRO  17          2HG       PRO  17  -4.812  -3.767   6.553
  133   1HD   PRO  17          1HD       PRO  17  -2.487  -3.430   5.221
  134   2HD   PRO  17          2HD       PRO  17  -3.988  -3.871   4.356
  135    H    THR  18           H        THR  18  -2.197  -0.542   5.885
  136    HA   THR  18           HA       THR  18  -2.908   1.935   7.191
  137    HB   THR  18           HB       THR  18  -0.173   0.717   6.616
  138    HG1  THR  18           1HG      THR  18  -1.187  -0.685   7.897
  139   1HG2  THR  18          1HG2      THR  18   0.537   2.063   8.606
  140   2HG2  THR  18          2HG2      THR  18   0.070   3.078   7.234
  141   3HG2  THR  18          3HG2      THR  18  -1.051   2.868   8.598
  142    H    ALA  19           H        ALA  19  -0.947   1.149   4.235
  143    HA   ALA  19           HA       ALA  19  -0.483   3.865   3.482
  144   1HB   ALA  19          1HB       ALA  19  -0.659   1.286   1.873
  145   2HB   ALA  19          2HB       ALA  19  -0.106   2.833   1.205
  146   3HB   ALA  19          3HB       ALA  19   0.811   2.047   2.517
  147    H    GLU  20           H        GLU  20  -3.023   1.506   2.465
  148    HA   GLU  20           HA       GLU  20  -4.264   3.187   0.582
  149   1HB   GLU  20          1HB       GLU  20  -4.599   0.823   0.616
  150   2HB   GLU  20          2HB       GLU  20  -5.240   0.856   2.255
  151   1HG   GLU  20          1HG       GLU  20  -6.793   2.534   0.357
  152   2HG   GLU  20          2HG       GLU  20  -6.707   0.843  -0.091
  153    H    ARG  21           H        ARG  21  -5.086   2.745   4.098
  154    HA   ARG  21           HA       ARG  21  -7.252   4.616   3.954
  155   1HB   ARG  21          1HB       ARG  21  -5.601   3.531   6.266
  156   2HB   ARG  21          2HB       ARG  21  -6.944   4.627   6.504
  157   1HG   ARG  21          1HG       ARG  21  -7.271   1.955   5.078
  158   2HG   ARG  21          2HG       ARG  21  -7.494   2.213   6.806
  159   1HD   ARG  21          1HD       ARG  21  -9.171   4.056   6.194
  160   2HD   ARG  21          2HD       ARG  21  -9.161   3.396   4.556
  161    HE   ARG  21           HE       ARG  21 -10.257   2.241   7.032
  162   1HH1  ARG  21          1HH2      ARG  21  -9.326   1.467   3.642
  163   2HH1  ARG  21          2HH2      ARG  21 -10.323   0.074   3.569
  164   1HH2  ARG  21          1HH1      ARG  21 -11.610   0.342   6.866
  165   2HH2  ARG  21          2HH1      ARG  21 -11.694  -0.510   5.369
  166    H    LEU  22           H        LEU  22  -3.743   5.066   4.652
  167    HA   LEU  22           HA       LEU  22  -3.989   7.813   5.461
  168   1HB   LEU  22          1HB       LEU  22  -1.754   6.167   4.222
  169   2HB   LEU  22          2HB       LEU  22  -1.561   7.892   4.491
  170    HG   LEU  22           HG       LEU  22  -2.353   6.048   6.774
  171   1HD1  LEU  22          1HD1      LEU  22   0.438   6.769   5.794
  172   2HD1  LEU  22          2HD1      LEU  22   0.083   6.029   7.374
  173   3HD1  LEU  22          3HD1      LEU  22  -0.271   5.157   5.876
  174   1HD2  LEU  22          1HD2      LEU  22  -1.375   7.846   8.148
  175   2HD2  LEU  22          2HD2      LEU  22  -0.967   8.772   6.689
  176   3HD2  LEU  22          3HD2      LEU  22  -2.663   8.492   7.124
  177    H    LEU  23           H        LEU  23  -3.456   6.275   2.247
  178    HA   LEU  23           HA       LEU  23  -3.386   8.706   0.756
  179   1HB   LEU  23          1HB       LEU  23  -4.234   5.887  -0.004
  180   2HB   LEU  23          2HB       LEU  23  -4.097   7.209  -1.160
  181    HG   LEU  23           HG       LEU  23  -1.719   6.409   0.552
  182   1HD1  LEU  23          1HD1      LEU  23  -2.460   4.374  -0.563
  183   2HD1  LEU  23          2HD1      LEU  23  -2.550   5.222  -2.132
  184   3HD1  LEU  23          3HD1      LEU  23  -0.996   4.955  -1.323
  185   1HD2  LEU  23          1HD2      LEU  23  -1.952   7.777  -2.163
  186   2HD2  LEU  23          2HD2      LEU  23  -1.551   8.568  -0.622
  187   3HD2  LEU  23          3HD2      LEU  23  -0.443   7.381  -1.319
  188    H    GLN  24           H        GLN  24  -6.171   6.568   1.661
  189    HA   GLN  24           HA       GLN  24  -8.150   8.068   0.274
  190   1HB   GLN  24          1HB       GLN  24  -8.241   6.293   2.745
  191   2HB   GLN  24          2HB       GLN  24  -9.675   7.085   2.130
  192   1HG   GLN  24          1HG       GLN  24  -7.966   5.117   0.550
  193   2HG   GLN  24          2HG       GLN  24  -9.486   4.747   1.362
  194   1HE2  GLN  24          2HE2      GLN  24 -11.229   6.752   0.671
  195   2HE2  GLN  24          1HE2      GLN  24 -11.334   6.931  -1.071
  196    H    ARG  25           H        ARG  25  -6.791   8.491   3.610
  197    HA   ARG  25           HA       ARG  25  -8.574  10.565   4.327
  198   1HB   ARG  25          1HB       ARG  25  -7.127   9.302   5.902
  199   2HB   ARG  25          2HB       ARG  25  -5.702  10.142   5.272
  200   1HG   ARG  25          1HG       ARG  25  -6.575  12.300   6.046
  201   2HG   ARG  25          2HG       ARG  25  -8.102  11.537   6.544
  202   1HD   ARG  25          1HD       ARG  25  -6.884  10.150   8.174
  203   2HD   ARG  25          2HD       ARG  25  -5.351  10.905   7.697
  204    HE   ARG  25           HE       ARG  25  -6.782  13.080   8.367
  205   1HH1  ARG  25          1HH2      ARG  25  -6.433  10.016  10.113
  206   2HH1  ARG  25          2HH2      ARG  25  -6.459  10.735  11.687
  207   1HH2  ARG  25          1HH1      ARG  25  -6.922  14.032  10.474
  208   2HH2  ARG  25          2HH1      ARG  25  -6.807  13.045  11.881
  209    H    TYR  26           H        TYR  26  -5.332  10.733   2.719
  210    HA   TYR  26           HA       TYR  26  -5.406  13.593   2.494
  211   1HB   TYR  26          1HB       TYR  26  -3.871  11.548   0.847
  212   2HB   TYR  26          2HB       TYR  26  -3.591  13.285   0.854
  213    HD1  TYR  26           HD1      TYR  26  -2.029  10.487   1.872
  214    HD2  TYR  26           HD2      TYR  26  -3.547  14.140   3.606
  215    HE1  TYR  26           HE1      TYR  26  -0.448  10.256   3.770
  216    HE2  TYR  26           HE2      TYR  26  -1.984  13.902   5.497
  217    HH   TYR  26           HH       TYR  26  -0.348  12.582   6.488
  218    H    HIS  27           H        HIS  27  -6.745  11.016   0.470
  219    HA   HIS  27           HA       HIS  27  -7.806  13.033  -1.441
  220   1HB   HIS  27          1HB       HIS  27  -6.144  10.572  -1.978
  221   2HB   HIS  27          2HB       HIS  27  -7.379  11.090  -3.120
  222    HD1  HIS  27           HD1      HIS  27  -7.241  13.699  -3.938
  223    HD2  HIS  27           HD2      HIS  27  -3.823  11.906  -2.256
  224    HE1  HIS  27           HE1      HIS  27  -5.224  15.134  -4.671
  225    HA   PRO  28           HA       PRO  28 -11.291  10.356  -0.054
  226   1HB   PRO  28          1HB       PRO  28 -13.131  12.318   0.412
  227   2HB   PRO  28          2HB       PRO  28 -11.862  11.886   1.598
  228   1HG   PRO  28          1HG       PRO  28 -11.822  14.145  -0.431
  229   2HG   PRO  28          2HG       PRO  28 -11.457  14.229   1.324
  230   1HD   PRO  28          1HD       PRO  28  -9.506  13.991  -0.573
  231   2HD   PRO  28          2HD       PRO  28  -9.356  13.206   1.029
  232    H    GLU  29           H        GLU  29 -10.480  12.338  -2.689
  233    HA   GLU  29           HA       GLU  29 -12.937  11.571  -4.215
  234   1HB   GLU  29          1HB       GLU  29 -12.369  13.681  -5.573
  235   2HB   GLU  29          2HB       GLU  29 -13.161  13.837  -4.022
  236   1HG   GLU  29          1HG       GLU  29 -11.428  15.559  -4.415
  237   2HG   GLU  29          2HG       GLU  29 -11.214  14.649  -2.933
  238    H    LEU  30           H        LEU  30 -10.596  10.005  -3.753
  239    HA   LEU  30           HA       LEU  30  -9.963   9.310  -6.528
  240   1HB   LEU  30          1HB       LEU  30  -8.035  10.711  -5.330
  241   2HB   LEU  30          2HB       LEU  30  -7.806   9.232  -4.394
  242    HG   LEU  30           HG       LEU  30  -7.454   8.022  -6.630
  243   1HD1  LEU  30          1HD1      LEU  30  -8.513   9.671  -8.140
  244   2HD1  LEU  30          2HD1      LEU  30  -7.366  10.918  -7.620
  245   3HD1  LEU  30          3HD1      LEU  30  -6.791   9.514  -8.536
  246   1HD2  LEU  30          1HD2      LEU  30  -5.589   8.679  -5.161
  247   2HD2  LEU  30          2HD2      LEU  30  -5.148   8.849  -6.864
  248   3HD2  LEU  30          3HD2      LEU  30  -5.555  10.293  -5.905
  249    H    LYS  31           H        LYS  31  -9.140   6.890  -6.446
  250    HA   LYS  31           HA       LYS  31 -10.354   5.554  -4.060
  251   1HB   LYS  31          1HB       LYS  31 -11.779   5.281  -6.023
  252   2HB   LYS  31          2HB       LYS  31 -10.405   4.722  -6.982
  253   1HG   LYS  31          1HG       LYS  31 -11.805   2.838  -6.305
  254   2HG   LYS  31          2HG       LYS  31 -10.196   2.705  -5.605
  255   1HD   LYS  31          1HD       LYS  31 -11.113   3.613  -3.433
  256   2HD   LYS  31          2HD       LYS  31 -12.733   3.595  -4.150
  257   1HE   LYS  31          1HE       LYS  31 -12.767   1.230  -4.279
  258   2HE   LYS  31          2HE       LYS  31 -11.003   1.110  -4.226
  259   1HZ   LYS  31          1HZ       LYS  31 -12.671   1.900  -1.916
  260   2HZ   LYS  31          2HZ       LYS  31 -11.986   0.422  -2.159
  261   3HZ   LYS  31          3HZ       LYS  31 -11.022   1.728  -1.934
  262    H    VAL  32           H        VAL  32  -9.101   4.285  -2.940
  263    HA   VAL  32           HA       VAL  32  -6.889   2.858  -4.281
  264    HB   VAL  32           HB       VAL  32  -6.747   3.962  -1.452
  265   1HG1  VAL  32          1HG1      VAL  32  -4.633   2.808  -3.330
  266   2HG1  VAL  32          2HG1      VAL  32  -4.319   3.482  -1.722
  267   3HG1  VAL  32          3HG1      VAL  32  -5.286   2.021  -1.880
  268   1HG2  VAL  32          1HG2      VAL  32  -6.740   5.941  -2.818
  269   2HG2  VAL  32          2HG2      VAL  32  -5.072   5.603  -2.374
  270   3HG2  VAL  32          3HG2      VAL  32  -5.636   5.205  -3.999
  271    H    GLU  33           H        GLU  33  -6.624   0.690  -3.498
  272    HA   GLU  33           HA       GLU  33  -8.464  -0.218  -1.343
  273   1HB   GLU  33          1HB       GLU  33  -9.412  -0.546  -3.728
  274   2HB   GLU  33          2HB       GLU  33  -8.111  -1.703  -3.981
  275   1HG   GLU  33          1HG       GLU  33 -10.191  -2.835  -3.392
  276   2HG   GLU  33          2HG       GLU  33  -9.007  -3.095  -2.128
  277    H    SER  34           H        SER  34  -7.757  -2.499  -0.613
  278    HA   SER  34           HA       SER  34  -4.774  -2.636  -0.626
  279   1HB   SER  34          1HB       SER  34  -5.189  -3.223   1.852
  280   2HB   SER  34          2HB       SER  34  -5.389  -1.540   1.350
  281    HG   SER  34           HG       SER  34  -7.412  -1.591   1.837
  282    H    ALA  35           H        ALA  35  -3.891  -4.598  -1.014
  283    HA   ALA  35           HA       ALA  35  -5.405  -7.101  -0.552
  284   1HB   ALA  35          1HB       ALA  35  -6.035  -6.411  -2.833
  285   2HB   ALA  35          2HB       ALA  35  -4.319  -6.198  -3.263
  286   3HB   ALA  35          3HB       ALA  35  -4.964  -7.811  -2.909
  287    H    GLY  36           H        GLY  36  -3.716  -8.959  -1.448
  288   1HA   GLY  36          1HA       GLY  36  -0.946  -8.095  -0.923
  289   2HA   GLY  36          2HA       GLY  36  -1.669  -9.252   0.184
  290    H    LEU  37           H        LEU  37   0.718  -9.485  -1.287
  291    HA   LEU  37           HA       LEU  37   0.357 -11.249  -3.570
  292   1HB   LEU  37          1HB       LEU  37   2.235  -9.686  -3.310
  293   2HB   LEU  37          2HB       LEU  37   2.792 -10.532  -1.884
  294    HG   LEU  37           HG       LEU  37   4.007 -10.851  -4.102
  295   1HD1  LEU  37          1HD1      LEU  37   4.602 -13.172  -3.686
  296   2HD1  LEU  37          2HD1      LEU  37   4.511 -12.241  -2.182
  297   3HD1  LEU  37          3HD1      LEU  37   3.222 -13.380  -2.614
  298   1HD2  LEU  37          1HD2      LEU  37   2.019 -11.248  -5.535
  299   2HD2  LEU  37          2HD2      LEU  37   3.261 -12.495  -5.685
  300   3HD2  LEU  37          3HD2      LEU  37   1.794 -12.827  -4.759
  301    H    GLY  38           H        GLY  38   0.709 -11.587  -0.093
  302   1HA   GLY  38          1HA       GLY  38   0.154 -14.503  -0.331
  303   2HA   GLY  38          2HA       GLY  38   1.468 -13.939   0.732
  304    H    ALA  39           H        ALA  39  -1.910 -13.024  -0.126
  305    HA   ALA  39           HA       ALA  39  -2.304 -11.628   2.356
  306   1HB   ALA  39          1HB       ALA  39  -4.325 -12.535   0.261
  307   2HB   ALA  39          2HB       ALA  39  -4.564 -11.244   1.452
  308   3HB   ALA  39          3HB       ALA  39  -3.379 -11.031   0.158
  309    H    LEU  40           H        LEU  40  -4.220 -11.990   3.708
  310    HA   LEU  40           HA       LEU  40  -4.712 -14.879   4.341
  311   1HB   LEU  40          1HB       LEU  40  -4.674 -12.388   6.107
  312   2HB   LEU  40          2HB       LEU  40  -5.115 -14.005   6.652
  313    HG   LEU  40           HG       LEU  40  -2.364 -13.238   5.567
  314   1HD1  LEU  40          1HD1      LEU  40  -2.843 -12.076   7.662
  315   2HD1  LEU  40          2HD1      LEU  40  -3.302 -13.608   8.440
  316   3HD1  LEU  40          3HD1      LEU  40  -1.626 -13.333   7.910
  317   1HD2  LEU  40          1HD2      LEU  40  -3.334 -15.771   6.967
  318   2HD2  LEU  40          2HD2      LEU  40  -2.810 -15.634   5.273
  319   3HD2  LEU  40          3HD2      LEU  40  -1.643 -15.391   6.573
  320    H    VAL  41           H        VAL  41  -6.260 -14.581   2.502
  321    HA   VAL  41           HA       VAL  41  -8.046 -12.603   2.121
  322    HB   VAL  41           HB       VAL  41  -8.762 -15.530   1.717
  323   1HG1  VAL  41          1HG1      VAL  41  -9.959 -14.658  -0.274
  324   2HG1  VAL  41          2HG1      VAL  41 -10.597 -13.950   1.210
  325   3HG1  VAL  41          3HG1      VAL  41  -9.514 -12.997   0.175
  326   1HG2  VAL  41          1HG2      VAL  41  -6.543 -15.292   0.795
  327   2HG2  VAL  41          2HG2      VAL  41  -7.670 -15.205  -0.552
  328   3HG2  VAL  41          3HG2      VAL  41  -6.946 -13.711   0.089
  329    H    GLY  42           H        GLY  42  -9.710 -11.667   3.111
  330   1HA   GLY  42          1HA       GLY  42 -11.741 -11.555   4.190
  331   2HA   GLY  42          2HA       GLY  42 -11.588 -13.231   4.716
  332    H    LYS  43           H        LYS  43  -8.685 -12.224   5.826
  333    HA   LYS  43           HA       LYS  43  -9.660 -11.779   8.522
  334   1HB   LYS  43          1HB       LYS  43  -6.923 -11.662   7.217
  335   2HB   LYS  43          2HB       LYS  43  -7.154 -10.983   8.811
  336   1HG   LYS  43          1HG       LYS  43  -6.302 -13.305   8.855
  337   2HG   LYS  43          2HG       LYS  43  -7.768 -13.025   9.800
  338   1HD   LYS  43          1HD       LYS  43  -9.152 -14.096   8.101
  339   2HD   LYS  43          2HD       LYS  43  -7.770 -14.221   7.010
  340   1HE   LYS  43          1HE       LYS  43  -8.129 -16.387   7.966
  341   2HE   LYS  43          2HE       LYS  43  -6.626 -15.738   8.623
  342   1HZ   LYS  43          1HZ       LYS  43  -7.999 -16.770  10.326
  343   2HZ   LYS  43          2HZ       LYS  43  -7.839 -15.186  10.658
  344   3HZ   LYS  43          3HZ       LYS  43  -9.239 -15.759  10.031
  345    H    GLY  44           H        GLY  44  -9.572  -9.949   9.786
  346   1HA   GLY  44          1HA       GLY  44 -10.037  -7.392   8.488
  347   2HA   GLY  44          2HA       GLY  44  -9.956  -7.716  10.223
  348    H    ALA  45           H        ALA  45  -8.760  -5.526   9.769
  349    HA   ALA  45           HA       ALA  45  -5.973  -5.682   8.929
  350   1HB   ALA  45          1HB       ALA  45  -7.095  -3.546   8.735
  351   2HB   ALA  45          2HB       ALA  45  -7.569  -3.568  10.439
  352   3HB   ALA  45          3HB       ALA  45  -5.856  -3.406   9.991
  353    H    ASP  46           H        ASP  46  -4.161  -5.486  10.375
  354    HA   ASP  46           HA       ASP  46  -4.295  -7.277  12.621
  355   1HB   ASP  46          1HB       ASP  46  -2.307  -7.003  11.192
  356   2HB   ASP  46          2HB       ASP  46  -2.110  -5.341  11.754
  357    HA   PRO  47           HA       PRO  47  -5.717  -4.281  15.567
  358   1HB   PRO  47          1HB       PRO  47  -4.878  -5.357  17.978
  359   2HB   PRO  47          2HB       PRO  47  -6.283  -5.925  17.027
  360   1HG   PRO  47          1HG       PRO  47  -3.464  -7.037  17.037
  361   2HG   PRO  47          2HG       PRO  47  -5.013  -7.936  17.148
  362   1HD   PRO  47          1HD       PRO  47  -3.700  -7.714  14.801
  363   2HD   PRO  47          2HD       PRO  47  -5.482  -7.578  14.844
  364    H    THR  48           H        THR  48  -2.250  -5.019  15.393
  365    HA   THR  48           HA       THR  48  -1.480  -2.840  17.183
  366    HB   THR  48           HB       THR  48   0.390  -3.903  15.089
  367    HG1  THR  48           1HG      THR  48  -0.561  -5.736  15.553
  368   1HG2  THR  48          1HG2      THR  48   1.971  -3.933  16.986
  369   2HG2  THR  48          2HG2      THR  48   1.197  -2.347  16.819
  370   3HG2  THR  48          3HG2      THR  48   0.664  -3.463  18.096
  371    H    ALA  49           H        ALA  49  -1.811  -3.430  13.648
  372    HA   ALA  49           HA       ALA  49  -0.933  -0.837  12.817
  373   1HB   ALA  49          1HB       ALA  49  -1.958  -1.463  10.680
  374   2HB   ALA  49          2HB       ALA  49  -1.065  -2.841  11.346
  375   3HB   ALA  49          3HB       ALA  49  -2.834  -2.803  11.458
  376    H    ILE  50           H        ILE  50  -4.194  -2.198  13.560
  377    HA   ILE  50           HA       ILE  50  -5.705   0.156  13.100
  378    HB   ILE  50           HB       ILE  50  -6.083  -2.098  15.090
  379   1HG1  ILE  50          1HG1      ILE  50  -7.600  -1.536  12.504
  380   2HG1  ILE  50          2HG1      ILE  50  -6.201  -2.601  12.567
  381   1HG2  ILE  50          1HG2      ILE  50  -8.450  -1.360  15.338
  382   2HG2  ILE  50          2HG2      ILE  50  -7.342  -0.145  15.928
  383   3HG2  ILE  50          3HG2      ILE  50  -8.102   0.065  14.337
  384   1HD1  ILE  50          1HD1      ILE  50  -8.861  -3.044  13.987
  385   2HD1  ILE  50          2HD1      ILE  50  -8.214  -3.935  12.614
  386   3HD1  ILE  50          3HD1      ILE  50  -7.421  -4.070  14.189
  387    H    SER  51           H        SER  51  -4.024  -0.933  16.143
  388    HA   SER  51           HA       SER  51  -4.868   1.267  17.692
  389   1HB   SER  51          1HB       SER  51  -2.298  -0.355  17.942
  390   2HB   SER  51          2HB       SER  51  -3.018   0.669  19.196
  391    HG   SER  51           HG       SER  51  -4.075  -1.705  18.036
  392    H    VAL  52           H        VAL  52  -1.842   0.896  15.735
  393    HA   VAL  52           HA       VAL  52  -0.821   3.460  16.441
  394    HB   VAL  52           HB       VAL  52  -0.269   1.609  14.090
  395   1HG1  VAL  52          1HG1      VAL  52   1.868   2.855  13.821
  396   2HG1  VAL  52          2HG1      VAL  52   0.463   3.854  13.430
  397   3HG1  VAL  52          3HG1      VAL  52   1.297   4.075  14.981
  398   1HG2  VAL  52          1HG2      VAL  52   1.303   2.182  16.655
  399   2HG2  VAL  52          2HG2      VAL  52   0.339   0.728  16.371
  400   3HG2  VAL  52          3HG2      VAL  52   1.763   1.038  15.379
  401    H    ALA  53           H        ALA  53  -3.159   2.488  13.852
  402    HA   ALA  53           HA       ALA  53  -3.119   5.145  12.664
  403   1HB   ALA  53          1HB       ALA  53  -5.216   2.961  12.461
  404   2HB   ALA  53          2HB       ALA  53  -5.026   4.379  11.405
  405   3HB   ALA  53          3HB       ALA  53  -3.779   3.121  11.412
  406    H    ALA  54           H        ALA  54  -5.120   3.488  15.155
  407    HA   ALA  54           HA       ALA  54  -7.075   5.524  15.418
  408   1HB   ALA  54          1HB       ALA  54  -7.350   3.230  16.305
  409   2HB   ALA  54          2HB       ALA  54  -6.061   3.529  17.496
  410   3HB   ALA  54          3HB       ALA  54  -7.578   4.446  17.578
  411    H    GLU  55           H        GLU  55  -3.795   5.190  16.828
  412    HA   GLU  55           HA       GLU  55  -3.881   7.245  18.678
  413   1HB   GLU  55          1HB       GLU  55  -2.010   5.606  18.098
  414   2HB   GLU  55          2HB       GLU  55  -1.533   6.731  16.818
  415   1HG   GLU  55          1HG       GLU  55  -1.130   8.495  18.490
  416   2HG   GLU  55          2HG       GLU  55  -1.738   7.446  19.774
  417    H    HIS  56           H        HIS  56  -4.203   7.614  15.200
  418    HA   HIS  56           HA       HIS  56  -4.336  10.543  15.626
  419   1HB   HIS  56          1HB       HIS  56  -3.258  11.079  13.701
  420   2HB   HIS  56          2HB       HIS  56  -2.267   9.790  14.374
  421    HD1  HIS  56           HD1      HIS  56  -3.787  10.830  11.195
  422    HD2  HIS  56           HD2      HIS  56  -2.615   7.275  13.102
  423    HE1  HIS  56           HE1      HIS  56  -3.496   9.094   9.354
  424    H    GLN  57           H        GLN  57  -6.329   8.294  15.691
  425    HA   GLN  57           HA       GLN  57  -8.474   7.953  15.120
  426   1HB   GLN  57          1HB       GLN  57  -8.468  10.915  14.403
  427   2HB   GLN  57          2HB       GLN  57  -9.874   9.945  14.825
  428   1HG   GLN  57          1HG       GLN  57  -7.564  10.540  16.737
  429   2HG   GLN  57          2HG       GLN  57  -9.062  11.444  16.644
  430   1HE2  GLN  57          2HE2      GLN  57  -7.639   8.302  17.637
  431   2HE2  GLN  57          1HE2      GLN  57  -9.034   7.804  18.555
  432    H    LEU  58           H        LEU  58  -6.706   7.144  13.142
  433    HA   LEU  58           HA       LEU  58  -8.459   7.437  10.731
  434   1HB   LEU  58          1HB       LEU  58  -6.124   8.067  10.261
  435   2HB   LEU  58          2HB       LEU  58  -5.555   6.552  10.950
  436    HG   LEU  58           HG       LEU  58  -6.605   5.273   9.145
  437   1HD1  LEU  58          1HD1      LEU  58  -7.707   7.980   8.276
  438   2HD1  LEU  58          2HD1      LEU  58  -7.552   6.634   7.147
  439   3HD1  LEU  58          3HD1      LEU  58  -8.594   6.465   8.553
  440   1HD2  LEU  58          1HD2      LEU  58  -5.169   6.002   7.334
  441   2HD2  LEU  58          2HD2      LEU  58  -5.045   7.635   8.017
  442   3HD2  LEU  58          3HD2      LEU  58  -4.324   6.244   8.859
  443    H    SER  59           H        SER  59  -9.434   5.500  10.069
  444    HA   SER  59           HA       SER  59  -9.240   3.322  12.075
  445   1HB   SER  59          1HB       SER  59 -11.588   4.185  10.351
  446   2HB   SER  59          2HB       SER  59 -11.597   2.961  11.635
  447    HG   SER  59           HG       SER  59 -12.354   5.013  12.351
  448    H    LEU  60           H        LEU  60  -7.971   1.708  11.210
  449    HA   LEU  60           HA       LEU  60  -8.217   0.912   8.385
  450   1HB   LEU  60          1HB       LEU  60  -6.913  -0.732  10.556
  451   2HB   LEU  60          2HB       LEU  60  -6.647  -0.787   8.827
  452    HG   LEU  60           HG       LEU  60  -5.677   1.290  10.807
  453   1HD1  LEU  60          1HD1      LEU  60  -4.457  -0.870  10.609
  454   2HD1  LEU  60          2HD1      LEU  60  -4.180  -0.544   8.888
  455   3HD1  LEU  60          3HD1      LEU  60  -3.474   0.522  10.119
  456   1HD2  LEU  60          1HD2      LEU  60  -6.270   2.568   8.810
  457   2HD2  LEU  60          2HD2      LEU  60  -4.518   2.418   8.920
  458   3HD2  LEU  60          3HD2      LEU  60  -5.417   1.396   7.777
  459    H    GLU  61           H        GLU  61 -10.467   0.818  10.624
  460    HA   GLU  61           HA       GLU  61 -11.109  -2.000  10.927
  461   1HB   GLU  61          1HB       GLU  61 -11.787  -0.230  12.546
  462   2HB   GLU  61          2HB       GLU  61 -12.797   0.521  11.304
  463   1HG   GLU  61          1HG       GLU  61 -14.198  -1.516  11.195
  464   2HG   GLU  61          2HG       GLU  61 -13.141  -2.324  12.355
  465    H    GLY  62           H        GLY  62 -12.656  -3.158   9.691
  466   1HA   GLY  62          1HA       GLY  62 -14.170  -3.528   7.998
  467   2HA   GLY  62          2HA       GLY  62 -14.032  -1.846   7.464
  468    H    HIS  63           H        HIS  63 -10.862  -2.782   7.606
  469    HA   HIS  63           HA       HIS  63 -10.534  -3.294   4.781
  470   1HB   HIS  63          1HB       HIS  63  -8.658  -2.379   5.998
  471   2HB   HIS  63          2HB       HIS  63  -8.769  -3.644   7.228
  472    HD1  HIS  63           HD1      HIS  63  -7.828  -3.431   3.424
  473    HD2  HIS  63           HD2      HIS  63  -7.360  -5.816   6.875
  474    HE1  HIS  63           HE1      HIS  63  -6.390  -5.383   2.763
  475    H    CYS  64           H        CYS  64 -10.444  -5.258   3.750
  476    HA   CYS  64           HA       CYS  64 -10.465  -7.756   5.365
  477   1HB   CYS  64          1HB       CYS  64 -12.137  -7.103   2.903
  478   2HB   CYS  64          2HB       CYS  64 -11.953  -8.725   3.599
  479    HG   CYS  64           HG       CYS  64 -13.121  -5.980   5.051
  480    H    ALA  65           H        ALA  65  -8.652  -8.886   4.820
  481    HA   ALA  65           HA       ALA  65  -6.920  -8.057   2.724
  482   1HB   ALA  65          1HB       ALA  65  -5.958  -9.114   4.593
  483   2HB   ALA  65          2HB       ALA  65  -7.079 -10.483   4.518
  484   3HB   ALA  65          3HB       ALA  65  -5.799 -10.312   3.294
  485    H    ARG  66           H        ARG  66  -6.218  -9.260   0.854
  486    HA   ARG  66           HA       ARG  66  -8.259 -10.957  -0.503
  487   1HB   ARG  66          1HB       ARG  66  -7.490  -8.090  -1.239
  488   2HB   ARG  66          2HB       ARG  66  -8.102  -9.221  -2.447
  489   1HG   ARG  66          1HG       ARG  66 -10.198  -9.446  -1.380
  490   2HG   ARG  66          2HG       ARG  66  -9.652  -8.641   0.093
  491   1HD   ARG  66          1HD       ARG  66  -9.773  -7.191  -2.564
  492   2HD   ARG  66          2HD       ARG  66 -11.137  -7.290  -1.440
  493    HE   ARG  66           HE       ARG  66  -8.498  -6.271  -0.482
  494   1HH1  ARG  66          1HH1      ARG  66 -11.917  -5.523  -1.166
  495   2HH1  ARG  66          2HH1      ARG  66 -11.880  -4.045  -0.270
  496   1HH2  ARG  66          1HH2      ARG  66  -8.478  -4.362   0.654
  497   2HH2  ARG  66          2HH2      ARG  66  -9.819  -3.249   0.526
  498    H    GLN  67           H        GLN  67  -7.073 -12.442  -1.689
  499    HA   GLN  67           HA       GLN  67  -4.202 -12.121  -2.032
  500   1HB   GLN  67          1HB       GLN  67  -5.253 -14.322  -1.612
  501   2HB   GLN  67          2HB       GLN  67  -6.203 -14.172  -3.091
  502   1HG   GLN  67          1HG       GLN  67  -4.274 -15.685  -3.350
  503   2HG   GLN  67          2HG       GLN  67  -4.212 -14.326  -4.454
  504   1HE2  GLN  67          2HE2      GLN  67  -1.943 -14.346  -4.767
  505   2HE2  GLN  67          1HE2      GLN  67  -0.803 -14.025  -3.461
  506    H    ILE  68           H        ILE  68  -3.156 -11.211  -3.639
  507    HA   ILE  68           HA       ILE  68  -4.487  -9.803  -5.693
  508    HB   ILE  68           HB       ILE  68  -2.189  -9.348  -4.760
  509   1HG1  ILE  68          1HG1      ILE  68  -1.098  -8.656  -6.870
  510   2HG1  ILE  68          2HG1      ILE  68  -2.286  -9.575  -7.795
  511   1HG2  ILE  68          1HG2      ILE  68  -1.324 -11.703  -4.868
  512   2HG2  ILE  68          2HG2      ILE  68  -1.208 -11.545  -6.629
  513   3HG2  ILE  68          3HG2      ILE  68  -0.240 -10.493  -5.588
  514   1HD1  ILE  68          1HD1      ILE  68  -2.763  -7.109  -7.633
  515   2HD1  ILE  68          2HD1      ILE  68  -4.078  -8.109  -7.000
  516   3HD1  ILE  68          3HD1      ILE  68  -2.962  -7.302  -5.878
  517    H    SER  69           H        SER  69  -4.795 -10.274  -7.853
  518    HA   SER  69           HA       SER  69  -4.063 -12.932  -8.901
  519   1HB   SER  69          1HB       SER  69  -6.320 -13.366  -9.663
  520   2HB   SER  69          2HB       SER  69  -6.395 -13.034  -7.917
  521    HG   SER  69           HG       SER  69  -8.004 -11.902  -8.999
  522    H    ARG  70           H        ARG  70  -4.291 -12.853 -11.387
  523    HA   ARG  70           HA       ARG  70  -3.228 -10.393 -12.401
  524   1HB   ARG  70          1HB       ARG  70  -2.850 -12.622 -13.413
  525   2HB   ARG  70          2HB       ARG  70  -4.540 -12.684 -13.937
  526   1HG   ARG  70          1HG       ARG  70  -4.214 -10.808 -15.445
  527   2HG   ARG  70          2HG       ARG  70  -2.610 -10.469 -14.767
  528   1HD   ARG  70          1HD       ARG  70  -1.774 -12.631 -15.580
  529   2HD   ARG  70          2HD       ARG  70  -3.372 -13.019 -16.248
  530    HE   ARG  70           HE       ARG  70  -2.827 -10.635 -17.459
  531   1HH1  ARG  70          1HH2      ARG  70  -0.917 -13.638 -17.254
  532   2HH1  ARG  70          2HH2      ARG  70  -0.173 -13.402 -18.793
  533   1HH2  ARG  70          1HH1      ARG  70  -1.951 -10.356 -19.386
  534   2HH2  ARG  70          2HH1      ARG  70  -0.761 -11.442 -20.080
  535    H    ARG  71           H        ARG  71  -6.579 -11.649 -12.167
  536    HA   ARG  71           HA       ARG  71  -7.815  -9.575 -13.695
  537   1HB   ARG  71          1HB       ARG  71  -8.868 -11.198 -11.329
  538   2HB   ARG  71          2HB       ARG  71  -9.849 -10.126 -12.337
  539   1HG   ARG  71          1HG       ARG  71  -9.301 -11.482 -14.342
  540   2HG   ARG  71          2HG       ARG  71  -8.346 -12.588 -13.333
  541   1HD   ARG  71          1HD       ARG  71 -10.365 -13.114 -11.997
  542   2HD   ARG  71          2HD       ARG  71 -11.322 -12.017 -13.015
  543    HE   ARG  71           HE       ARG  71 -10.015 -13.893 -14.691
  544   1HH1  ARG  71          1HH2      ARG  71 -12.613 -13.833 -12.272
  545   2HH1  ARG  71          2HH2      ARG  71 -13.462 -15.177 -12.938
  546   1HH2  ARG  71          1HH1      ARG  71 -11.144 -15.688 -15.583
  547   2HH2  ARG  71          2HH1      ARG  71 -12.603 -16.253 -14.864
  548    H    LEU  72           H        LEU  72  -7.081  -9.749 -10.122
  549    HA   LEU  72           HA       LEU  72  -8.036  -7.118  -9.609
  550   1HB   LEU  72          1HB       LEU  72  -6.191  -9.016  -8.186
  551   2HB   LEU  72          2HB       LEU  72  -5.991  -7.291  -7.855
  552    HG   LEU  72           HG       LEU  72  -8.387  -7.083  -7.361
  553   1HD1  LEU  72          1HD1      LEU  72  -8.411 -10.129  -7.330
  554   2HD1  LEU  72          2HD1      LEU  72  -9.729  -9.064  -6.805
  555   3HD1  LEU  72          3HD1      LEU  72  -9.261  -9.105  -8.509
  556   1HD2  LEU  72          1HD2      LEU  72  -6.859  -9.071  -5.619
  557   2HD2  LEU  72          2HD2      LEU  72  -6.697  -7.301  -5.571
  558   3HD2  LEU  72          3HD2      LEU  72  -8.220  -8.059  -5.094
  559    H    CYS  73           H        CYS  73  -4.730  -8.242 -10.611
  560    HA   CYS  73           HA       CYS  73  -3.558  -5.703 -10.443
  561   1HB   CYS  73          1HB       CYS  73  -2.956  -7.903 -12.481
  562   2HB   CYS  73          2HB       CYS  73  -1.922  -6.506 -12.144
  563    HG   CYS  73           HG       CYS  73  -2.882  -8.895 -10.059
  564    H    ARG  74           H        ARG  74  -5.399  -7.132 -13.217
  565    HA   ARG  74           HA       ARG  74  -4.996  -4.903 -14.958
  566   1HB   ARG  74          1HB       ARG  74  -5.731  -7.239 -15.550
  567   2HB   ARG  74          2HB       ARG  74  -7.317  -6.885 -14.853
  568   1HG   ARG  74          1HG       ARG  74  -7.640  -5.075 -16.535
  569   2HG   ARG  74          2HG       ARG  74  -6.046  -5.428 -17.223
  570   1HD   ARG  74          1HD       ARG  74  -8.385  -7.376 -17.050
  571   2HD   ARG  74          2HD       ARG  74  -7.950  -6.445 -18.489
  572    HE   ARG  74           HE       ARG  74  -5.664  -7.609 -18.288
  573   1HH1  ARG  74          1HH2      ARG  74  -8.777  -9.207 -17.614
  574   2HH1  ARG  74          2HH2      ARG  74  -8.183 -10.791 -17.947
  575   1HH2  ARG  74          1HH1      ARG  74  -4.868  -9.674 -18.659
  576   2HH2  ARG  74          2HH1      ARG  74  -5.915 -11.064 -18.603
  577    H    ASN  75           H        ASN  75  -7.250  -5.388 -12.264
  578    HA   ASN  75           HA       ASN  75  -9.262  -3.620 -13.201
  579   1HB   ASN  75          1HB       ASN  75  -9.648  -5.463 -11.594
  580   2HB   ASN  75          2HB       ASN  75  -8.707  -4.601 -10.377
  581   1HD2  ASN  75          2HD2      ASN  75  -9.845  -3.186  -9.032
  582   2HD2  ASN  75          1HD2      ASN  75 -11.483  -2.657  -9.343
  583    H    TYR  76           H        TYR  76  -6.233  -2.857 -11.578
  584    HA   TYR  76           HA       TYR  76  -7.311  -0.136 -10.935
  585   1HB   TYR  76          1HB       TYR  76  -5.148  -1.537  -9.360
  586   2HB   TYR  76          2HB       TYR  76  -5.861   0.038  -9.045
  587    HD1  TYR  76           HD1      TYR  76  -6.556  -3.602  -9.063
  588    HD2  TYR  76           HD2      TYR  76  -7.774   0.235  -7.617
  589    HE1  TYR  76           HE1      TYR  76  -8.248  -4.708  -7.626
  590    HE2  TYR  76           HE2      TYR  76  -9.500  -0.814  -6.209
  591    HH   TYR  76           HH       TYR  76 -10.528  -2.837  -5.575
  592    H    ASP  77           H        ASP  77  -5.822   1.621 -11.243
  593    HA   ASP  77           HA       ASP  77  -4.428   1.146 -13.766
  594   1HB   ASP  77          1HB       ASP  77  -6.037   3.027 -13.365
  595   2HB   ASP  77          2HB       ASP  77  -4.868   3.739 -12.246
  596    H    LEU  78           H        LEU  78  -3.488   1.507 -10.444
  597    HA   LEU  78           HA       LEU  78  -0.669   1.198 -11.225
  598   1HB   LEU  78          1HB       LEU  78  -1.678   3.258  -9.212
  599   2HB   LEU  78          2HB       LEU  78  -0.061   2.576  -9.148
  600    HG   LEU  78           HG       LEU  78  -1.170   4.300 -11.379
  601   1HD1  LEU  78          1HD1      LEU  78   1.030   4.715  -9.296
  602   2HD1  LEU  78          2HD1      LEU  78   0.596   5.862 -10.577
  603   3HD1  LEU  78          3HD1      LEU  78  -0.568   5.486  -9.299
  604   1HD2  LEU  78          1HD2      LEU  78   1.509   2.868 -11.145
  605   2HD2  LEU  78          2HD2      LEU  78   0.323   2.727 -12.454
  606   3HD2  LEU  78          3HD2      LEU  78   1.202   4.235 -12.253
  607    H    ILE  79           H        ILE  79   0.451  -0.087  -9.785
  608    HA   ILE  79           HA       ILE  79  -1.151  -1.306  -7.582
  609    HB   ILE  79           HB       ILE  79   0.831  -2.803  -9.329
  610   1HG1  ILE  79          1HG1      ILE  79  -1.053  -2.226 -10.800
  611   2HG1  ILE  79          2HG1      ILE  79  -0.949  -3.943 -10.476
  612   1HG2  ILE  79          1HG2      ILE  79  -1.245  -3.696  -7.281
  613   2HG2  ILE  79          2HG2      ILE  79  -0.236  -4.785  -8.256
  614   3HG2  ILE  79          3HG2      ILE  79   0.511  -3.694  -7.072
  615   1HD1  ILE  79          1HD1      ILE  79  -2.861  -3.881  -8.993
  616   2HD1  ILE  79          2HD1      ILE  79  -2.885  -2.106  -9.009
  617   3HD1  ILE  79          3HD1      ILE  79  -3.284  -3.004 -10.470
  618    H    LEU  80           H        LEU  80  -0.261  -0.297  -5.892
  619    HA   LEU  80           HA       LEU  80   2.601   0.418  -5.796
  620   1HB   LEU  80          1HB       LEU  80   0.157   0.837  -4.057
  621   2HB   LEU  80          2HB       LEU  80   1.758   1.050  -3.374
  622    HG   LEU  80           HG       LEU  80   2.278   2.905  -4.672
  623   1HD1  LEU  80          1HD1      LEU  80   0.896   3.809  -6.538
  624   2HD1  LEU  80          2HD1      LEU  80   1.656   2.266  -6.930
  625   3HD1  LEU  80          3HD1      LEU  80  -0.070   2.316  -6.514
  626   1HD2  LEU  80          1HD2      LEU  80   0.503   3.228  -2.911
  627   2HD2  LEU  80          2HD2      LEU  80   0.449   4.455  -4.197
  628   3HD2  LEU  80          3HD2      LEU  80  -0.722   3.115  -4.167
  629    H    THR  81           H        THR  81   4.093  -0.669  -4.529
  630    HA   THR  81           HA       THR  81   3.153  -2.656  -2.608
  631    HB   THR  81           HB       THR  81   3.297  -3.887  -4.749
  632    HG1  THR  81           1HG      THR  81   3.573  -4.906  -2.817
  633   1HG2  THR  81          1HG2      THR  81   6.288  -3.334  -4.601
  634   2HG2  THR  81          2HG2      THR  81   5.463  -4.443  -5.721
  635   3HG2  THR  81          3HG2      THR  81   5.176  -2.699  -5.836
  636    H    MET  82           H        MET  82   5.406  -3.568  -1.468
  637    HA   MET  82           HA       MET  82   6.586  -0.961  -0.658
  638   1HB   MET  82          1HB       MET  82   6.108  -3.521   0.897
  639   2HB   MET  82          2HB       MET  82   6.721  -2.010   1.553
  640   1HG   MET  82          1HG       MET  82   3.962  -2.562   0.441
  641   2HG   MET  82          2HG       MET  82   4.392  -2.158   2.102
  642   1HE   MET  82          1HE       MET  82   2.003  -0.862   0.817
  643   2HE   MET  82          2HE       MET  82   2.588  -0.198   2.360
  644   3HE   MET  82          3HE       MET  82   2.228   0.899   1.009
  645    H    GLU  83           H        GLU  83   7.689  -4.003  -2.007
  646    HA   GLU  83           HA       GLU  83  10.438  -3.148  -1.472
  647   1HB   GLU  83          1HB       GLU  83  11.086  -5.305  -0.428
  648   2HB   GLU  83          2HB       GLU  83   9.996  -4.331   0.545
  649   1HG   GLU  83          1HG       GLU  83   8.082  -5.797  -0.355
  650   2HG   GLU  83          2HG       GLU  83   9.342  -6.871  -0.970
  651    H    LYS  84           H        LYS  84  12.064  -4.392  -2.652
  652    HA   LYS  84           HA       LYS  84  11.340  -4.340  -5.363
  653   1HB   LYS  84          1HB       LYS  84  13.764  -5.527  -3.941
  654   2HB   LYS  84          2HB       LYS  84  13.568  -5.588  -5.682
  655   1HG   LYS  84          1HG       LYS  84  14.978  -3.801  -5.268
  656   2HG   LYS  84          2HG       LYS  84  13.447  -3.108  -5.788
  657   1HD   LYS  84          1HD       LYS  84  12.968  -2.275  -3.579
  658   2HD   LYS  84          2HD       LYS  84  14.240  -3.295  -2.846
  659   1HE   LYS  84          1HE       LYS  84  15.974  -2.091  -4.097
  660   2HE   LYS  84          2HE       LYS  84  14.762  -1.071  -4.874
  661   1HZ   LYS  84          1HZ       LYS  84  14.355   0.031  -2.829
  662   2HZ   LYS  84          2HZ       LYS  84  15.140  -1.093  -1.917
  663   3HZ   LYS  84          3HZ       LYS  84  15.958  -0.102  -2.922
  664    H    ARG  85           H        ARG  85  11.827  -7.283  -3.302
  665    HA   ARG  85           HA       ARG  85  11.386  -9.078  -5.447
  666   1HB   ARG  85          1HB       ARG  85  11.005 -10.804  -3.747
  667   2HB   ARG  85          2HB       ARG  85  12.442  -9.837  -3.417
  668   1HG   ARG  85          1HG       ARG  85  11.203  -8.545  -1.706
  669   2HG   ARG  85          2HG       ARG  85   9.739  -9.486  -2.043
  670   1HD   ARG  85          1HD       ARG  85  10.829 -11.539  -1.285
  671   2HD   ARG  85          2HD       ARG  85  12.360 -10.663  -1.035
  672    HE   ARG  85           HE       ARG  85  10.471  -9.228   0.413
  673   1HH1  ARG  85          1HH2      ARG  85  11.738 -12.552   0.652
  674   2HH1  ARG  85          2HH2      ARG  85  11.410 -12.658   2.343
  675   1HH2  ARG  85          1HH1      ARG  85  10.086  -9.325   2.451
  676   2HH2  ARG  85          2HH1      ARG  85  10.422 -10.728   3.456
  677    H    HIS  86           H        HIS  86   8.998  -7.206  -3.599
  678    HA   HIS  86           HA       HIS  86   6.771  -8.949  -4.388
  679   1HB   HIS  86          1HB       HIS  86   6.768  -6.053  -3.456
  680   2HB   HIS  86          2HB       HIS  86   5.358  -7.048  -3.791
  681    HD1  HIS  86           HD1      HIS  86   7.585  -9.255  -1.878
  682    HD2  HIS  86           HD2      HIS  86   4.958  -6.060  -1.144
  683    HE1  HIS  86           HE1      HIS  86   7.030  -9.334   0.605
  684    H    ILE  87           H        ILE  87   8.390  -5.945  -5.628
  685    HA   ILE  87           HA       ILE  87   6.590  -5.466  -7.751
  686    HB   ILE  87           HB       ILE  87   9.601  -4.976  -7.708
  687   1HG1  ILE  87          1HG1      ILE  87   7.327  -3.069  -7.019
  688   2HG1  ILE  87          2HG1      ILE  87   8.346  -3.881  -5.826
  689   1HG2  ILE  87          1HG2      ILE  87   9.202  -3.309  -9.463
  690   2HG2  ILE  87          2HG2      ILE  87   8.671  -4.886 -10.007
  691   3HG2  ILE  87          3HG2      ILE  87   7.469  -3.697  -9.472
  692   1HD1  ILE  87          1HD1      ILE  87  10.348  -2.733  -6.831
  693   2HD1  ILE  87          2HD1      ILE  87   9.217  -1.766  -7.816
  694   3HD1  ILE  87          3HD1      ILE  87   9.155  -1.678  -6.053
  695    H    GLU  88           H        GLU  88   9.557  -7.536  -7.617
  696    HA   GLU  88           HA       GLU  88   9.411  -8.402 -10.306
  697   1HB   GLU  88          1HB       GLU  88  10.543  -9.783  -7.833
  698   2HB   GLU  88          2HB       GLU  88  10.768 -10.363  -9.488
  699   1HG   GLU  88          1HG       GLU  88  11.841  -8.207 -10.104
  700   2HG   GLU  88          2HG       GLU  88  11.678  -7.648  -8.440
  701    H    ARG  89           H        ARG  89   7.978  -9.918  -7.346
  702    HA   ARG  89           HA       ARG  89   6.874 -12.141  -8.781
  703   1HB   ARG  89          1HB       ARG  89   6.177 -10.887  -6.092
  704   2HB   ARG  89          2HB       ARG  89   5.472 -12.398  -6.690
  705   1HG   ARG  89          1HG       ARG  89   7.635 -13.490  -6.774
  706   2HG   ARG  89          2HG       ARG  89   8.482 -11.987  -6.405
  707   1HD   ARG  89          1HD       ARG  89   7.295 -11.913  -4.190
  708   2HD   ARG  89          2HD       ARG  89   6.630 -13.525  -4.559
  709    HE   ARG  89           HE       ARG  89   9.436 -13.614  -4.901
  710   1HH1  ARG  89          1HH2      ARG  89   7.091 -13.312  -2.248
  711   2HH1  ARG  89          2HH2      ARG  89   8.131 -14.007  -1.064
  712   1HH2  ARG  89          1HH1      ARG  89  10.814 -14.556  -3.324
  713   2HH2  ARG  89          2HH1      ARG  89  10.286 -14.752  -1.698
  714    H    LEU  90           H        LEU  90   5.516  -8.895  -8.027
  715    HA   LEU  90           HA       LEU  90   2.889  -9.512  -9.038
  716   1HB   LEU  90          1HB       LEU  90   4.413  -7.029  -8.305
  717   2HB   LEU  90          2HB       LEU  90   3.072  -6.851  -9.428
  718    HG   LEU  90           HG       LEU  90   1.489  -7.804  -7.905
  719   1HD1  LEU  90          1HD1      LEU  90   2.929  -9.428  -6.669
  720   2HD1  LEU  90          2HD1      LEU  90   3.714  -8.071  -5.838
  721   3HD1  LEU  90          3HD1      LEU  90   1.992  -8.393  -5.590
  722   1HD2  LEU  90          1HD2      LEU  90   1.468  -6.006  -6.275
  723   2HD2  LEU  90          2HD2      LEU  90   3.213  -5.729  -6.485
  724   3HD2  LEU  90          3HD2      LEU  90   2.084  -5.385  -7.811
  725    H    CYS  91           H        CYS  91   5.879  -8.232 -10.609
  726    HA   CYS  91           HA       CYS  91   4.657  -7.792 -13.158
  727   1HB   CYS  91          1HB       CYS  91   7.536  -8.523 -12.446
  728   2HB   CYS  91          2HB       CYS  91   6.980  -7.979 -14.037
  729    HG   CYS  91           HG       CYS  91   6.809  -6.421 -11.123
  730    H    GLU  92           H        GLU  92   6.113 -10.736 -11.656
  731    HA   GLU  92           HA       GLU  92   5.801 -12.373 -13.960
  732   1HB   GLU  92          1HB       GLU  92   7.267 -12.857 -12.012
  733   2HB   GLU  92          2HB       GLU  92   5.839 -13.187 -11.023
  734   1HG   GLU  92          1HG       GLU  92   5.215 -15.054 -12.514
  735   2HG   GLU  92          2HG       GLU  92   6.575 -14.681 -13.576
  736    H    MET  93           H        MET  93   3.600 -11.720 -11.162
  737    HA   MET  93           HA       MET  93   1.549 -13.524 -11.937
  738   1HB   MET  93          1HB       MET  93   1.538 -10.954 -10.309
  739   2HB   MET  93          2HB       MET  93   0.074 -11.882 -10.581
  740   1HG   MET  93          1HG       MET  93   2.591 -13.030  -9.328
  741   2HG   MET  93          2HG       MET  93   1.245 -12.369  -8.411
  742   1HE   MET  93          1HE       MET  93  -1.053 -13.507  -8.040
  743   2HE   MET  93          2HE       MET  93  -1.407 -13.428  -9.783
  744   3HE   MET  93          3HE       MET  93  -1.614 -14.954  -8.903
  745    H    ALA  94           H        ALA  94   2.135 -10.118 -12.941
  746    HA   ALA  94           HA       ALA  94   0.066 -10.462 -15.060
  747   1HB   ALA  94          1HB       ALA  94   0.156  -8.177 -13.045
  748   2HB   ALA  94          2HB       ALA  94  -0.930  -8.296 -14.451
  749   3HB   ALA  94          3HB       ALA  94  -1.065  -9.464 -13.121
  750    HA   PRO  95           HA       PRO  95   4.067  -8.702 -16.644
  751   1HB   PRO  95          1HB       PRO  95   2.919 -10.034 -19.099
  752   2HB   PRO  95          2HB       PRO  95   4.625  -9.933 -18.562
  753   1HG   PRO  95          1HG       PRO  95   3.202 -12.207 -18.164
  754   2HG   PRO  95          2HG       PRO  95   4.266 -11.575 -16.865
  755   1HD   PRO  95          1HD       PRO  95   1.266 -11.297 -17.136
  756   2HD   PRO  95          2HD       PRO  95   2.243 -11.686 -15.691
  757    H    GLU  96           H        GLU  96   0.774  -8.649 -18.124
  758    HA   GLU  96           HA       GLU  96   1.182  -6.390 -19.773
  759   1HB   GLU  96          1HB       GLU  96  -1.211  -6.323 -19.978
  760   2HB   GLU  96          2HB       GLU  96  -0.703  -8.012 -19.920
  761   1HG   GLU  96          1HG       GLU  96  -1.293  -8.007 -17.435
  762   2HG   GLU  96          2HG       GLU  96  -1.964  -6.388 -17.675
  763    H    MET  97           H        MET  97   0.943  -6.534 -16.315
  764    HA   MET  97           HA       MET  97   0.307  -3.639 -16.145
  765   1HB   MET  97          1HB       MET  97   0.104  -5.785 -14.008
  766   2HB   MET  97          2HB       MET  97  -0.266  -4.077 -13.795
  767   1HG   MET  97          1HG       MET  97  -1.733  -6.077 -15.521
  768   2HG   MET  97          2HG       MET  97  -2.322  -5.261 -14.092
  769   1HE   MET  97          1HE       MET  97  -2.963  -1.584 -15.369
  770   2HE   MET  97          2HE       MET  97  -3.166  -2.707 -14.015
  771   3HE   MET  97          3HE       MET  97  -1.538  -2.206 -14.511
  772    H    ARG  98           H        ARG  98   3.045  -5.515 -16.355
  773    HA   ARG  98           HA       ARG  98   4.420  -5.104 -14.000
  774   1HB   ARG  98          1HB       ARG  98   6.428  -5.642 -15.162
  775   2HB   ARG  98          2HB       ARG  98   5.110  -6.601 -15.816
  776   1HG   ARG  98          1HG       ARG  98   5.019  -4.836 -17.729
  777   2HG   ARG  98          2HG       ARG  98   6.560  -4.246 -17.100
  778   1HD   ARG  98          1HD       ARG  98   5.962  -7.073 -18.056
  779   2HD   ARG  98          2HD       ARG  98   6.870  -5.848 -18.954
  780    HE   ARG  98           HE       ARG  98   8.299  -5.986 -16.658
  781   1HH1  ARG  98          1HH1      ARG  98   7.232  -8.490 -18.935
  782   2HH1  ARG  98          2HH1      ARG  98   8.506  -9.586 -18.551
  783   1HH2  ARG  98          1HH2      ARG  98  10.003  -7.443 -16.144
  784   2HH2  ARG  98          2HH2      ARG  98  10.126  -8.964 -16.941
  785    H    GLY  99           H        GLY  99   4.284  -2.744 -16.704
  786   1HA   GLY  99          1HA       GLY  99   6.166  -0.920 -15.547
  787   2HA   GLY  99          2HA       GLY  99   4.983  -0.567 -16.817
  788    H    LYS 100           H        LYS 100   2.859  -1.607 -14.699
  789    HA   LYS 100           HA       LYS 100   2.367   1.069 -13.518
  790   1HB   LYS 100          1HB       LYS 100   0.546  -1.371 -13.749
  791   2HB   LYS 100          2HB       LYS 100   0.113   0.184 -13.088
  792   1HG   LYS 100          1HG       LYS 100  -0.854   0.099 -15.204
  793   2HG   LYS 100          2HG       LYS 100   0.473   1.249 -15.331
  794   1HD   LYS 100          1HD       LYS 100   1.737  -0.178 -16.723
  795   2HD   LYS 100          2HD       LYS 100   0.916  -1.631 -16.133
  796   1HE   LYS 100          1HE       LYS 100  -1.188  -0.865 -17.274
  797   2HE   LYS 100          2HE       LYS 100  -0.283   0.493 -17.951
  798   1HZ   LYS 100          1HZ       LYS 100   1.143  -1.140 -19.087
  799   2HZ   LYS 100          2HZ       LYS 100   0.247  -2.392 -18.503
  800   3HZ   LYS 100          3HZ       LYS 100  -0.412  -1.307 -19.522
  801    H    VAL 101           H        VAL 101   3.868  -1.859 -12.598
  802    HA   VAL 101           HA       VAL 101   2.928  -1.755  -9.826
  803    HB   VAL 101           HB       VAL 101   5.233  -3.369 -10.992
  804   1HG1  VAL 101          1HG1      VAL 101   4.867  -4.770  -8.975
  805   2HG1  VAL 101          2HG1      VAL 101   5.314  -3.116  -8.538
  806   3HG1  VAL 101          3HG1      VAL 101   3.625  -3.632  -8.407
  807   1HG2  VAL 101          1HG2      VAL 101   3.132  -4.055 -12.112
  808   2HG2  VAL 101          2HG2      VAL 101   3.721  -5.299 -11.028
  809   3HG2  VAL 101          3HG2      VAL 101   2.351  -4.274 -10.535
  810    H    MET 102           H        MET 102   3.978  -0.437  -8.281
  811    HA   MET 102           HA       MET 102   6.746   0.463  -8.840
  812   1HB   MET 102          1HB       MET 102   4.350   2.326  -8.547
  813   2HB   MET 102          2HB       MET 102   5.995   2.832  -8.138
  814   1HG   MET 102          1HG       MET 102   6.733   2.080 -10.420
  815   2HG   MET 102          2HG       MET 102   5.034   1.888 -10.853
  816   1HE   MET 102          1HE       MET 102   3.358   4.094 -10.004
  817   2HE   MET 102          2HE       MET 102   3.666   5.463 -11.097
  818   3HE   MET 102          3HE       MET 102   3.566   3.813 -11.748
  819    H    LEU 103           H        LEU 103   7.890   1.222  -7.071
  820    HA   LEU 103           HA       LEU 103   7.190   0.050  -4.536
  821   1HB   LEU 103          1HB       LEU 103   9.562   0.511  -5.567
  822   2HB   LEU 103          2HB       LEU 103   9.303   2.177  -5.088
  823    HG   LEU 103           HG       LEU 103   8.830   1.196  -2.694
  824   1HD1  LEU 103          1HD1      LEU 103  10.024  -0.918  -2.239
  825   2HD1  LEU 103          2HD1      LEU 103   8.679  -1.190  -3.361
  826   3HD1  LEU 103          3HD1      LEU 103  10.349  -1.132  -3.967
  827   1HD2  LEU 103          1HD2      LEU 103  11.609   1.110  -3.931
  828   2HD2  LEU 103          2HD2      LEU 103  10.787   2.528  -3.236
  829   3HD2  LEU 103          3HD2      LEU 103  11.248   1.179  -2.193
  830    H    PHE 104           H        PHE 104   6.008   1.032  -2.881
  831    HA   PHE 104           HA       PHE 104   4.863   3.585  -3.246
  832   1HB   PHE 104          1HB       PHE 104   4.068   1.633  -1.792
  833   2HB   PHE 104          2HB       PHE 104   5.255   2.151  -0.597
  834    HD1  PHE 104           HD1      PHE 104   3.991   2.990   1.228
  835    HD2  PHE 104           HD2      PHE 104   2.868   4.113  -2.777
  836    HE1  PHE 104           HE1      PHE 104   2.141   4.396   2.123
  837    HE2  PHE 104           HE2      PHE 104   1.091   5.542  -1.893
  838    HZ   PHE 104           HZ       PHE 104   0.615   5.589   0.531
  839    H    GLY 105           H        GLY 105   7.786   2.562  -1.454
  840   1HA   GLY 105          1HA       GLY 105   8.283   5.192  -0.333
  841   2HA   GLY 105          2HA       GLY 105   9.343   3.781  -0.271
  842    H    HIS 106           H        HIS 106   8.286   4.671  -3.482
  843    HA   HIS 106           HA       HIS 106  10.808   4.896  -4.581
  844   1HB   HIS 106          1HB       HIS 106   8.957   4.519  -5.953
  845   2HB   HIS 106          2HB       HIS 106   8.124   5.979  -5.404
  846    HD1  HIS 106           HD1      HIS 106  11.138   5.005  -7.697
  847    HD2  HIS 106           HD2      HIS 106   8.527   8.192  -6.738
  848    HE1  HIS 106           HE1      HIS 106  11.564   6.831  -9.406
  849    H    TRP 107           H        TRP 107   8.771   7.604  -3.364
  850    HA   TRP 107           HA       TRP 107  10.417   9.683  -4.262
  851   1HB   TRP 107          1HB       TRP 107   8.740   9.753  -1.736
  852   2HB   TRP 107          2HB       TRP 107   9.131  11.089  -2.807
  853    HD1  TRP 107           HD1      TRP 107   6.632   8.365  -2.224
  854    HE1  TRP 107           HE1      TRP 107   4.760   8.439  -3.930
  855    HE3  TRP 107           HE3      TRP 107   8.667  11.736  -5.519
  856    HZ2  TRP 107           HZ2      TRP 107   4.161   9.802  -6.412
  857    HZ3  TRP 107           HZ3      TRP 107   7.400  12.406  -7.546
  858    HH2  TRP 107           HH2      TRP 107   5.137  11.453  -7.990
  859    H    ASP 108           H        ASP 108  10.804   7.600  -1.431
  860    HA   ASP 108           HA       ASP 108  12.933   9.377  -0.313
  861   1HB   ASP 108          1HB       ASP 108  11.208   8.626   1.279
  862   2HB   ASP 108          2HB       ASP 108  11.555   6.941   0.878
  863    H    ASN 109           H        ASN 109  13.878   8.806  -2.502
  864    HA   ASN 109           HA       ASN 109  15.460   7.703  -3.711
  865   1HB   ASN 109          1HB       ASN 109  16.679   8.707  -1.810
  866   2HB   ASN 109          2HB       ASN 109  16.504   7.198  -0.912
  867   1HD2  ASN 109          2HD2      ASN 109  18.655   6.699  -0.724
  868   2HD2  ASN 109          1HD2      ASN 109  19.712   6.343  -2.072
  869    H    GLU 110           H        GLU 110  13.208   6.129  -3.475
  870    HA   GLU 110           HA       GLU 110  12.369   4.068  -3.557
  871   1HB   GLU 110          1HB       GLU 110  14.983   3.306  -4.888
  872   2HB   GLU 110          2HB       GLU 110  13.391   2.556  -5.095
  873   1HG   GLU 110          1HG       GLU 110  12.606   4.942  -5.787
  874   2HG   GLU 110          2HG       GLU 110  14.316   5.294  -6.006
  875    H    CYS 111           H        CYS 111  13.432   4.562  -1.028
  876    HA   CYS 111           HA       CYS 111  14.722   2.153  -0.033
  877   1HB   CYS 111          1HB       CYS 111  13.228   4.454   1.268
  878   2HB   CYS 111          2HB       CYS 111  13.928   3.099   2.190
  879    HG   CYS 111           HG       CYS 111  15.291   5.360   0.263
  880    H    GLU 112           H        GLU 112  13.748   0.215   0.122
  881    HA   GLU 112           HA       GLU 112  10.920  -0.187  -0.049
  882   1HB   GLU 112          1HB       GLU 112  11.391  -2.475   0.544
  883   2HB   GLU 112          2HB       GLU 112  12.501  -1.931  -0.697
  884   1HG   GLU 112          1HG       GLU 112  13.129  -2.266   2.274
  885   2HG   GLU 112          2HG       GLU 112  13.500  -3.426   1.010
  886    H    ILE 113           H        ILE 113   9.422  -0.795   1.576
  887    HA   ILE 113           HA       ILE 113   9.838   0.574   4.117
  888    HB   ILE 113           HB       ILE 113   7.534  -1.262   3.452
  889   1HG1  ILE 113          1HG1      ILE 113   7.634   0.228   1.505
  890   2HG1  ILE 113          2HG1      ILE 113   6.226   0.484   2.507
  891   1HG2  ILE 113          1HG2      ILE 113   6.240   0.280   4.891
  892   2HG2  ILE 113          2HG2      ILE 113   7.569  -0.503   5.737
  893   3HG2  ILE 113          3HG2      ILE 113   7.720   1.193   5.234
  894   1HD1  ILE 113          1HD1      ILE 113   7.096   2.575   1.646
  895   2HD1  ILE 113          2HD1      ILE 113   7.141   2.548   3.408
  896   3HD1  ILE 113          3HD1      ILE 113   8.650   2.308   2.480
  897    HA   PRO 114           HA       PRO 114  11.204  -3.245   6.240
  898   1HB   PRO 114          1HB       PRO 114   9.927  -2.008   8.659
  899   2HB   PRO 114          2HB       PRO 114  11.566  -2.687   8.475
  900   1HG   PRO 114          1HG       PRO 114  11.147   0.012   8.547
  901   2HG   PRO 114          2HG       PRO 114  12.370  -0.713   7.456
  902   1HD   PRO 114          1HD       PRO 114   9.588   0.246   6.778
  903   2HD   PRO 114          2HD       PRO 114  11.117   0.433   5.866
  904    H    ASP 115           H        ASP 115  10.034  -4.925   7.765
  905    HA   ASP 115           HA       ASP 115   7.182  -5.195   6.889
  906   1HB   ASP 115          1HB       ASP 115   8.370  -6.891   5.822
  907   2HB   ASP 115          2HB       ASP 115   9.412  -7.183   7.222
  908    HA   PRO 116           HA       PRO 116   6.895  -4.879  11.398
  909   1HB   PRO 116          1HB       PRO 116   4.275  -4.285  11.678
  910   2HB   PRO 116          2HB       PRO 116   5.413  -3.121  10.940
  911   1HG   PRO 116          1HG       PRO 116   3.553  -5.069   9.531
  912   2HG   PRO 116          2HG       PRO 116   3.745  -3.317   9.220
  913   1HD   PRO 116          1HD       PRO 116   5.062  -5.263   7.777
  914   2HD   PRO 116          2HD       PRO 116   5.790  -3.663   8.086
  915    H    TYR 117           H        TYR 117   5.314  -7.275   9.351
  916    HA   TYR 117           HA       TYR 117   3.506  -8.390  11.153
  917   1HB   TYR 117          1HB       TYR 117   3.786  -8.758   8.639
  918   2HB   TYR 117          2HB       TYR 117   5.066  -9.901   9.022
  919    HD1  TYR 117           HD1      TYR 117   4.506 -12.057  10.202
  920    HD2  TYR 117           HD2      TYR 117   1.470  -9.242   9.003
  921    HE1  TYR 117           HE1      TYR 117   2.784 -13.808  10.501
  922    HE2  TYR 117           HE2      TYR 117  -0.273 -10.997   9.282
  923    HH   TYR 117           HH       TYR 117   0.518 -14.330  10.380
  924    H    ARG 118           H        ARG 118   3.635  -9.933  12.765
  925    HA   ARG 118           HA       ARG 118   4.449 -11.262  14.336
  926   1HB   ARG 118          1HB       ARG 118   4.796 -12.719  12.429
  927   2HB   ARG 118          2HB       ARG 118   6.409 -12.077  12.150
  928   1HG   ARG 118          1HG       ARG 118   6.366 -14.335  13.141
  929   2HG   ARG 118          2HG       ARG 118   7.281 -13.177  14.085
  930   1HD   ARG 118          1HD       ARG 118   5.200 -12.905  15.572
  931   2HD   ARG 118          2HD       ARG 118   4.462 -14.203  14.632
  932    HE   ARG 118           HE       ARG 118   5.720 -15.732  15.788
  933   1HH1  ARG 118          1HH2      ARG 118   7.249 -12.539  16.262
  934   2HH1  ARG 118          2HH2      ARG 118   8.274 -13.084  17.545
  935   1HH2  ARG 118          1HH1      ARG 118   7.131 -16.443  17.455
  936   2HH2  ARG 118          2HH1      ARG 118   8.228 -15.351  18.208
  937    H    LYS 119           H        LYS 119   5.812  -8.446  13.879
  938    HA   LYS 119           HA       LYS 119   8.010  -8.932  15.860
  939   1HB   LYS 119          1HB       LYS 119   7.960  -6.974  13.534
  940   2HB   LYS 119          2HB       LYS 119   9.206  -7.026  14.789
  941   1HG   LYS 119          1HG       LYS 119   9.844  -9.306  14.161
  942   2HG   LYS 119          2HG       LYS 119   8.556  -9.377  12.973
  943   1HD   LYS 119          1HD       LYS 119   9.914  -7.093  12.155
  944   2HD   LYS 119          2HD       LYS 119  11.217  -8.074  12.818
  945   1HE   LYS 119          1HE       LYS 119  11.033  -8.580  10.471
  946   2HE   LYS 119          2HE       LYS 119  10.430  -9.993  11.352
  947   1HZ   LYS 119          1HZ       LYS 119   8.952  -9.285   9.470
  948   2HZ   LYS 119          2HZ       LYS 119   8.169  -9.226  10.908
  949   3HZ   LYS 119          3HZ       LYS 119   8.733  -7.855  10.206
  950    H    SER 120           H        SER 120   8.612  -6.639  16.829
  951    HA   SER 120           HA       SER 120   6.506  -6.255  18.670
  952   1HB   SER 120          1HB       SER 120   8.954  -4.494  18.235
  953   2HB   SER 120          2HB       SER 120   8.051  -4.726  19.744
  954    HG   SER 120           HG       SER 120   9.965  -5.986  19.671
  955    H    ARG 121           H        ARG 121   5.480  -4.183  19.299
  956    HA   ARG 121           HA       ARG 121   4.209  -2.878  17.129
  957   1HB   ARG 121          1HB       ARG 121   3.164  -1.452  18.729
  958   2HB   ARG 121          2HB       ARG 121   3.207  -3.097  19.358
  959   1HG   ARG 121          1HG       ARG 121   5.203  -2.454  20.768
  960   2HG   ARG 121          2HG       ARG 121   5.023  -0.786  20.201
  961   1HD   ARG 121          1HD       ARG 121   2.955  -2.387  21.764
  962   2HD   ARG 121          2HD       ARG 121   4.005  -1.140  22.417
  963    HE   ARG 121           HE       ARG 121   2.895   0.536  21.102
  964   1HH1  ARG 121          1HH2      ARG 121   1.136  -2.549  21.276
  965   2HH1  ARG 121          2HH2      ARG 121  -0.399  -1.851  20.922
  966   1HH2  ARG 121          1HH1      ARG 121   0.863   1.458  20.631
  967   2HH2  ARG 121          2HH1      ARG 121  -0.555   0.484  20.571
  968    H    GLU 122           H        GLU 122   7.273  -2.090  18.705
  969    HA   GLU 122           HA       GLU 122   7.534   0.568  17.756
  970   1HB   GLU 122          1HB       GLU 122   9.018  -0.553  19.403
  971   2HB   GLU 122          2HB       GLU 122   9.674  -1.575  18.117
  972   1HG   GLU 122          1HG       GLU 122  10.561   0.423  16.961
  973   2HG   GLU 122          2HG       GLU 122   9.813   1.475  18.167
  974    H    THR 123           H        THR 123   7.921  -2.586  16.098
  975    HA   THR 123           HA       THR 123   9.092  -1.512  13.700
  976    HB   THR 123           HB       THR 123   7.322  -3.926  13.526
  977    HG1  THR 123           1HG      THR 123   8.092  -4.436  15.432
  978   1HG2  THR 123          1HG2      THR 123   8.811  -3.218  11.665
  979   2HG2  THR 123          2HG2      THR 123  10.223  -3.420  12.727
  980   3HG2  THR 123          3HG2      THR 123   9.230  -4.825  12.279
  981    H    PHE 124           H        PHE 124   5.692  -2.142  14.780
  982    HA   PHE 124           HA       PHE 124   4.469  -1.312  12.330
  983   1HB   PHE 124          1HB       PHE 124   3.453  -1.402  15.195
  984   2HB   PHE 124          2HB       PHE 124   2.489  -0.797  13.870
  985    HD1  PHE 124           HD1      PHE 124   1.348  -2.226  12.361
  986    HD2  PHE 124           HD2      PHE 124   4.257  -3.880  15.091
  987    HE1  PHE 124           HE1      PHE 124   0.569  -4.520  11.824
  988    HE2  PHE 124           HE2      PHE 124   3.477  -6.158  14.539
  989    HZ   PHE 124           HZ       PHE 124   1.625  -6.486  12.908
  990    H    ALA 125           H        ALA 125   5.519   0.569  15.234
  991    HA   ALA 125           HA       ALA 125   4.427   3.042  14.326
  992   1HB   ALA 125          1HB       ALA 125   5.146   2.630  16.654
  993   2HB   ALA 125          2HB       ALA 125   6.844   2.554  16.125
  994   3HB   ALA 125          3HB       ALA 125   5.933   4.066  15.969
  995    H    ALA 126           H        ALA 126   7.727   1.623  13.871
  996    HA   ALA 126           HA       ALA 126   8.802   3.813  12.380
  997   1HB   ALA 126          1HB       ALA 126   9.487   0.837  12.266
  998   2HB   ALA 126          2HB       ALA 126  10.485   2.165  11.639
  999   3HB   ALA 126          3HB       ALA 126  10.187   2.031  13.383
 1000    H    VAL 127           H        VAL 127   7.241   0.764  11.268
 1001    HA   VAL 127           HA       VAL 127   7.345   1.359   8.502
 1002    HB   VAL 127           HB       VAL 127   5.573  -0.423  10.212
 1003   1HG1  VAL 127          1HG1      VAL 127   5.579  -0.234   7.176
 1004   2HG1  VAL 127          2HG1      VAL 127   4.885  -1.567   8.119
 1005   3HG1  VAL 127          3HG1      VAL 127   4.204   0.051   8.264
 1006   1HG2  VAL 127          1HG2      VAL 127   7.774  -1.047   8.188
 1007   2HG2  VAL 127          2HG2      VAL 127   8.034  -0.966   9.940
 1008   3HG2  VAL 127          3HG2      VAL 127   6.972  -2.200   9.273
 1009    H    TYR 128           H        TYR 128   4.712   2.054  10.921
 1010    HA   TYR 128           HA       TYR 128   2.942   3.305   9.136
 1011   1HB   TYR 128          1HB       TYR 128   2.203   2.856  11.357
 1012   2HB   TYR 128          2HB       TYR 128   3.533   3.760  12.078
 1013    HD1  TYR 128           HD1      TYR 128   3.537   6.196  12.213
 1014    HD2  TYR 128           HD2      TYR 128   0.280   4.081  10.324
 1015    HE1  TYR 128           HE1      TYR 128   2.263   8.306  12.062
 1016    HE2  TYR 128           HE2      TYR 128  -1.028   6.173  10.231
 1017    HH   TYR 128           HH       TYR 128  -1.104   8.404  10.848
 1018    H    THR 129           H        THR 129   5.707   4.776  10.973
 1019    HA   THR 129           HA       THR 129   5.170   7.414  10.108
 1020    HB   THR 129           HB       THR 129   7.850   6.169  10.878
 1021    HG1  THR 129           1HG      THR 129   6.391   5.784  12.504
 1022   1HG2  THR 129          1HG2      THR 129   8.369   8.454  11.720
 1023   2HG2  THR 129          2HG2      THR 129   8.128   8.439   9.969
 1024   3HG2  THR 129          3HG2      THR 129   6.840   9.049  11.031
 1025    H    LEU 130           H        LEU 130   7.223   4.853   8.625
 1026    HA   LEU 130           HA       LEU 130   8.152   6.559   6.502
 1027   1HB   LEU 130          1HB       LEU 130   9.351   4.590   7.370
 1028   2HB   LEU 130          2HB       LEU 130   8.063   3.529   6.793
 1029    HG   LEU 130           HG       LEU 130   8.603   4.015   4.479
 1030   1HD1  LEU 130          1HD1      LEU 130   9.286   6.371   4.543
 1031   2HD1  LEU 130          2HD1      LEU 130  10.685   5.969   5.565
 1032   3HD1  LEU 130          3HD1      LEU 130  10.604   5.410   3.880
 1033   1HD2  LEU 130          1HD2      LEU 130  11.124   3.475   6.096
 1034   2HD2  LEU 130          2HD2      LEU 130   9.859   2.300   5.704
 1035   3HD2  LEU 130          3HD2      LEU 130  10.829   3.009   4.400
 1036    H    LEU 131           H        LEU 131   5.393   4.290   6.815
 1037    HA   LEU 131           HA       LEU 131   4.536   4.534   4.066
 1038   1HB   LEU 131          1HB       LEU 131   3.034   3.819   6.621
 1039   2HB   LEU 131          2HB       LEU 131   2.289   3.827   5.028
 1040    HG   LEU 131           HG       LEU 131   4.622   2.036   5.837
 1041   1HD1  LEU 131          1HD1      LEU 131   1.691   1.375   5.334
 1042   2HD1  LEU 131          2HD1      LEU 131   2.981   0.229   5.761
 1043   3HD1  LEU 131          3HD1      LEU 131   2.472   1.451   6.934
 1044   1HD2  LEU 131          1HD2      LEU 131   4.748   2.476   3.457
 1045   2HD2  LEU 131          2HD2      LEU 131   4.135   0.849   3.720
 1046   3HD2  LEU 131          3HD2      LEU 131   3.010   2.148   3.269
 1047    H    GLU 132           H        GLU 132   3.944   6.478   7.025
 1048    HA   GLU 132           HA       GLU 132   2.016   8.178   5.777
 1049   1HB   GLU 132          1HB       GLU 132   2.287   7.803   8.200
 1050   2HB   GLU 132          2HB       GLU 132   3.798   8.697   8.187
 1051   1HG   GLU 132          1HG       GLU 132   1.373  10.070   7.041
 1052   2HG   GLU 132          2HG       GLU 132   1.319   9.721   8.760
 1053    H    ARG 133           H        ARG 133   5.634   8.421   6.064
 1054    HA   ARG 133           HA       ARG 133   5.856  10.878   4.604
 1055   1HB   ARG 133          1HB       ARG 133   7.700   8.456   4.383
 1056   2HB   ARG 133          2HB       ARG 133   8.072  10.070   3.831
 1057   1HG   ARG 133          1HG       ARG 133   7.695   9.317   6.746
 1058   2HG   ARG 133          2HG       ARG 133   9.216   9.294   5.896
 1059   1HD   ARG 133          1HD       ARG 133   9.013  11.295   7.276
 1060   2HD   ARG 133          2HD       ARG 133   9.231  11.657   5.568
 1061    HE   ARG 133           HE       ARG 133   7.398  12.924   5.690
 1062   1HH1  ARG 133          1HH2      ARG 133   6.797  10.298   8.052
 1063   2HH1  ARG 133          2HH2      ARG 133   5.285  10.994   8.576
 1064   1HH2  ARG 133          1HH1      ARG 133   5.404  13.763   6.436
 1065   2HH2  ARG 133          2HH1      ARG 133   4.398  12.784   7.472
 1066    H    SER 134           H        SER 134   5.715   7.487   3.428
 1067    HA   SER 134           HA       SER 134   6.041   8.133   0.702
 1068   1HB   SER 134          1HB       SER 134   4.614   5.741   1.942
 1069   2HB   SER 134          2HB       SER 134   5.268   5.844   0.299
 1070    HG   SER 134           HG       SER 134   6.687   5.861   2.776
 1071    H    ALA 135           H        ALA 135   3.010   7.480   2.563
 1072    HA   ALA 135           HA       ALA 135   1.247   7.878   0.403
 1073   1HB   ALA 135          1HB       ALA 135   0.793   8.316   3.392
 1074   2HB   ALA 135          2HB       ALA 135  -0.481   8.141   2.160
 1075   3HB   ALA 135          3HB       ALA 135   0.597   6.780   2.529
 1076    H    ARG 136           H        ARG 136   2.596  10.265   2.770
 1077    HA   ARG 136           HA       ARG 136   0.962  12.419   1.792
 1078   1HB   ARG 136          1HB       ARG 136   2.117  12.285   4.017
 1079   2HB   ARG 136          2HB       ARG 136   3.665  12.560   3.199
 1080   1HG   ARG 136          1HG       ARG 136   2.798  14.753   2.362
 1081   2HG   ARG 136          2HG       ARG 136   1.259  14.455   3.190
 1082   1HD   ARG 136          1HD       ARG 136   3.990  14.667   4.529
 1083   2HD   ARG 136          2HD       ARG 136   2.804  15.963   4.459
 1084    HE   ARG 136           HE       ARG 136   2.622  13.435   6.046
 1085   1HH1  ARG 136          1HH2      ARG 136   1.031  16.522   5.229
 1086   2HH1  ARG 136          2HH2      ARG 136   0.021  16.492   6.626
 1087   1HH2  ARG 136          1HH1      ARG 136   1.452  13.441   7.818
 1088   2HH2  ARG 136          2HH1      ARG 136   0.247  14.663   8.187
 1089    H    GLN 137           H        GLN 137   4.256  11.224   0.877
 1090    HA   GLN 137           HA       GLN 137   4.780  13.325  -0.973
 1091   1HB   GLN 137          1HB       GLN 137   5.779  10.461  -0.814
 1092   2HB   GLN 137          2HB       GLN 137   6.397  11.646  -1.963
 1093   1HG   GLN 137          1HG       GLN 137   6.446  12.262   1.011
 1094   2HG   GLN 137          2HG       GLN 137   7.649  11.205   0.282
 1095   1HE2  GLN 137          2HE2      GLN 137   9.313  12.721   0.862
 1096   2HE2  GLN 137          1HE2      GLN 137   9.541  14.189  -0.055
 1097    H    TRP 138           H        TRP 138   3.288  10.044  -1.474
 1098    HA   TRP 138           HA       TRP 138   2.743  10.402  -4.223
 1099   1HB   TRP 138          1HB       TRP 138   1.444   8.725  -2.065
 1100   2HB   TRP 138          2HB       TRP 138   0.737   8.826  -3.671
 1101    HD1  TRP 138           HD1      TRP 138   3.594   7.203  -1.828
 1102    HE1  TRP 138           HE1      TRP 138   4.993   5.768  -3.351
 1103    HE3  TRP 138           HE3      TRP 138   1.367   8.418  -6.276
 1104    HZ2  TRP 138           HZ2      TRP 138   5.028   5.033  -6.181
 1105    HZ3  TRP 138           HZ3      TRP 138   2.094   7.308  -8.372
 1106    HH2  TRP 138           HH2      TRP 138   3.929   5.630  -8.333
 1107    H    ALA 139           H        ALA 139   0.692  11.287  -1.355
 1108    HA   ALA 139           HA       ALA 139  -1.433  12.352  -2.874
 1109   1HB   ALA 139          1HB       ALA 139  -1.583  11.889  -0.465
 1110   2HB   ALA 139          2HB       ALA 139  -0.431  13.203  -0.124
 1111   3HB   ALA 139          3HB       ALA 139  -2.015  13.576  -0.827
 1112    H    GLN 140           H        GLN 140   1.597  13.956  -1.743
 1113    HA   GLN 140           HA       GLN 140   0.920  16.559  -2.609
 1114   1HB   GLN 140          1HB       GLN 140   2.783  16.133  -1.112
 1115   2HB   GLN 140          2HB       GLN 140   3.603  15.148  -2.316
 1116   1HG   GLN 140          1HG       GLN 140   4.685  17.286  -2.148
 1117   2HG   GLN 140          2HG       GLN 140   3.973  17.121  -3.743
 1118   1HE2  GLN 140          2HE2      GLN 140   1.941  18.368  -4.209
 1119   2HE2  GLN 140          1HE2      GLN 140   1.663  19.847  -3.306
 1120    H    ALA 141           H        ALA 141   2.515  13.843  -4.408
 1121    HA   ALA 141           HA       ALA 141   2.851  15.395  -6.804
 1122   1HB   ALA 141          1HB       ALA 141   2.728  12.372  -6.415
 1123   2HB   ALA 141          2HB       ALA 141   3.335  13.233  -7.851
 1124   3HB   ALA 141          3HB       ALA 141   4.182  13.392  -6.298
 1125    H    LEU 142           H        LEU 142   0.324  13.098  -5.721
 1126    HA   LEU 142           HA       LEU 142  -1.288  13.130  -8.058
 1127   1HB   LEU 142          1HB       LEU 142  -1.918  12.716  -5.118
 1128   2HB   LEU 142          2HB       LEU 142  -3.154  12.562  -6.353
 1129    HG   LEU 142           HG       LEU 142  -0.593  10.920  -6.468
 1130   1HD1  LEU 142          1HD1      LEU 142  -1.661  10.434  -4.316
 1131   2HD1  LEU 142          2HD1      LEU 142  -3.226  10.194  -5.114
 1132   3HD1  LEU 142          3HD1      LEU 142  -1.880   9.074  -5.424
 1133   1HD2  LEU 142          1HD2      LEU 142  -3.356  10.467  -7.668
 1134   2HD2  LEU 142          2HD2      LEU 142  -1.926  11.038  -8.556
 1135   3HD2  LEU 142          3HD2      LEU 142  -1.941   9.415  -7.848
 1136    H    ASN 143           H        ASN 143  -1.244  15.358  -5.243
 1137    HA   ASN 143           HA       ASN 143  -3.465  16.963  -6.091
 1138   1HB   ASN 143          1HB       ASN 143  -2.484  16.915  -3.768
 1139   2HB   ASN 143          2HB       ASN 143  -1.038  17.718  -4.414
 1140   1HD2  ASN 143          2HD2      ASN 143  -1.063  19.923  -3.982
 1141   2HD2  ASN 143          1HD2      ASN 143  -2.496  20.914  -3.956
 1142    H    ALA 144           H        ALA 144   0.001  17.006  -6.833
 1143    HA   ALA 144           HA       ALA 144   0.078  19.670  -7.970
 1144   1HB   ALA 144          1HB       ALA 144   1.945  18.610  -6.698
 1145   2HB   ALA 144          2HB       ALA 144   2.100  17.395  -7.992
 1146   3HB   ALA 144          3HB       ALA 144   2.422  19.118  -8.310
 1147    H    GLU 145           H        GLU 145   1.862  18.754  -9.982
 1148    HA   GLU 145           HA       GLU 145   0.187  18.922 -12.302
 1149   1HB   GLU 145          1HB       GLU 145   2.537  19.719 -12.200
 1150   2HB   GLU 145          2HB       GLU 145   3.104  18.048 -12.088
 1151   1HG   GLU 145          1HG       GLU 145   2.111  17.564 -14.317
 1152   2HG   GLU 145          2HG       GLU 145   1.482  19.209 -14.401
 1153    H    GLN 146           H        GLN 146  -1.060  17.513 -13.129
 1154    HA   GLN 146           HA       GLN 146  -0.358  14.741 -13.514
 1155   1HB   GLN 146          1HB       GLN 146  -2.831  15.673 -11.955
 1156   2HB   GLN 146          2HB       GLN 146  -2.689  14.073 -12.680
 1157   1HG   GLN 146          1HG       GLN 146  -0.977  15.192 -10.431
 1158   2HG   GLN 146          2HG       GLN 146  -2.249  13.998 -10.285
 1159   1HE2  GLN 146          2HE2      GLN 146   0.677  13.875  -9.629
 1160   2HE2  GLN 146          1HE2      GLN 146   1.258  12.434 -10.455
 1161    H    VAL 147           H        VAL 147  -1.934  13.820 -14.995
 1162    HA   VAL 147           HA       VAL 147  -3.170  15.710 -16.891
 1163    HB   VAL 147           HB       VAL 147  -1.851  14.520 -18.713
 1164   1HG1  VAL 147          1HG1      VAL 147  -1.350  16.846 -17.973
 1165   2HG1  VAL 147          2HG1      VAL 147  -0.173  16.209 -16.802
 1166   3HG1  VAL 147          3HG1      VAL 147   0.086  15.984 -18.542
 1167   1HG2  VAL 147          1HG2      VAL 147   0.041  13.737 -16.431
 1168   2HG2  VAL 147          2HG2      VAL 147  -0.968  12.608 -17.363
 1169   3HG2  VAL 147          3HG2      VAL 147   0.315  13.516 -18.171
  Start of MODEL   10
    1    H    MET   1           H        MET   1  -6.205   9.799 -15.902
    2    HA   MET   1           HA       MET   1  -5.330  10.737 -13.910
    3   1HB   MET   1          1HB       MET   1  -7.275  12.094 -13.288
    4   2HB   MET   1          2HB       MET   1  -8.228  10.647 -12.946
    5   1HG   MET   1          1HG       MET   1  -7.349  11.820 -10.927
    6   2HG   MET   1          2HG       MET   1  -6.916  10.122 -11.019
    7   1HE   MET   1          1HE       MET   1  -5.494  12.031  -8.924
    8   2HE   MET   1          2HE       MET   1  -5.175  10.296  -9.153
    9   3HE   MET   1          3HE       MET   1  -3.828  11.460  -9.121
   10    H    PHE   2           H        PHE   2  -4.596   9.357 -12.218
   11    HA   PHE   2           HA       PHE   2  -4.967   6.497 -12.514
   12   1HB   PHE   2          1HB       PHE   2  -3.564   8.099 -10.334
   13   2HB   PHE   2          2HB       PHE   2  -3.368   6.387 -10.670
   14    HD1  PHE   2           HD1      PHE   2  -2.206   9.735 -11.423
   15    HD2  PHE   2           HD2      PHE   2  -2.352   5.703 -12.956
   16    HE1  PHE   2           HE1      PHE   2  -0.351  10.252 -12.984
   17    HE2  PHE   2           HE2      PHE   2  -0.486   6.226 -14.502
   18    HZ   PHE   2           HZ       PHE   2   0.519   8.503 -14.520
   19    H    ASN   3           H        ASN   3  -7.472   7.034 -12.245
   20    HA   ASN   3           HA       ASN   3  -8.480   7.896  -9.742
   21   1HB   ASN   3          1HB       ASN   3  -9.770   7.881 -11.881
   22   2HB   ASN   3          2HB       ASN   3  -9.878   6.119 -11.792
   23   1HD2  ASN   3          2HD2      ASN   3 -11.370   5.156 -10.206
   24   2HD2  ASN   3          1HD2      ASN   3 -12.497   6.172  -9.343
   25    H    ASN   4           H        ASN   4  -7.660   4.621 -10.886
   26    HA   ASN   4           HA       ASN   4  -8.769   3.445  -8.360
   27   1HB   ASN   4          1HB       ASN   4  -8.255   2.222 -11.119
   28   2HB   ASN   4          2HB       ASN   4  -8.592   1.299  -9.656
   29   1HD2  ASN   4          2HD2      ASN   4 -10.332   0.372 -11.033
   30   2HD2  ASN   4          1HD2      ASN   4 -11.851   1.234 -11.063
   31    H    ILE   5           H        ILE   5  -7.204   2.703  -6.960
   32    HA   ILE   5           HA       ILE   5  -4.457   2.218  -8.015
   33    HB   ILE   5           HB       ILE   5  -5.256   3.922  -5.627
   34   1HG1  ILE   5          1HG1      ILE   5  -3.879   4.695  -8.235
   35   2HG1  ILE   5          2HG1      ILE   5  -5.524   5.112  -7.765
   36   1HG2  ILE   5          1HG2      ILE   5  -2.440   3.284  -6.598
   37   2HG2  ILE   5          2HG2      ILE   5  -2.862   4.313  -5.207
   38   3HG2  ILE   5          3HG2      ILE   5  -3.183   2.603  -5.137
   39   1HD1  ILE   5          1HD1      ILE   5  -3.017   6.157  -6.416
   40   2HD1  ILE   5          2HD1      ILE   5  -4.108   7.025  -7.492
   41   3HD1  ILE   5          3HD1      ILE   5  -4.701   6.485  -5.910
   42    H    LEU   6           H        LEU   6  -3.336   0.590  -6.839
   43    HA   LEU   6           HA       LEU   6  -4.862  -0.729  -4.621
   44   1HB   LEU   6          1HB       LEU   6  -4.499  -1.876  -7.137
   45   2HB   LEU   6          2HB       LEU   6  -3.113  -2.488  -6.253
   46    HG   LEU   6           HG       LEU   6  -6.060  -2.848  -5.619
   47   1HD1  LEU   6          1HD1      LEU   6  -5.586  -5.220  -6.012
   48   2HD1  LEU   6          2HD1      LEU   6  -5.001  -4.297  -7.404
   49   3HD1  LEU   6          3HD1      LEU   6  -3.850  -4.882  -6.199
   50   1HD2  LEU   6          1HD2      LEU   6  -4.909  -2.639  -3.458
   51   2HD2  LEU   6          2HD2      LEU   6  -5.465  -4.270  -3.744
   52   3HD2  LEU   6          3HD2      LEU   6  -3.742  -3.875  -3.945
   53    H    VAL   7           H        VAL   7  -3.541  -1.291  -2.862
   54    HA   VAL   7           HA       VAL   7  -0.612  -1.006  -3.267
   55    HB   VAL   7           HB       VAL   7  -1.971  -0.695  -0.582
   56   1HG1  VAL   7          1HG1      VAL   7   0.775  -0.012  -1.748
   57   2HG1  VAL   7          2HG1      VAL   7   0.250   0.466  -0.141
   58   3HG1  VAL   7          3HG1      VAL   7   0.411  -1.247  -0.527
   59   1HG2  VAL   7          1HG2      VAL   7  -2.874   1.142  -1.913
   60   2HG2  VAL   7          2HG2      VAL   7  -1.638   1.762  -0.819
   61   3HG2  VAL   7          3HG2      VAL   7  -1.258   1.534  -2.542
   62    H    VAL   8           H        VAL   8   0.651  -2.781  -2.665
   63    HA   VAL   8           HA       VAL   8  -0.874  -5.172  -1.754
   64    HB   VAL   8           HB       VAL   8   1.230  -5.282  -3.920
   65   1HG1  VAL   8          1HG1      VAL   8  -1.181  -7.034  -3.245
   66   2HG1  VAL   8          2HG1      VAL   8  -0.004  -7.346  -4.532
   67   3HG1  VAL   8          3HG1      VAL   8   0.518  -7.395  -2.851
   68   1HG2  VAL   8          1HG2      VAL   8  -0.498  -5.238  -5.662
   69   2HG2  VAL   8          2HG2      VAL   8  -1.725  -4.806  -4.448
   70   3HG2  VAL   8          3HG2      VAL   8  -0.393  -3.694  -4.842
   71    H    CYS   9           H        CYS   9   0.209  -6.497  -0.274
   72    HA   CYS   9           HA       CYS   9   3.151  -6.448  -0.311
   73   1HB   CYS   9          1HB       CYS   9   3.457  -6.004   2.032
   74   2HB   CYS   9          2HB       CYS   9   2.513  -4.691   1.332
   75    HG   CYS   9           HG       CYS   9   1.657  -7.184   3.303
   76    H    VAL  10           H        VAL  10   3.865  -8.144   1.637
   77    HA   VAL  10           HA       VAL  10   2.362 -10.640   0.957
   78    HB   VAL  10           HB       VAL  10   4.116 -11.753   2.354
   79   1HG1  VAL  10          1HG1      VAL  10   4.244 -11.798  -0.057
   80   2HG1  VAL  10          2HG1      VAL  10   5.008 -10.202  -0.111
   81   3HG1  VAL  10          3HG1      VAL  10   5.877 -11.588   0.594
   82   1HG2  VAL  10          1HG2      VAL  10   4.901  -9.838   3.706
   83   2HG2  VAL  10          2HG2      VAL  10   6.223 -10.614   2.831
   84   3HG2  VAL  10          3HG2      VAL  10   5.572  -9.073   2.249
   85    H    GLY  11           H        GLY  11   1.343 -11.842   2.708
   86   1HA   GLY  11          1HA       GLY  11   0.197 -12.095   4.685
   87   2HA   GLY  11          2HA       GLY  11   1.110 -10.741   5.363
   88    H    ASN  12           H        ASN  12   0.236  -8.862   3.234
   89    HA   ASN  12           HA       ASN  12  -1.357  -7.413   2.658
   90   1HB   ASN  12          1HB       ASN  12  -2.691  -9.424   1.997
   91   2HB   ASN  12          2HB       ASN  12  -3.474  -9.389   3.567
   92   1HD2  ASN  12          1HD2      ASN  12  -3.177  -6.078   2.979
   93   2HD2  ASN  12          2HD2      ASN  12  -4.684  -5.907   2.123
   94    H    ILE  13           H        ILE  13  -2.510  -8.935   5.709
   95    HA   ILE  13           HA       ILE  13  -4.011  -6.762   6.554
   96    HB   ILE  13           HB       ILE  13  -4.146  -7.942   8.688
   97   1HG1  ILE  13          1HG1      ILE  13  -1.929  -9.780   7.670
   98   2HG1  ILE  13          2HG1      ILE  13  -1.719  -8.544   8.908
   99   1HG2  ILE  13          1HG2      ILE  13  -5.394  -8.722   6.672
  100   2HG2  ILE  13          2HG2      ILE  13  -4.139  -9.960   6.399
  101   3HG2  ILE  13          3HG2      ILE  13  -5.126  -9.977   7.873
  102   1HD1  ILE  13          1HD1      ILE  13  -1.986 -10.652  10.011
  103   2HD1  ILE  13          2HD1      ILE  13  -3.457  -9.704  10.309
  104   3HD1  ILE  13          3HD1      ILE  13  -3.462 -11.023   9.110
  105    H    CYS  14           H        CYS  14  -0.761  -6.301   6.327
  106    HA   CYS  14           HA       CYS  14  -0.588  -4.861   8.952
  107   1HB   CYS  14          1HB       CYS  14   1.832  -5.424   8.915
  108   2HB   CYS  14          2HB       CYS  14   0.768  -6.829   9.077
  109    HG   CYS  14           HG       CYS  14   0.928  -7.717   6.702
  110    H    ARG  15           H        ARG  15   0.030  -4.510   5.449
  111    HA   ARG  15           HA       ARG  15   1.111  -1.784   6.071
  112   1HB   ARG  15          1HB       ARG  15   2.361  -3.832   4.205
  113   2HB   ARG  15          2HB       ARG  15   2.781  -2.116   4.257
  114   1HG   ARG  15          1HG       ARG  15   3.445  -2.298   6.605
  115   2HG   ARG  15          2HG       ARG  15   3.041  -4.014   6.636
  116   1HD   ARG  15          1HD       ARG  15   5.141  -2.796   4.800
  117   2HD   ARG  15          2HD       ARG  15   5.470  -3.501   6.375
  118    HE   ARG  15           HE       ARG  15   4.074  -5.485   5.044
  119   1HH1  ARG  15          1HH2      ARG  15   7.273  -3.895   4.760
  120   2HH1  ARG  15          2HH2      ARG  15   7.875  -5.145   3.690
  121   1HH2  ARG  15          1HH1      ARG  15   5.142  -7.218   3.843
  122   2HH2  ARG  15          2HH1      ARG  15   6.745  -6.902   3.193
  123    H    SER  16           H        SER  16  -0.170  -3.833   3.325
  124    HA   SER  16           HA       SER  16  -0.632  -1.594   1.701
  125   1HB   SER  16          1HB       SER  16  -2.432  -3.150   0.662
  126   2HB   SER  16          2HB       SER  16  -0.707  -3.531   0.543
  127    HG   SER  16           HG       SER  16  -1.886  -5.341   1.111
  128    HA   PRO  17           HA       PRO  17  -5.016  -0.986   3.472
  129   1HB   PRO  17          1HB       PRO  17  -5.500  -1.594   6.123
  130   2HB   PRO  17          2HB       PRO  17  -5.891  -2.632   4.729
  131   1HG   PRO  17          1HG       PRO  17  -3.476  -2.791   6.542
  132   2HG   PRO  17          2HG       PRO  17  -4.524  -4.130   5.972
  133   1HD   PRO  17          1HD       PRO  17  -2.167  -3.571   4.797
  134   2HD   PRO  17          2HD       PRO  17  -3.568  -4.081   3.814
  135    H    THR  18           H        THR  18  -2.191  -0.827   5.668
  136    HA   THR  18           HA       THR  18  -2.938   1.582   6.996
  137    HB   THR  18           HB       THR  18  -0.116   0.607   6.441
  138    HG1  THR  18           1HG      THR  18  -0.370  -0.897   8.041
  139   1HG2  THR  18          1HG2      THR  18  -0.335   2.715   7.726
  140   2HG2  THR  18          2HG2      THR  18  -1.408   1.899   8.883
  141   3HG2  THR  18          3HG2      THR  18   0.297   1.409   8.743
  142    H    ALA  19           H        ALA  19  -0.830   0.912   4.141
  143    HA   ALA  19           HA       ALA  19  -0.307   3.622   3.443
  144   1HB   ALA  19          1HB       ALA  19  -0.494   1.079   1.788
  145   2HB   ALA  19          2HB       ALA  19   0.158   2.620   1.181
  146   3HB   ALA  19          3HB       ALA  19   0.976   1.753   2.512
  147    H    GLU  20           H        GLU  20  -2.897   1.341   2.321
  148    HA   GLU  20           HA       GLU  20  -4.087   3.039   0.442
  149   1HB   GLU  20          1HB       GLU  20  -4.628   0.673   0.664
  150   2HB   GLU  20          2HB       GLU  20  -5.283   0.937   2.279
  151   1HG   GLU  20          1HG       GLU  20  -6.769   2.694   0.597
  152   2HG   GLU  20          2HG       GLU  20  -6.539   1.235  -0.326
  153    H    ARG  21           H        ARG  21  -4.944   2.665   3.944
  154    HA   ARG  21           HA       ARG  21  -6.976   4.669   3.827
  155   1HB   ARG  21          1HB       ARG  21  -5.376   3.405   6.085
  156   2HB   ARG  21          2HB       ARG  21  -6.623   4.598   6.390
  157   1HG   ARG  21          1HG       ARG  21  -7.165   1.983   4.930
  158   2HG   ARG  21          2HG       ARG  21  -7.420   2.275   6.648
  159   1HD   ARG  21          1HD       ARG  21  -8.835   4.335   5.855
  160   2HD   ARG  21          2HD       ARG  21  -8.929   3.476   4.315
  161    HE   ARG  21           HE       ARG  21 -10.039   2.719   6.960
  162   1HH1  ARG  21          1HH2      ARG  21  -9.485   1.505   3.613
  163   2HH1  ARG  21          2HH2      ARG  21 -10.855   0.461   3.671
  164   1HH2  ARG  21          1HH1      ARG  21 -11.873   1.406   6.936
  165   2HH2  ARG  21          2HH1      ARG  21 -12.221   0.373   5.596
  166    H    LEU  22           H        LEU  22  -3.465   4.905   4.492
  167    HA   LEU  22           HA       LEU  22  -3.524   7.676   5.264
  168   1HB   LEU  22          1HB       LEU  22  -1.424   5.777   4.174
  169   2HB   LEU  22          2HB       LEU  22  -1.063   7.486   4.336
  170    HG   LEU  22           HG       LEU  22  -2.142   5.908   6.705
  171   1HD1  LEU  22          1HD1      LEU  22   0.734   6.189   5.779
  172   2HD1  LEU  22          2HD1      LEU  22   0.263   5.691   7.422
  173   3HD1  LEU  22          3HD1      LEU  22  -0.170   4.697   6.024
  174   1HD2  LEU  22          1HD2      LEU  22  -0.880   7.727   7.928
  175   2HD2  LEU  22          2HD2      LEU  22  -0.568   8.505   6.370
  176   3HD2  LEU  22          3HD2      LEU  22  -2.230   8.328   6.963
  177    H    LEU  23           H        LEU  23  -3.155   6.041   2.073
  178    HA   LEU  23           HA       LEU  23  -2.857   8.466   0.566
  179   1HB   LEU  23          1HB       LEU  23  -3.862   5.696  -0.170
  180   2HB   LEU  23          2HB       LEU  23  -3.696   6.997  -1.344
  181    HG   LEU  23           HG       LEU  23  -1.320   6.165   0.332
  182   1HD1  LEU  23          1HD1      LEU  23  -2.143   4.114  -0.700
  183   2HD1  LEU  23          2HD1      LEU  23  -2.225   4.909  -2.297
  184   3HD1  LEU  23          3HD1      LEU  23  -0.667   4.622  -1.495
  185   1HD2  LEU  23          1HD2      LEU  23  -1.584   7.429  -2.436
  186   2HD2  LEU  23          2HD2      LEU  23  -1.154   8.287  -0.942
  187   3HD2  LEU  23          3HD2      LEU  23  -0.066   7.062  -1.600
  188    H    GLN  24           H        GLN  24  -5.782   6.562   1.545
  189    HA   GLN  24           HA       GLN  24  -7.658   8.236   0.202
  190   1HB   GLN  24          1HB       GLN  24  -7.868   6.533   2.719
  191   2HB   GLN  24          2HB       GLN  24  -9.225   7.441   2.086
  192   1HG   GLN  24          1HG       GLN  24  -7.730   5.251   0.584
  193   2HG   GLN  24          2HG       GLN  24  -9.281   5.075   1.401
  194   1HE2  GLN  24          2HE2      GLN  24 -10.795   7.251   0.606
  195   2HE2  GLN  24          1HE2      GLN  24 -10.898   7.318  -1.145
  196    H    ARG  25           H        ARG  25  -6.197   8.531   3.528
  197    HA   ARG  25           HA       ARG  25  -7.668  10.822   4.252
  198   1HB   ARG  25          1HB       ARG  25  -6.420   9.593   5.879
  199   2HB   ARG  25          2HB       ARG  25  -4.886   9.884   5.063
  200   1HG   ARG  25          1HG       ARG  25  -4.817  12.165   5.673
  201   2HG   ARG  25          2HG       ARG  25  -6.526  12.210   6.125
  202   1HD   ARG  25          1HD       ARG  25  -4.479  10.495   7.594
  203   2HD   ARG  25          2HD       ARG  25  -4.842  12.175   8.039
  204    HE   ARG  25           HE       ARG  25  -7.302  10.874   7.847
  205   1HH1  ARG  25          1HH2      ARG  25  -4.457  10.649   9.973
  206   2HH1  ARG  25          2HH2      ARG  25  -5.353  10.111  11.352
  207   1HH2  ARG  25          1HH1      ARG  25  -8.488  10.214   9.637
  208   2HH2  ARG  25          2HH1      ARG  25  -7.722   9.815  11.129
  209    H    TYR  26           H        TYR  26  -4.535  10.641   2.460
  210    HA   TYR  26           HA       TYR  26  -4.451  13.517   2.204
  211   1HB   TYR  26          1HB       TYR  26  -2.836  11.297   0.909
  212   2HB   TYR  26          2HB       TYR  26  -2.546  13.010   0.632
  213    HD1  TYR  26           HD1      TYR  26  -2.555  14.458   2.989
  214    HD2  TYR  26           HD2      TYR  26  -1.295  10.367   2.451
  215    HE1  TYR  26           HE1      TYR  26  -1.115  14.646   4.986
  216    HE2  TYR  26           HE2      TYR  26   0.202  10.566   4.415
  217    HH   TYR  26           HH       TYR  26   1.006  11.980   6.087
  218    H    HIS  27           H        HIS  27  -5.892  11.015   0.158
  219    HA   HIS  27           HA       HIS  27  -6.606  13.066  -1.855
  220   1HB   HIS  27          1HB       HIS  27  -4.365  11.584  -2.161
  221   2HB   HIS  27          2HB       HIS  27  -5.493  10.424  -2.809
  222    HD1  HIS  27           HD1      HIS  27  -7.168  13.196  -4.144
  223    HD2  HIS  27           HD2      HIS  27  -3.238  11.751  -4.589
  224    HE1  HIS  27           HE1      HIS  27  -6.288  14.144  -6.346
  225    HA   PRO  28           HA       PRO  28  -9.774   9.981  -0.297
  226   1HB   PRO  28          1HB       PRO  28 -11.849  11.689   0.329
  227   2HB   PRO  28          2HB       PRO  28 -10.469  11.352   1.412
  228   1HG   PRO  28          1HG       PRO  28 -10.805  13.677  -0.510
  229   2HG   PRO  28          2HG       PRO  28 -10.323  13.729   1.218
  230   1HD   PRO  28          1HD       PRO  28  -8.470  13.804  -0.759
  231   2HD   PRO  28          2HD       PRO  28  -8.175  12.869   0.738
  232    H    GLU  29           H        GLU  29  -9.949  12.242  -2.964
  233    HA   GLU  29           HA       GLU  29 -12.565  11.265  -3.863
  234   1HB   GLU  29          1HB       GLU  29 -12.244  12.687  -5.798
  235   2HB   GLU  29          2HB       GLU  29 -12.065  13.574  -4.300
  236   1HG   GLU  29          1HG       GLU  29  -9.628  12.553  -5.812
  237   2HG   GLU  29          2HG       GLU  29 -10.447  14.036  -6.284
  238    H    LEU  30           H        LEU  30  -9.424   9.967  -3.951
  239    HA   LEU  30           HA       LEU  30  -9.816   8.595  -6.558
  240   1HB   LEU  30          1HB       LEU  30  -7.524   8.332  -4.579
  241   2HB   LEU  30          2HB       LEU  30  -7.598   7.684  -6.221
  242    HG   LEU  30           HG       LEU  30  -7.409  10.604  -5.422
  243   1HD1  LEU  30          1HD1      LEU  30  -5.321   9.269  -5.312
  244   2HD1  LEU  30          2HD1      LEU  30  -5.557   8.773  -7.006
  245   3HD1  LEU  30          3HD1      LEU  30  -5.257  10.472  -6.609
  246   1HD2  LEU  30          1HD2      LEU  30  -8.873  10.455  -7.419
  247   2HD2  LEU  30          2HD2      LEU  30  -7.308  11.145  -7.817
  248   3HD2  LEU  30          3HD2      LEU  30  -7.650   9.450  -8.237
  249    H    LYS  31           H        LYS  31  -9.313   6.179  -6.496
  250    HA   LYS  31           HA       LYS  31 -10.833   4.887  -4.259
  251   1HB   LYS  31          1HB       LYS  31 -12.049   4.920  -6.384
  252   2HB   LYS  31          2HB       LYS  31 -10.672   4.199  -7.225
  253   1HG   LYS  31          1HG       LYS  31 -10.913   2.114  -5.976
  254   2HG   LYS  31          2HG       LYS  31 -12.152   2.842  -4.930
  255   1HD   LYS  31          1HD       LYS  31 -13.638   3.124  -6.900
  256   2HD   LYS  31          2HD       LYS  31 -12.399   2.381  -7.938
  257   1HE   LYS  31          1HE       LYS  31 -12.530   0.290  -6.627
  258   2HE   LYS  31          2HE       LYS  31 -13.697   1.032  -5.525
  259   1HZ   LYS  31          1HZ       LYS  31 -14.176   0.531  -8.408
  260   2HZ   LYS  31          2HZ       LYS  31 -14.797  -0.336  -7.176
  261   3HZ   LYS  31          3HZ       LYS  31 -15.248   1.213  -7.378
  262    H    VAL  32           H        VAL  32  -8.891   4.664  -3.048
  263    HA   VAL  32           HA       VAL  32  -6.783   2.953  -4.224
  264    HB   VAL  32           HB       VAL  32  -6.807   4.221  -1.465
  265   1HG1  VAL  32          1HG1      VAL  32  -5.193   2.364  -1.851
  266   2HG1  VAL  32          2HG1      VAL  32  -4.548   3.220  -3.258
  267   3HG1  VAL  32          3HG1      VAL  32  -4.377   3.915  -1.637
  268   1HG2  VAL  32          1HG2      VAL  32  -5.391   6.019  -2.350
  269   2HG2  VAL  32          2HG2      VAL  32  -5.576   5.407  -3.999
  270   3HG2  VAL  32          3HG2      VAL  32  -6.958   6.084  -3.124
  271    H    GLU  33           H        GLU  33  -6.692   0.800  -3.678
  272    HA   GLU  33           HA       GLU  33  -8.239  -0.143  -1.292
  273   1HB   GLU  33          1HB       GLU  33  -8.115  -1.361  -4.072
  274   2HB   GLU  33          2HB       GLU  33  -8.688  -2.241  -2.665
  275   1HG   GLU  33          1HG       GLU  33  -9.927   0.314  -3.774
  276   2HG   GLU  33          2HG       GLU  33 -10.557  -1.313  -3.955
  277    H    SER  34           H        SER  34  -7.461  -2.562  -0.896
  278    HA   SER  34           HA       SER  34  -4.481  -2.569  -0.826
  279   1HB   SER  34          1HB       SER  34  -4.837  -3.202   1.638
  280   2HB   SER  34          2HB       SER  34  -5.102  -1.509   1.194
  281    HG   SER  34           HG       SER  34  -7.206  -1.680   1.476
  282    H    ALA  35           H        ALA  35  -3.594  -4.604  -1.092
  283    HA   ALA  35           HA       ALA  35  -5.229  -7.014  -0.573
  284   1HB   ALA  35          1HB       ALA  35  -5.755  -6.415  -2.914
  285   2HB   ALA  35          2HB       ALA  35  -4.015  -6.342  -3.299
  286   3HB   ALA  35          3HB       ALA  35  -4.779  -7.881  -2.864
  287    H    GLY  36           H        GLY  36  -3.705  -9.002  -1.239
  288   1HA   GLY  36          1HA       GLY  36  -0.867  -8.272  -1.025
  289   2HA   GLY  36          2HA       GLY  36  -1.482  -9.325   0.237
  290    H    LEU  37           H        LEU  37   0.653  -9.878  -1.358
  291    HA   LEU  37           HA       LEU  37   0.001 -11.568  -3.622
  292   1HB   LEU  37          1HB       LEU  37   2.473 -10.930  -1.990
  293   2HB   LEU  37          2HB       LEU  37   2.517 -12.241  -3.157
  294    HG   LEU  37           HG       LEU  37   1.575  -9.471  -3.984
  295   1HD1  LEU  37          1HD1      LEU  37   4.426 -10.529  -3.974
  296   2HD1  LEU  37          2HD1      LEU  37   3.876  -9.034  -4.774
  297   3HD1  LEU  37          3HD1      LEU  37   3.795  -9.178  -3.012
  298   1HD2  LEU  37          1HD2      LEU  37   2.751 -11.848  -5.508
  299   2HD2  LEU  37          2HD2      LEU  37   1.068 -11.303  -5.559
  300   3HD2  LEU  37          3HD2      LEU  37   2.341 -10.280  -6.228
  301    H    GLY  38           H        GLY  38   0.117 -12.090  -0.186
  302   1HA   GLY  38          1HA       GLY  38  -0.579 -14.938  -0.565
  303   2HA   GLY  38          2HA       GLY  38   0.815 -14.555   0.478
  304    H    ALA  39           H        ALA  39  -2.524 -13.363  -0.177
  305    HA   ALA  39           HA       ALA  39  -2.629 -12.028   2.418
  306   1HB   ALA  39          1HB       ALA  39  -3.611 -11.096   0.288
  307   2HB   ALA  39          2HB       ALA  39  -4.796 -12.428   0.328
  308   3HB   ALA  39          3HB       ALA  39  -4.783 -11.209   1.613
  309    H    LEU  40           H        LEU  40  -4.510 -12.269   3.826
  310    HA   LEU  40           HA       LEU  40  -5.348 -15.115   4.223
  311   1HB   LEU  40          1HB       LEU  40  -4.972 -12.749   6.117
  312   2HB   LEU  40          2HB       LEU  40  -5.863 -14.207   6.544
  313    HG   LEU  40           HG       LEU  40  -3.795 -15.571   6.035
  314   1HD1  LEU  40          1HD1      LEU  40  -2.396 -14.028   4.766
  315   2HD1  LEU  40          2HD1      LEU  40  -2.447 -12.834   6.083
  316   3HD1  LEU  40          3HD1      LEU  40  -1.597 -14.381   6.288
  317   1HD2  LEU  40          1HD2      LEU  40  -3.600 -13.523   8.283
  318   2HD2  LEU  40          2HD2      LEU  40  -4.564 -15.021   8.325
  319   3HD2  LEU  40          3HD2      LEU  40  -2.802 -15.111   8.233
  320    H    VAL  41           H        VAL  41  -6.845 -14.575   2.378
  321    HA   VAL  41           HA       VAL  41  -8.423 -12.425   2.052
  322    HB   VAL  41           HB       VAL  41  -9.445 -15.243   1.558
  323   1HG1  VAL  41          1HG1      VAL  41  -9.825 -12.616   0.039
  324   2HG1  VAL  41          2HG1      VAL  41 -10.458 -14.202  -0.453
  325   3HG1  VAL  41          3HG1      VAL  41 -11.052 -13.440   1.022
  326   1HG2  VAL  41          1HG2      VAL  41  -7.199 -15.294   0.708
  327   2HG2  VAL  41          2HG2      VAL  41  -8.249 -15.015  -0.675
  328   3HG2  VAL  41          3HG2      VAL  41  -7.349 -13.655   0.039
  329    H    GLY  42           H        GLY  42 -10.043 -11.370   2.981
  330   1HA   GLY  42          1HA       GLY  42 -12.105 -11.106   4.004
  331   2HA   GLY  42          2HA       GLY  42 -12.082 -12.783   4.553
  332    H    LYS  43           H        LYS  43  -9.214 -12.266   5.742
  333    HA   LYS  43           HA       LYS  43 -10.108 -11.618   8.374
  334   1HB   LYS  43          1HB       LYS  43  -8.090 -12.993   7.712
  335   2HB   LYS  43          2HB       LYS  43  -7.249 -11.485   7.310
  336   1HG   LYS  43          1HG       LYS  43  -7.401 -10.742   9.640
  337   2HG   LYS  43          2HG       LYS  43  -8.444 -12.117  10.050
  338   1HD   LYS  43          1HD       LYS  43  -6.595 -13.679   9.543
  339   2HD   LYS  43          2HD       LYS  43  -5.546 -12.304   9.125
  340   1HE   LYS  43          1HE       LYS  43  -5.755 -11.414  11.416
  341   2HE   LYS  43          2HE       LYS  43  -6.897 -12.695  11.836
  342   1HZ   LYS  43          1HZ       LYS  43  -5.122 -14.313  11.523
  343   2HZ   LYS  43          2HZ       LYS  43  -4.048 -13.135  11.138
  344   3HZ   LYS  43          3HZ       LYS  43  -4.690 -13.208  12.633
  345    H    GLY  44           H        GLY  44  -9.754  -9.736   9.666
  346   1HA   GLY  44          1HA       GLY  44  -9.929  -7.201   8.287
  347   2HA   GLY  44          2HA       GLY  44  -9.841  -7.461  10.032
  348    H    ALA  45           H        ALA  45  -8.447  -5.369   9.380
  349    HA   ALA  45           HA       ALA  45  -5.684  -5.859   8.627
  350   1HB   ALA  45          1HB       ALA  45  -6.580  -3.605   8.442
  351   2HB   ALA  45          2HB       ALA  45  -7.029  -3.589  10.157
  352   3HB   ALA  45          3HB       ALA  45  -5.316  -3.613   9.683
  353    H    ASP  46           H        ASP  46  -3.873  -5.787  10.156
  354    HA   ASP  46           HA       ASP  46  -4.217  -7.691  12.257
  355   1HB   ASP  46          1HB       ASP  46  -2.110  -7.397  11.005
  356   2HB   ASP  46          2HB       ASP  46  -1.891  -5.803  11.735
  357    HA   PRO  47           HA       PRO  47  -5.770  -4.946  15.440
  358   1HB   PRO  47          1HB       PRO  47  -4.140  -6.718  17.272
  359   2HB   PRO  47          2HB       PRO  47  -5.808  -6.101  17.496
  360   1HG   PRO  47          1HG       PRO  47  -5.405  -8.634  16.623
  361   2HG   PRO  47          2HG       PRO  47  -6.664  -7.613  15.852
  362   1HD   PRO  47          1HD       PRO  47  -3.884  -8.246  14.853
  363   2HD   PRO  47          2HD       PRO  47  -5.430  -8.153  13.951
  364    H    THR  48           H        THR  48  -2.261  -5.607  15.195
  365    HA   THR  48           HA       THR  48  -1.542  -3.485  17.070
  366    HB   THR  48           HB       THR  48   0.368  -4.580  15.025
  367    HG1  THR  48           1HG      THR  48  -0.613  -6.396  15.511
  368   1HG2  THR  48          1HG2      THR  48   0.581  -4.105  18.035
  369   2HG2  THR  48          2HG2      THR  48   1.913  -4.579  16.955
  370   3HG2  THR  48          3HG2      THR  48   1.134  -2.997  16.760
  371    H    ALA  49           H        ALA  49  -1.878  -3.949  13.523
  372    HA   ALA  49           HA       ALA  49  -0.813  -1.377  12.773
  373   1HB   ALA  49          1HB       ALA  49  -1.874  -1.872  10.615
  374   2HB   ALA  49          2HB       ALA  49  -1.051  -3.323  11.220
  375   3HB   ALA  49          3HB       ALA  49  -2.811  -3.197  11.342
  376    H    ILE  50           H        ILE  50  -4.114  -2.656  13.466
  377    HA   ILE  50           HA       ILE  50  -5.522  -0.214  13.069
  378    HB   ILE  50           HB       ILE  50  -6.073  -2.568  14.909
  379   1HG1  ILE  50          1HG1      ILE  50  -7.334  -1.833  12.225
  380   2HG1  ILE  50          2HG1      ILE  50  -6.029  -3.001  12.403
  381   1HG2  ILE  50          1HG2      ILE  50  -7.975  -0.308  14.125
  382   2HG2  ILE  50          2HG2      ILE  50  -8.420  -1.756  15.058
  383   3HG2  ILE  50          3HG2      ILE  50  -7.315  -0.591  15.747
  384   1HD1  ILE  50          1HD1      ILE  50  -8.107  -4.194  12.211
  385   2HD1  ILE  50          2HD1      ILE  50  -7.497  -4.400  13.863
  386   3HD1  ILE  50          3HD1      ILE  50  -8.843  -3.283  13.526
  387    H    SER  51           H        SER  51  -3.953  -1.549  16.066
  388    HA   SER  51           HA       SER  51  -4.769   0.581  17.734
  389   1HB   SER  51          1HB       SER  51  -2.291  -1.183  17.955
  390   2HB   SER  51          2HB       SER  51  -2.999  -0.200  19.248
  391    HG   SER  51           HG       SER  51  -4.143  -2.435  17.916
  392    H    VAL  52           H        VAL  52  -1.757   0.233  15.763
  393    HA   VAL  52           HA       VAL  52  -0.693   2.770  16.616
  394    HB   VAL  52           HB       VAL  52  -0.128   0.897  14.294
  395   1HG1  VAL  52          1HG1      VAL  52   1.427   3.427  14.979
  396   2HG1  VAL  52          2HG1      VAL  52   1.874   2.177  13.788
  397   3HG1  VAL  52          3HG1      VAL  52   0.457   3.176  13.511
  398   1HG2  VAL  52          1HG2      VAL  52   0.565   0.104  16.517
  399   2HG2  VAL  52          2HG2      VAL  52   2.006   0.606  15.623
  400   3HG2  VAL  52          3HG2      VAL  52   1.343   1.661  16.868
  401    H    ALA  53           H        ALA  53  -2.844   1.831  13.821
  402    HA   ALA  53           HA       ALA  53  -2.829   4.462  12.722
  403   1HB   ALA  53          1HB       ALA  53  -5.017   2.349  12.595
  404   2HB   ALA  53          2HB       ALA  53  -4.795   3.721  11.488
  405   3HB   ALA  53          3HB       ALA  53  -3.591   2.426  11.527
  406    H    ALA  54           H        ALA  54  -4.893   2.956  15.265
  407    HA   ALA  54           HA       ALA  54  -6.621   5.180  15.614
  408   1HB   ALA  54          1HB       ALA  54  -7.133   4.146  17.791
  409   2HB   ALA  54          2HB       ALA  54  -7.078   2.919  16.509
  410   3HB   ALA  54          3HB       ALA  54  -5.718   3.086  17.644
  411    H    GLU  55           H        GLU  55  -3.341   4.512  16.925
  412    HA   GLU  55           HA       GLU  55  -3.161   6.663  18.709
  413   1HB   GLU  55          1HB       GLU  55  -1.517   4.702  18.033
  414   2HB   GLU  55          2HB       GLU  55  -0.835   5.910  16.934
  415   1HG   GLU  55          1HG       GLU  55  -0.465   7.425  18.875
  416   2HG   GLU  55          2HG       GLU  55  -1.097   6.171  19.950
  417    H    HIS  56           H        HIS  56  -3.364   6.734  15.227
  418    HA   HIS  56           HA       HIS  56  -2.929   9.681  15.158
  419   1HB   HIS  56          1HB       HIS  56  -2.565   7.623  12.949
  420   2HB   HIS  56          2HB       HIS  56  -2.295   9.360  12.801
  421    HD1  HIS  56           HD1      HIS  56  -0.196  10.303  14.527
  422    HD2  HIS  56           HD2      HIS  56  -0.492   6.197  13.646
  423    HE1  HIS  56           HE1      HIS  56   2.053   9.276  15.133
  424    H    GLN  57           H        GLN  57  -5.331   7.829  15.739
  425    HA   GLN  57           HA       GLN  57  -7.504   7.532  15.171
  426   1HB   GLN  57          1HB       GLN  57  -7.295  10.549  14.732
  427   2HB   GLN  57          2HB       GLN  57  -8.767   9.635  15.055
  428   1HG   GLN  57          1HG       GLN  57  -8.230  10.571  17.125
  429   2HG   GLN  57          2HG       GLN  57  -7.729   8.893  17.264
  430   1HE2  GLN  57          2HE2      GLN  57  -5.603   8.531  17.962
  431   2HE2  GLN  57          1HE2      GLN  57  -4.347   9.747  17.997
  432    H    LEU  58           H        LEU  58  -6.166   6.532  13.184
  433    HA   LEU  58           HA       LEU  58  -7.900   7.204  10.845
  434   1HB   LEU  58          1HB       LEU  58  -5.524   7.625  10.326
  435   2HB   LEU  58          2HB       LEU  58  -5.090   6.016  10.892
  436    HG   LEU  58           HG       LEU  58  -6.288   4.973   9.045
  437   1HD1  LEU  58          1HD1      LEU  58  -7.212   6.527   7.191
  438   2HD1  LEU  58          2HD1      LEU  58  -8.202   6.339   8.630
  439   3HD1  LEU  58          3HD1      LEU  58  -7.209   7.803   8.406
  440   1HD2  LEU  58          1HD2      LEU  58  -4.871   5.799   7.212
  441   2HD2  LEU  58          2HD2      LEU  58  -4.545   7.292   8.111
  442   3HD2  LEU  58          3HD2      LEU  58  -3.967   5.727   8.720
  443    H    SER  59           H        SER  59  -9.061   5.419  10.078
  444    HA   SER  59           HA       SER  59  -9.109   3.165  11.985
  445   1HB   SER  59          1HB       SER  59 -11.314   4.259  10.208
  446   2HB   SER  59          2HB       SER  59 -11.473   3.044  11.489
  447    HG   SER  59           HG       SER  59 -12.046   5.155  12.195
  448    H    LEU  60           H        LEU  60  -7.719   1.640  11.001
  449    HA   LEU  60           HA       LEU  60  -8.197   0.765   8.213
  450   1HB   LEU  60          1HB       LEU  60  -6.667  -0.845  10.256
  451   2HB   LEU  60          2HB       LEU  60  -6.478  -0.802   8.515
  452    HG   LEU  60           HG       LEU  60  -5.540   1.238  10.543
  453   1HD1  LEU  60          1HD1      LEU  60  -3.298   0.530   9.851
  454   2HD1  LEU  60          2HD1      LEU  60  -4.243  -0.860  10.396
  455   3HD1  LEU  60          3HD1      LEU  60  -3.991  -0.588   8.660
  456   1HD2  LEU  60          1HD2      LEU  60  -6.156   2.500   8.557
  457   2HD2  LEU  60          2HD2      LEU  60  -4.400   2.406   8.667
  458   3HD2  LEU  60          3HD2      LEU  60  -5.268   1.357   7.518
  459    H    GLU  61           H        GLU  61 -10.078   0.629  10.824
  460    HA   GLU  61           HA       GLU  61 -10.291  -2.022  11.668
  461   1HB   GLU  61          1HB       GLU  61 -12.391   0.180  11.631
  462   2HB   GLU  61          2HB       GLU  61 -12.551  -1.348  12.509
  463   1HG   GLU  61          1HG       GLU  61 -10.458  -0.818  13.771
  464   2HG   GLU  61          2HG       GLU  61 -10.400   0.760  12.980
  465    H    GLY  62           H        GLY  62 -11.943  -0.561   8.828
  466   1HA   GLY  62          1HA       GLY  62 -13.544  -3.009   8.509
  467   2HA   GLY  62          2HA       GLY  62 -13.778  -1.457   7.701
  468    H    HIS  63           H        HIS  63 -10.477  -2.613   7.707
  469    HA   HIS  63           HA       HIS  63 -10.412  -3.064   4.846
  470   1HB   HIS  63          1HB       HIS  63  -8.368  -2.404   5.982
  471   2HB   HIS  63          2HB       HIS  63  -8.529  -3.729   7.140
  472    HD1  HIS  63           HD1      HIS  63  -7.930  -3.405   3.272
  473    HD2  HIS  63           HD2      HIS  63  -7.215  -5.906   6.590
  474    HE1  HIS  63           HE1      HIS  63  -6.639  -5.381   2.410
  475    H    CYS  64           H        CYS  64 -10.421  -5.046   3.787
  476    HA   CYS  64           HA       CYS  64 -10.715  -7.539   5.375
  477   1HB   CYS  64          1HB       CYS  64 -12.367  -6.659   2.970
  478   2HB   CYS  64          2HB       CYS  64 -12.277  -8.335   3.548
  479    HG   CYS  64           HG       CYS  64 -14.554  -7.259   4.279
  480    H    ALA  65           H        ALA  65  -9.042  -8.802   4.820
  481    HA   ALA  65           HA       ALA  65  -7.166  -8.057   2.859
  482   1HB   ALA  65          1HB       ALA  65  -7.639 -10.665   4.316
  483   2HB   ALA  65          2HB       ALA  65  -6.169 -10.310   3.376
  484   3HB   ALA  65          3HB       ALA  65  -6.566  -9.348   4.814
  485    H    ARG  66           H        ARG  66  -6.420  -9.192   0.995
  486    HA   ARG  66           HA       ARG  66  -8.507 -10.614  -0.610
  487   1HB   ARG  66          1HB       ARG  66  -7.378  -7.822  -1.140
  488   2HB   ARG  66          2HB       ARG  66  -8.015  -8.836  -2.439
  489   1HG   ARG  66          1HG       ARG  66 -10.190  -8.939  -1.426
  490   2HG   ARG  66          2HG       ARG  66  -9.633  -8.089   0.018
  491   1HD   ARG  66          1HD       ARG  66  -9.567  -6.812  -2.736
  492   2HD   ARG  66          2HD       ARG  66 -10.968  -6.736  -1.654
  493    HE   ARG  66           HE       ARG  66  -8.366  -5.867  -0.542
  494   1HH1  ARG  66          2HH2      ARG  66 -11.396  -4.738  -2.083
  495   2HH1  ARG  66          1HH2      ARG  66 -11.187  -3.125  -1.421
  496   1HH2  ARG  66          2HH1      ARG  66  -8.326  -3.762   0.417
  497   2HH2  ARG  66          1HH1      ARG  66  -9.565  -2.599  -0.077
  498    H    GLN  67           H        GLN  67  -7.389 -12.267  -1.555
  499    HA   GLN  67           HA       GLN  67  -4.505 -12.162  -1.985
  500   1HB   GLN  67          1HB       GLN  67  -5.627 -14.311  -1.568
  501   2HB   GLN  67          2HB       GLN  67  -6.688 -14.069  -2.961
  502   1HG   GLN  67          1HG       GLN  67  -4.843 -15.648  -3.435
  503   2HG   GLN  67          2HG       GLN  67  -4.816 -14.251  -4.495
  504   1HE2  GLN  67          1HE2      GLN  67  -2.687 -13.685  -4.899
  505   2HE2  GLN  67          2HE2      GLN  67  -1.383 -13.815  -3.707
  506    H    ILE  68           H        ILE  68  -3.595 -10.995  -3.490
  507    HA   ILE  68           HA       ILE  68  -5.122  -9.767  -5.584
  508    HB   ILE  68           HB       ILE  68  -3.023  -8.847  -4.558
  509   1HG1  ILE  68          1HG1      ILE  68  -3.092  -9.040  -7.597
  510   2HG1  ILE  68          2HG1      ILE  68  -4.161  -8.029  -6.619
  511   1HG2  ILE  68          1HG2      ILE  68  -1.509 -10.618  -6.515
  512   2HG2  ILE  68          2HG2      ILE  68  -0.855  -9.545  -5.262
  513   3HG2  ILE  68          3HG2      ILE  68  -1.702 -11.031  -4.805
  514   1HD1  ILE  68          1HD1      ILE  68  -2.236  -6.802  -5.733
  515   2HD1  ILE  68          2HD1      ILE  68  -1.144  -7.749  -6.777
  516   3HD1  ILE  68          3HD1      ILE  68  -2.363  -6.676  -7.497
  517    H    SER  69           H        SER  69  -5.166 -10.247  -7.740
  518    HA   SER  69           HA       SER  69  -4.272 -12.899  -8.696
  519   1HB   SER  69          1HB       SER  69  -6.560 -13.366  -9.483
  520   2HB   SER  69          2HB       SER  69  -6.571 -13.121  -7.721
  521    HG   SER  69           HG       SER  69  -8.248 -11.970  -8.660
  522    H    ARG  70           H        ARG  70  -4.485 -12.848 -11.223
  523    HA   ARG  70           HA       ARG  70  -3.460 -10.389 -12.216
  524   1HB   ARG  70          1HB       ARG  70  -3.084 -12.601 -13.255
  525   2HB   ARG  70          2HB       ARG  70  -4.772 -12.658 -13.783
  526   1HG   ARG  70          1HG       ARG  70  -4.445 -10.763 -15.250
  527   2HG   ARG  70          2HG       ARG  70  -2.833 -10.442 -14.589
  528   1HD   ARG  70          1HD       ARG  70  -2.014 -12.569 -15.485
  529   2HD   ARG  70          2HD       ARG  70  -3.628 -12.953 -16.117
  530    HE   ARG  70           HE       ARG  70  -3.125 -10.539 -17.279
  531   1HH1  ARG  70          1HH2      ARG  70  -1.237 -13.548 -17.179
  532   2HH1  ARG  70          2HH2      ARG  70  -0.522 -13.306 -18.728
  533   1HH2  ARG  70          1HH1      ARG  70  -2.224 -10.217 -19.297
  534   2HH2  ARG  70          2HH1      ARG  70  -1.090 -11.352 -19.977
  535    H    ARG  71           H        ARG  71  -6.848 -11.555 -12.016
  536    HA   ARG  71           HA       ARG  71  -8.063  -9.390 -13.420
  537   1HB   ARG  71          1HB       ARG  71  -9.016 -10.986 -11.000
  538   2HB   ARG  71          2HB       ARG  71 -10.004  -9.815 -11.882
  539   1HG   ARG  71          1HG       ARG  71  -9.778 -11.138 -13.959
  540   2HG   ARG  71          2HG       ARG  71  -8.747 -12.304 -13.119
  541   1HD   ARG  71          1HD       ARG  71 -10.981 -13.195 -13.283
  542   2HD   ARG  71          2HD       ARG  71 -10.607 -12.880 -11.595
  543    HE   ARG  71           HE       ARG  71 -12.433 -11.337 -13.383
  544   1HH1  ARG  71          1HH2      ARG  71 -11.340 -11.978 -10.060
  545   2HH1  ARG  71          2HH2      ARG  71 -12.598 -11.059  -9.324
  546   1HH2  ARG  71          1HH1      ARG  71 -14.106 -10.127 -12.399
  547   2HH2  ARG  71          2HH1      ARG  71 -14.208  -9.992 -10.686
  548    H    LEU  72           H        LEU  72  -7.320  -9.629  -9.854
  549    HA   LEU  72           HA       LEU  72  -8.130  -6.962  -9.344
  550   1HB   LEU  72          1HB       LEU  72  -6.507  -9.005  -7.870
  551   2HB   LEU  72          2HB       LEU  72  -6.201  -7.309  -7.474
  552    HG   LEU  72           HG       LEU  72  -8.591  -6.927  -7.115
  553   1HD1  LEU  72          1HD1      LEU  72  -8.871  -9.957  -7.306
  554   2HD1  LEU  72          2HD1      LEU  72 -10.126  -8.834  -6.744
  555   3HD1  LEU  72          3HD1      LEU  72  -9.584  -8.774  -8.423
  556   1HD2  LEU  72          1HD2      LEU  72  -8.683  -8.007  -4.902
  557   2HD2  LEU  72          2HD2      LEU  72  -7.408  -9.145  -5.383
  558   3HD2  LEU  72          3HD2      LEU  72  -7.051  -7.408  -5.229
  559    H    CYS  73           H        CYS  73  -4.857  -8.228 -10.249
  560    HA   CYS  73           HA       CYS  73  -3.469  -5.859  -9.901
  561   1HB   CYS  73          1HB       CYS  73  -3.155  -7.877 -12.183
  562   2HB   CYS  73          2HB       CYS  73  -1.958  -6.652 -11.746
  563    HG   CYS  73           HG       CYS  73  -1.492  -7.485  -9.342
  564    H    ARG  74           H        ARG  74  -5.555  -6.774 -12.694
  565    HA   ARG  74           HA       ARG  74  -4.797  -4.272 -14.084
  566   1HB   ARG  74          1HB       ARG  74  -6.585  -6.604 -14.872
  567   2HB   ARG  74          2HB       ARG  74  -6.156  -5.253 -15.929
  568   1HG   ARG  74          1HG       ARG  74  -3.779  -5.830 -15.830
  569   2HG   ARG  74          2HG       ARG  74  -4.084  -7.136 -14.686
  570   1HD   ARG  74          1HD       ARG  74  -5.077  -7.018 -17.552
  571   2HD   ARG  74          2HD       ARG  74  -3.746  -8.006 -16.917
  572    HE   ARG  74           HE       ARG  74  -5.976  -8.645 -15.370
  573   1HH1  ARG  74          1HH2      ARG  74  -4.818  -9.115 -18.706
  574   2HH1  ARG  74          2HH2      ARG  74  -6.002 -10.320 -19.092
  575   1HH2  ARG  74          1HH1      ARG  74  -7.544 -10.295 -15.897
  576   2HH2  ARG  74          2HH1      ARG  74  -7.498 -11.069 -17.432
  577    H    ASN  75           H        ASN  75  -7.304  -5.307 -11.922
  578    HA   ASN  75           HA       ASN  75  -9.449  -3.696 -12.855
  579   1HB   ASN  75          1HB       ASN  75  -9.697  -5.524 -11.204
  580   2HB   ASN  75          2HB       ASN  75  -8.778  -4.589 -10.020
  581   1HD2  ASN  75          2HD2      ASN  75  -9.914  -3.076  -8.747
  582   2HD2  ASN  75          1HD2      ASN  75 -11.595  -2.683  -9.005
  583    H    TYR  76           H        TYR  76  -6.491  -2.836 -11.192
  584    HA   TYR  76           HA       TYR  76  -7.511  -0.055 -10.888
  585   1HB   TYR  76          1HB       TYR  76  -5.320  -1.296  -9.217
  586   2HB   TYR  76          2HB       TYR  76  -6.081   0.265  -8.985
  587    HD1  TYR  76           HD1      TYR  76  -6.559  -3.379  -8.745
  588    HD2  TYR  76           HD2      TYR  76  -8.156   0.450  -7.634
  589    HE1  TYR  76           HE1      TYR  76  -8.158  -4.508  -7.234
  590    HE2  TYR  76           HE2      TYR  76  -9.796  -0.646  -6.172
  591    HH   TYR  76           HH       TYR  76 -10.623  -2.702  -5.353
  592    H    ASP  77           H        ASP  77  -5.906   1.627 -11.397
  593    HA   ASP  77           HA       ASP  77  -4.530   0.728 -13.852
  594   1HB   ASP  77          1HB       ASP  77  -6.124   2.591 -13.944
  595   2HB   ASP  77          2HB       ASP  77  -5.161   3.492 -12.768
  596    H    LEU  78           H        LEU  78  -3.674   1.732 -10.612
  597    HA   LEU  78           HA       LEU  78  -0.810   1.913 -11.378
  598   1HB   LEU  78          1HB       LEU  78  -2.223   4.166 -11.187
  599   2HB   LEU  78          2HB       LEU  78  -2.117   3.883  -9.466
  600    HG   LEU  78           HG       LEU  78  -0.475   5.476 -10.339
  601   1HD1  LEU  78          1HD1      LEU  78   1.024   3.034  -9.329
  602   2HD1  LEU  78          2HD1      LEU  78   1.454   4.744  -9.160
  603   3HD1  LEU  78          3HD1      LEU  78   0.043   4.117  -8.310
  604   1HD2  LEU  78          1HD2      LEU  78   1.257   4.968 -11.851
  605   2HD2  LEU  78          2HD2      LEU  78   0.972   3.216 -11.763
  606   3HD2  LEU  78          3HD2      LEU  78  -0.192   4.279 -12.581
  607    H    ILE  79           H        ILE  79   0.469   0.848  -9.872
  608    HA   ILE  79           HA       ILE  79  -0.977  -0.269  -7.511
  609    HB   ILE  79           HB       ILE  79   1.014  -1.707  -9.288
  610   1HG1  ILE  79          1HG1      ILE  79  -1.014  -1.374 -10.612
  611   2HG1  ILE  79          2HG1      ILE  79  -0.733  -3.055 -10.223
  612   1HG2  ILE  79          1HG2      ILE  79   1.027  -2.565  -7.017
  613   2HG2  ILE  79          2HG2      ILE  79  -0.742  -2.678  -7.005
  614   3HG2  ILE  79          3HG2      ILE  79   0.215  -3.730  -8.067
  615   1HD1  ILE  79          1HD1      ILE  79  -2.723  -1.302  -8.722
  616   2HD1  ILE  79          2HD1      ILE  79  -3.128  -2.361 -10.078
  617   3HD1  ILE  79          3HD1      ILE  79  -2.514  -3.064  -8.574
  618    H    LEU  80           H        LEU  80   0.173  -0.219  -5.619
  619    HA   LEU  80           HA       LEU  80   3.010   0.740  -5.708
  620   1HB   LEU  80          1HB       LEU  80   0.854   1.418  -3.661
  621   2HB   LEU  80          2HB       LEU  80   2.559   1.766  -3.495
  622    HG   LEU  80           HG       LEU  80   1.546   3.784  -4.058
  623   1HD1  LEU  80          1HD1      LEU  80   2.704   2.824  -6.699
  624   2HD1  LEU  80          2HD1      LEU  80   2.586   4.487  -6.116
  625   3HD1  LEU  80          3HD1      LEU  80   3.663   3.342  -5.296
  626   1HD2  LEU  80          1HD2      LEU  80   0.180   2.617  -6.486
  627   2HD2  LEU  80          2HD2      LEU  80  -0.582   2.879  -4.906
  628   3HD2  LEU  80          3HD2      LEU  80   0.046   4.256  -5.826
  629    H    THR  81           H        THR  81   4.374  -0.252  -4.123
  630    HA   THR  81           HA       THR  81   3.170  -2.295  -2.408
  631    HB   THR  81           HB       THR  81   3.396  -3.367  -4.623
  632    HG1  THR  81           1HG      THR  81   3.548  -4.511  -2.698
  633   1HG2  THR  81          1HG2      THR  81   6.401  -2.973  -4.289
  634   2HG2  THR  81          2HG2      THR  81   5.581  -3.942  -5.532
  635   3HG2  THR  81          3HG2      THR  81   5.384  -2.186  -5.515
  636    H    MET  82           H        MET  82   5.021  -3.418  -1.083
  637    HA   MET  82           HA       MET  82   6.284  -1.093   0.182
  638   1HB   MET  82          1HB       MET  82   5.618  -3.960   0.949
  639   2HB   MET  82          2HB       MET  82   6.677  -2.991   1.944
  640   1HG   MET  82          1HG       MET  82   4.369  -3.047   2.728
  641   2HG   MET  82          2HG       MET  82   4.969  -1.419   2.477
  642   1HE   MET  82          1HE       MET  82   4.375  -0.064   0.159
  643   2HE   MET  82          2HE       MET  82   2.631   0.161  -0.028
  644   3HE   MET  82          3HE       MET  82   3.384   0.385   1.560
  645    H    GLU  83           H        GLU  83   7.339  -3.960  -1.641
  646    HA   GLU  83           HA       GLU  83  10.179  -3.313  -0.973
  647   1HB   GLU  83          1HB       GLU  83   8.828  -6.042  -0.732
  648   2HB   GLU  83          2HB       GLU  83  10.556  -5.736  -0.577
  649   1HG   GLU  83          1HG       GLU  83  10.146  -4.323   1.420
  650   2HG   GLU  83          2HG       GLU  83   8.407  -4.599   1.272
  651    H    LYS  84           H        LYS  84  11.699  -4.145  -2.586
  652    HA   LYS  84           HA       LYS  84  10.573  -3.927  -5.239
  653   1HB   LYS  84          1HB       LYS  84  13.387  -4.606  -4.288
  654   2HB   LYS  84          2HB       LYS  84  12.917  -4.436  -5.986
  655   1HG   LYS  84          1HG       LYS  84  12.068  -2.112  -5.464
  656   2HG   LYS  84          2HG       LYS  84  12.778  -2.264  -3.849
  657   1HD   LYS  84          1HD       LYS  84  15.020  -2.507  -4.814
  658   2HD   LYS  84          2HD       LYS  84  14.337  -2.559  -6.455
  659   1HE   LYS  84          1HE       LYS  84  13.404  -0.256  -6.103
  660   2HE   LYS  84          2HE       LYS  84  14.226  -0.184  -4.537
  661   1HZ   LYS  84          1HZ       LYS  84  15.453   0.887  -6.378
  662   2HZ   LYS  84          2HZ       LYS  84  16.331  -0.319  -5.682
  663   3HZ   LYS  84          3HZ       LYS  84  15.610  -0.549  -7.133
  664    H    ARG  85           H        ARG  85  11.537  -6.732  -3.241
  665    HA   ARG  85           HA       ARG  85  11.266  -8.687  -5.283
  666   1HB   ARG  85          1HB       ARG  85  10.697 -10.267  -3.447
  667   2HB   ARG  85          2HB       ARG  85  12.190  -9.368  -3.194
  668   1HG   ARG  85          1HG       ARG  85  11.174  -7.948  -1.529
  669   2HG   ARG  85          2HG       ARG  85   9.556  -8.552  -1.904
  670   1HD   ARG  85          1HD       ARG  85  10.186 -10.797  -1.105
  671   2HD   ARG  85          2HD       ARG  85  11.812 -10.205  -0.710
  672    HE   ARG  85           HE       ARG  85  10.500  -8.481   0.755
  673   1HH1  ARG  85          1HH2      ARG  85   9.802 -11.961   0.539
  674   2HH1  ARG  85          2HH2      ARG  85   9.005 -12.011   2.066
  675   1HH2  ARG  85          1HH1      ARG  85   9.403  -8.494   2.624
  676   2HH2  ARG  85          2HH1      ARG  85   8.812  -9.974   3.341
  677    H    HIS  86           H        HIS  86   8.749  -6.800  -3.621
  678    HA   HIS  86           HA       HIS  86   6.609  -8.619  -4.452
  679   1HB   HIS  86          1HB       HIS  86   6.454  -5.748  -3.517
  680   2HB   HIS  86          2HB       HIS  86   5.115  -6.873  -3.681
  681    HD1  HIS  86           HD1      HIS  86   7.327  -9.059  -1.939
  682    HD2  HIS  86           HD2      HIS  86   5.299  -5.501  -1.003
  683    HE1  HIS  86           HE1      HIS  86   7.210  -8.938   0.599
  684    H    ILE  87           H        ILE  87   8.222  -5.642  -5.696
  685    HA   ILE  87           HA       ILE  87   6.372  -5.062  -7.781
  686    HB   ILE  87           HB       ILE  87   9.405  -4.726  -7.836
  687   1HG1  ILE  87          1HG1      ILE  87   7.301  -2.719  -6.917
  688   2HG1  ILE  87          2HG1      ILE  87   8.373  -3.615  -5.842
  689   1HG2  ILE  87          1HG2      ILE  87   8.219  -4.460 -10.065
  690   2HG2  ILE  87          2HG2      ILE  87   7.336  -3.099  -9.342
  691   3HG2  ILE  87          3HG2      ILE  87   9.097  -3.043  -9.519
  692   1HD1  ILE  87          1HD1      ILE  87   9.114  -1.439  -7.805
  693   2HD1  ILE  87          2HD1      ILE  87   9.353  -1.523  -6.051
  694   3HD1  ILE  87          3HD1      ILE  87  10.329  -2.547  -7.119
  695    H    GLU  88           H        GLU  88   9.263  -7.229  -7.651
  696    HA   GLU  88           HA       GLU  88   9.079  -8.098 -10.336
  697   1HB   GLU  88          1HB       GLU  88  11.035  -8.378  -8.830
  698   2HB   GLU  88          2HB       GLU  88  10.156  -9.610  -7.915
  699   1HG   GLU  88          1HG       GLU  88  10.027 -11.039  -9.926
  700   2HG   GLU  88          2HG       GLU  88  10.801  -9.780 -10.891
  701    H    ARG  89           H        ARG  89   7.577  -9.443  -7.349
  702    HA   ARG  89           HA       ARG  89   6.321 -11.659  -8.685
  703   1HB   ARG  89          1HB       ARG  89   5.710 -10.225  -6.072
  704   2HB   ARG  89          2HB       ARG  89   4.857 -11.677  -6.624
  705   1HG   ARG  89          1HG       ARG  89   6.932 -12.968  -6.654
  706   2HG   ARG  89          2HG       ARG  89   7.876 -11.541  -6.206
  707   1HD   ARG  89          1HD       ARG  89   6.648 -11.394  -4.059
  708   2HD   ARG  89          2HD       ARG  89   5.716 -12.843  -4.505
  709    HE   ARG  89           HE       ARG  89   8.539 -13.336  -4.666
  710   1HH1  ARG  89          1HH2      ARG  89   5.926 -13.029  -2.281
  711   2HH1  ARG  89          2HH2      ARG  89   6.702 -14.015  -1.097
  712   1HH2  ARG  89          1HH1      ARG  89   9.572 -14.646  -3.089
  713   2HH2  ARG  89          2HH1      ARG  89   8.821 -14.955  -1.572
  714    H    LEU  90           H        LEU  90   5.208  -8.271  -8.101
  715    HA   LEU  90           HA       LEU  90   2.576  -8.686  -9.126
  716   1HB   LEU  90          1HB       LEU  90   4.319  -6.365  -8.497
  717   2HB   LEU  90          2HB       LEU  90   3.300  -6.079  -9.886
  718    HG   LEU  90           HG       LEU  90   2.254  -5.235  -7.899
  719   1HD1  LEU  90          1HD1      LEU  90   0.836  -6.131  -9.745
  720   2HD1  LEU  90          2HD1      LEU  90   0.682  -7.658  -8.850
  721   3HD1  LEU  90          3HD1      LEU  90   0.058  -6.150  -8.158
  722   1HD2  LEU  90          1HD2      LEU  90   3.237  -6.782  -6.244
  723   2HD2  LEU  90          2HD2      LEU  90   1.489  -6.617  -6.078
  724   3HD2  LEU  90          3HD2      LEU  90   2.166  -8.076  -6.828
  725    H    CYS  91           H        CYS  91   5.676  -7.851 -10.748
  726    HA   CYS  91           HA       CYS  91   4.534  -7.502 -13.345
  727   1HB   CYS  91          1HB       CYS  91   7.346  -8.386 -12.544
  728   2HB   CYS  91          2HB       CYS  91   6.848  -7.856 -14.159
  729    HG   CYS  91           HG       CYS  91   6.731  -6.187 -11.297
  730    H    GLU  92           H        GLU  92   5.777 -10.419 -11.617
  731    HA   GLU  92           HA       GLU  92   5.416 -12.200 -13.805
  732   1HB   GLU  92          1HB       GLU  92   6.830 -12.625 -11.813
  733   2HB   GLU  92          2HB       GLU  92   5.381 -12.775 -10.811
  734   1HG   GLU  92          1HG       GLU  92   4.640 -14.721 -12.132
  735   2HG   GLU  92          2HG       GLU  92   6.012 -14.525 -13.226
  736    H    MET  93           H        MET  93   3.224 -11.228 -11.101
  737    HA   MET  93           HA       MET  93   1.104 -13.017 -11.748
  738   1HB   MET  93          1HB       MET  93   1.200 -10.350 -10.286
  739   2HB   MET  93          2HB       MET  93  -0.296 -11.246 -10.491
  740   1HG   MET  93          1HG       MET  93   2.192 -12.392  -9.179
  741   2HG   MET  93          2HG       MET  93   0.875 -11.631  -8.298
  742   1HE   MET  93          1HE       MET  93  -1.812 -12.668  -9.520
  743   2HE   MET  93          2HE       MET  93  -2.050 -14.145  -8.561
  744   3HE   MET  93          3HE       MET  93  -1.410 -12.682  -7.786
  745    H    ALA  94           H        ALA  94   1.806  -9.675 -12.892
  746    HA   ALA  94           HA       ALA  94  -0.095 -10.117 -15.135
  747   1HB   ALA  94          1HB       ALA  94  -1.148  -7.926 -14.716
  748   2HB   ALA  94          2HB       ALA  94  -1.417  -9.047 -13.364
  749   3HB   ALA  94          3HB       ALA  94  -0.211  -7.755 -13.212
  750    HA   PRO  95           HA       PRO  95   3.904  -8.335 -16.613
  751   1HB   PRO  95          1HB       PRO  95   2.698  -9.447 -19.146
  752   2HB   PRO  95          2HB       PRO  95   4.408  -9.457 -18.604
  753   1HG   PRO  95          1HG       PRO  95   2.879 -11.692 -18.369
  754   2HG   PRO  95          2HG       PRO  95   3.978 -11.205 -17.036
  755   1HD   PRO  95          1HD       PRO  95   0.991 -10.778 -17.258
  756   2HD   PRO  95          2HD       PRO  95   1.961 -11.307 -15.848
  757    H    GLU  96           H        GLU  96   0.546  -7.963 -17.817
  758    HA   GLU  96           HA       GLU  96   0.906  -5.671 -19.425
  759   1HB   GLU  96          1HB       GLU  96  -1.456  -6.477 -17.663
  760   2HB   GLU  96          2HB       GLU  96  -1.515  -5.301 -18.989
  761   1HG   GLU  96          1HG       GLU  96  -0.882  -7.063 -20.602
  762   2HG   GLU  96          2HG       GLU  96  -0.746  -8.231 -19.282
  763    H    MET  97           H        MET  97   0.962  -6.040 -15.964
  764    HA   MET  97           HA       MET  97   0.793  -3.106 -15.495
  765   1HB   MET  97          1HB       MET  97   0.663  -5.410 -13.509
  766   2HB   MET  97          2HB       MET  97   0.480  -3.702 -13.126
  767   1HG   MET  97          1HG       MET  97  -1.369  -5.377 -14.858
  768   2HG   MET  97          2HG       MET  97  -1.697  -4.784 -13.240
  769   1HE   MET  97          1HE       MET  97  -2.532  -2.366 -12.645
  770   2HE   MET  97          2HE       MET  97  -0.926  -1.793 -13.117
  771   3HE   MET  97          3HE       MET  97  -2.379  -0.985 -13.741
  772    H    ARG  98           H        ARG  98   3.211  -5.136 -16.350
  773    HA   ARG  98           HA       ARG  98   5.279  -4.577 -14.445
  774   1HB   ARG  98          1HB       ARG  98   5.432  -6.262 -16.256
  775   2HB   ARG  98          2HB       ARG  98   5.387  -4.973 -17.468
  776   1HG   ARG  98          1HG       ARG  98   7.560  -4.114 -16.680
  777   2HG   ARG  98          2HG       ARG  98   7.570  -5.299 -15.366
  778   1HD   ARG  98          1HD       ARG  98   8.987  -6.118 -17.150
  779   2HD   ARG  98          2HD       ARG  98   7.548  -7.144 -17.024
  780    HE   ARG  98           HE       ARG  98   7.379  -4.951 -18.971
  781   1HH1  ARG  98          1HH2      ARG  98   8.296  -8.353 -18.527
  782   2HH1  ARG  98          2HH2      ARG  98   8.088  -8.772 -20.186
  783   1HH2  ARG  98          1HH1      ARG  98   7.093  -5.510 -21.180
  784   2HH2  ARG  98          2HH1      ARG  98   7.401  -7.113 -21.726
  785    H    GLY  99           H        GLY  99   6.252  -2.642 -13.989
  786   1HA   GLY  99          1HA       GLY  99   6.986  -0.476 -14.248
  787   2HA   GLY  99          2HA       GLY  99   6.353  -0.443 -15.897
  788    H    LYS 100           H        LYS 100   3.682  -1.465 -14.263
  789    HA   LYS 100           HA       LYS 100   2.711   1.277 -13.609
  790   1HB   LYS 100          1HB       LYS 100   1.175  -1.340 -13.794
  791   2HB   LYS 100          2HB       LYS 100   0.479   0.252 -13.558
  792   1HG   LYS 100          1HG       LYS 100   1.967  -0.665 -16.063
  793   2HG   LYS 100          2HG       LYS 100   0.226  -0.648 -15.879
  794   1HD   LYS 100          1HD       LYS 100   1.995   1.833 -15.733
  795   2HD   LYS 100          2HD       LYS 100   1.162   1.292 -17.179
  796   1HE   LYS 100          1HE       LYS 100  -0.226   2.073 -14.572
  797   2HE   LYS 100          2HE       LYS 100  -0.018   3.138 -15.964
  798   1HZ   LYS 100          1HZ       LYS 100  -2.208   2.078 -15.921
  799   2HZ   LYS 100          2HZ       LYS 100  -1.382   1.643 -17.270
  800   3HZ   LYS 100          3HZ       LYS 100  -1.539   0.603 -16.007
  801    H    VAL 101           H        VAL 101   3.956  -1.614 -12.147
  802    HA   VAL 101           HA       VAL 101   2.948  -0.834  -9.500
  803    HB   VAL 101           HB       VAL 101   2.872  -3.154  -9.954
  804   1HG1  VAL 101          1HG1      VAL 101   4.331  -3.639 -11.711
  805   2HG1  VAL 101          2HG1      VAL 101   5.747  -2.992 -10.871
  806   3HG1  VAL 101          3HG1      VAL 101   5.009  -4.510 -10.339
  807   1HG2  VAL 101          1HG2      VAL 101   4.205  -4.049  -8.096
  808   2HG2  VAL 101          2HG2      VAL 101   5.245  -2.627  -8.118
  809   3HG2  VAL 101          3HG2      VAL 101   3.532  -2.471  -7.668
  810    H    MET 102           H        MET 102   4.283   0.124  -7.917
  811    HA   MET 102           HA       MET 102   7.149   0.523  -8.557
  812   1HB   MET 102          1HB       MET 102   5.167   2.800  -8.055
  813   2HB   MET 102          2HB       MET 102   6.910   2.953  -7.846
  814   1HG   MET 102          1HG       MET 102   6.829   3.677  -9.966
  815   2HG   MET 102          2HG       MET 102   7.036   1.955 -10.262
  816   1HE   MET 102          1HE       MET 102   3.201   4.448 -10.968
  817   2HE   MET 102          2HE       MET 102   3.796   4.163  -9.323
  818   3HE   MET 102          3HE       MET 102   4.780   5.089 -10.487
  819    H    LEU 103           H        LEU 103   8.419   1.203  -6.755
  820    HA   LEU 103           HA       LEU 103   7.632   0.028  -4.256
  821   1HB   LEU 103          1HB       LEU 103  10.045   0.321  -5.184
  822   2HB   LEU 103          2HB       LEU 103   9.891   2.021  -4.795
  823    HG   LEU 103           HG       LEU 103   9.492   1.380  -2.377
  824   1HD1  LEU 103          1HD1      LEU 103   8.681  -0.930  -2.648
  825   2HD1  LEU 103          2HD1      LEU 103  10.217  -1.405  -3.405
  826   3HD1  LEU 103          3HD1      LEU 103  10.159  -0.925  -1.696
  827   1HD2  LEU 103          1HD2      LEU 103  11.709   2.053  -3.212
  828   2HD2  LEU 103          2HD2      LEU 103  11.848   0.840  -1.932
  829   3HD2  LEU 103          3HD2      LEU 103  12.078   0.365  -3.628
  830    H    PHE 104           H        PHE 104   6.442   0.993  -2.636
  831    HA   PHE 104           HA       PHE 104   5.388   3.549  -3.005
  832   1HB   PHE 104          1HB       PHE 104   4.518   1.585  -1.618
  833   2HB   PHE 104          2HB       PHE 104   5.596   2.117  -0.330
  834    HD1  PHE 104           HD1      PHE 104   4.234   3.057   1.368
  835    HD2  PHE 104           HD2      PHE 104   3.331   3.947  -2.743
  836    HE1  PHE 104           HE1      PHE 104   2.294   4.450   2.084
  837    HE2  PHE 104           HE2      PHE 104   1.443   5.346  -2.043
  838    HZ   PHE 104           HZ       PHE 104   0.856   5.539   0.361
  839    H    GLY 105           H        GLY 105   8.271   2.565  -1.151
  840   1HA   GLY 105          1HA       GLY 105   8.672   5.263  -0.074
  841   2HA   GLY 105          2HA       GLY 105   9.704   3.858   0.161
  842    H    HIS 106           H        HIS 106   8.836   4.561  -3.177
  843    HA   HIS 106           HA       HIS 106  11.421   4.756  -4.142
  844   1HB   HIS 106          1HB       HIS 106   9.650   4.334  -5.631
  845   2HB   HIS 106          2HB       HIS 106   8.787   5.804  -5.170
  846    HD1  HIS 106           HD1      HIS 106  12.000   4.819  -7.189
  847    HD2  HIS 106           HD2      HIS 106   9.225   7.953  -6.576
  848    HE1  HIS 106           HE1      HIS 106  12.519   6.598  -8.916
  849    H    TRP 107           H        TRP 107   9.264   7.502  -3.231
  850    HA   TRP 107           HA       TRP 107  10.994   9.562  -4.033
  851   1HB   TRP 107          1HB       TRP 107   9.115   9.701  -1.652
  852   2HB   TRP 107          2HB       TRP 107   9.600  11.008  -2.722
  853    HD1  TRP 107           HD1      TRP 107   7.006   8.371  -2.238
  854    HE1  TRP 107           HE1      TRP 107   5.295   8.388  -4.102
  855    HE3  TRP 107           HE3      TRP 107   9.434  11.473  -5.527
  856    HZ2  TRP 107           HZ2      TRP 107   4.968   9.615  -6.715
  857    HZ3  TRP 107           HZ3      TRP 107   8.390  12.033  -7.708
  858    HH2  TRP 107           HH2      TRP 107   6.151  11.112  -8.304
  859    H    ASP 108           H        ASP 108  10.956   7.667  -1.036
  860    HA   ASP 108           HA       ASP 108  12.967   9.396   0.266
  861   1HB   ASP 108          1HB       ASP 108  11.002   8.451   1.520
  862   2HB   ASP 108          2HB       ASP 108  11.654   6.831   1.256
  863    H    ASN 109           H        ASN 109  14.079   8.754  -1.937
  864    HA   ASN 109           HA       ASN 109  15.840   7.712  -2.937
  865   1HB   ASN 109          1HB       ASN 109  16.895   8.888  -1.053
  866   2HB   ASN 109          2HB       ASN 109  16.704   7.453  -0.044
  867   1HD2  ASN 109          2HD2      ASN 109  18.837   7.033   0.337
  868   2HD2  ASN 109          1HD2      ASN 109  20.005   6.608  -0.895
  869    H    GLU 110           H        GLU 110  13.720   6.078  -2.906
  870    HA   GLU 110           HA       GLU 110  12.918   3.998  -2.887
  871   1HB   GLU 110          1HB       GLU 110  15.673   3.263  -3.923
  872   2HB   GLU 110          2HB       GLU 110  14.151   2.386  -4.166
  873   1HG   GLU 110          1HG       GLU 110  13.311   4.695  -5.121
  874   2HG   GLU 110          2HG       GLU 110  15.029   5.014  -5.348
  875    H    CYS 111           H        CYS 111  13.583   4.615  -0.290
  876    HA   CYS 111           HA       CYS 111  14.758   2.311   1.022
  877   1HB   CYS 111          1HB       CYS 111  12.833   4.512   1.844
  878   2HB   CYS 111          2HB       CYS 111  13.272   3.178   2.940
  879    HG   CYS 111           HG       CYS 111  15.111   5.462   1.473
  880    H    GLU 112           H        GLU 112  13.892   0.279   1.066
  881    HA   GLU 112           HA       GLU 112  11.134  -0.251   0.241
  882   1HB   GLU 112          1HB       GLU 112  13.257  -2.015   1.554
  883   2HB   GLU 112          2HB       GLU 112  11.694  -2.572   0.941
  884   1HG   GLU 112          1HG       GLU 112  12.316  -1.851  -1.346
  885   2HG   GLU 112          2HG       GLU 112  13.886  -1.299  -0.762
  886    H    ILE 113           H        ILE 113   9.453  -0.911   1.699
  887    HA   ILE 113           HA       ILE 113   9.586   0.468   4.265
  888    HB   ILE 113           HB       ILE 113   7.386  -1.336   3.235
  889   1HG1  ILE 113          1HG1      ILE 113   7.703   0.317   1.474
  890   2HG1  ILE 113          2HG1      ILE 113   6.209   0.602   2.332
  891   1HG2  ILE 113          1HG2      ILE 113   7.335   0.956   5.241
  892   2HG2  ILE 113          2HG2      ILE 113   5.935   0.008   4.700
  893   3HG2  ILE 113          3HG2      ILE 113   7.223  -0.772   5.608
  894   1HD1  ILE 113          1HD1      ILE 113   7.206   2.503   3.528
  895   2HD1  ILE 113          2HD1      ILE 113   8.780   2.191   2.749
  896   3HD1  ILE 113          3HD1      ILE 113   7.383   2.693   1.780
  897    HA   PRO 114           HA       PRO 114  11.022  -3.307   6.413
  898   1HB   PRO 114          1HB       PRO 114   9.663  -2.053   8.777
  899   2HB   PRO 114          2HB       PRO 114  11.316  -2.711   8.647
  900   1HG   PRO 114          1HG       PRO 114  10.861  -0.018   8.658
  901   2HG   PRO 114          2HG       PRO 114  12.120  -0.747   7.610
  902   1HD   PRO 114          1HD       PRO 114   9.338   0.156   6.847
  903   2HD   PRO 114          2HD       PRO 114  10.883   0.360   5.974
  904    H    ASP 115           H        ASP 115   9.906  -5.026   7.870
  905    HA   ASP 115           HA       ASP 115   7.037  -5.318   7.067
  906   1HB   ASP 115          1HB       ASP 115   8.337  -6.850   5.804
  907   2HB   ASP 115          2HB       ASP 115   9.225  -7.384   7.238
  908    HA   PRO 116           HA       PRO 116   7.089  -5.398  11.617
  909   1HB   PRO 116          1HB       PRO 116   4.807  -4.090  12.141
  910   2HB   PRO 116          2HB       PRO 116   6.151  -3.233  11.342
  911   1HG   PRO 116          1HG       PRO 116   3.735  -4.523  10.023
  912   2HG   PRO 116          2HG       PRO 116   4.351  -2.858   9.795
  913   1HD   PRO 116          1HD       PRO 116   5.020  -4.985   8.149
  914   2HD   PRO 116          2HD       PRO 116   6.130  -3.616   8.450
  915    H    TYR 117           H        TYR 117   5.253  -7.308   9.482
  916    HA   TYR 117           HA       TYR 117   2.914  -7.991  10.482
  917   1HB   TYR 117          1HB       TYR 117   3.880  -8.845   8.454
  918   2HB   TYR 117          2HB       TYR 117   5.062  -9.800   9.344
  919    HD1  TYR 117           HD1      TYR 117   4.482 -11.934  10.308
  920    HD2  TYR 117           HD2      TYR 117   1.500  -9.484   8.405
  921    HE1  TYR 117           HE1      TYR 117   2.917 -13.853  10.331
  922    HE2  TYR 117           HE2      TYR 117  -0.082 -11.405   8.384
  923    HH   TYR 117           HH       TYR 117  -0.411 -13.641   8.973
  924    H    ARG 118           H        ARG 118   5.921  -9.267  11.991
  925    HA   ARG 118           HA       ARG 118   4.210 -10.380  14.169
  926   1HB   ARG 118          1HB       ARG 118   5.719 -12.282  14.384
  927   2HB   ARG 118          2HB       ARG 118   4.940 -12.229  12.810
  928   1HG   ARG 118          1HG       ARG 118   7.006 -11.355  11.771
  929   2HG   ARG 118          2HG       ARG 118   7.810 -11.329  13.357
  930   1HD   ARG 118          1HD       ARG 118   7.536 -13.767  13.553
  931   2HD   ARG 118          2HD       ARG 118   6.679 -13.813  11.997
  932    HE   ARG 118           HE       ARG 118   9.127 -12.581  11.480
  933   1HH1  ARG 118          1HH2      ARG 118   8.054 -15.760  12.638
  934   2HH1  ARG 118          2HH2      ARG 118   9.410 -16.612  11.999
  935   1HH2  ARG 118          1HH1      ARG 118  10.942 -13.714  10.628
  936   2HH2  ARG 118          2HH1      ARG 118  11.085 -15.417  10.830
  937    H    LYS 119           H        LYS 119   5.542  -7.734  13.960
  938    HA   LYS 119           HA       LYS 119   7.586  -7.989  16.134
  939   1HB   LYS 119          1HB       LYS 119   7.233  -5.833  14.011
  940   2HB   LYS 119          2HB       LYS 119   8.504  -5.884  15.228
  941   1HG   LYS 119          1HG       LYS 119   8.154  -7.896  12.960
  942   2HG   LYS 119          2HG       LYS 119   9.310  -6.569  13.014
  943   1HD   LYS 119          1HD       LYS 119  10.358  -7.578  15.053
  944   2HD   LYS 119          2HD       LYS 119   9.265  -8.971  14.892
  945   1HE   LYS 119          1HE       LYS 119  10.164  -9.426  12.629
  946   2HE   LYS 119          2HE       LYS 119  11.228  -8.020  12.759
  947   1HZ   LYS 119          1HZ       LYS 119  12.351  -9.113  14.607
  948   2HZ   LYS 119          2HZ       LYS 119  11.370 -10.416  14.500
  949   3HZ   LYS 119          3HZ       LYS 119  12.397 -10.061  13.287
  950    H    SER 120           H        SER 120   7.756  -5.960  17.482
  951    HA   SER 120           HA       SER 120   5.328  -5.579  18.875
  952   1HB   SER 120          1HB       SER 120   7.826  -3.841  18.991
  953   2HB   SER 120          2HB       SER 120   6.648  -4.123  20.286
  954    HG   SER 120           HG       SER 120   8.532  -5.400  20.538
  955    H    ARG 121           H        ARG 121   4.323  -3.419  19.417
  956    HA   ARG 121           HA       ARG 121   3.380  -2.185  17.057
  957   1HB   ARG 121          1HB       ARG 121   2.081  -0.740  18.354
  958   2HB   ARG 121          2HB       ARG 121   2.094  -2.285  19.191
  959   1HG   ARG 121          1HG       ARG 121   3.714  -1.404  20.834
  960   2HG   ARG 121          2HG       ARG 121   3.787   0.145  19.980
  961   1HD   ARG 121          1HD       ARG 121   1.262  -1.042  21.187
  962   2HD   ARG 121          2HD       ARG 121   2.290   0.146  21.992
  963    HE   ARG 121           HE       ARG 121   1.829   1.594  19.892
  964   1HH1  ARG 121          1HH1      ARG 121  -0.567  -0.515  21.441
  965   2HH1  ARG 121          2HH1      ARG 121  -1.908   0.495  21.060
  966   1HH2  ARG 121          2HH2      ARG 121   0.058   2.966  19.420
  967   2HH2  ARG 121          1HH2      ARG 121  -1.562   2.419  19.696
  968    H    GLU 122           H        GLU 122   6.209  -1.358  18.995
  969    HA   GLU 122           HA       GLU 122   6.572   1.288  18.021
  970   1HB   GLU 122          1HB       GLU 122   7.804   0.129  19.913
  971   2HB   GLU 122          2HB       GLU 122   8.686  -0.801  18.706
  972   1HG   GLU 122          1HG       GLU 122  10.093   0.994  19.404
  973   2HG   GLU 122          2HG       GLU 122   9.585   1.362  17.764
  974    H    THR 123           H        THR 123   7.206  -1.912  16.538
  975    HA   THR 123           HA       THR 123   8.758  -0.777  14.330
  976    HB   THR 123           HB       THR 123   7.438  -3.514  14.518
  977    HG1  THR 123           1HG      THR 123   8.865  -3.166  16.279
  978   1HG2  THR 123          1HG2      THR 123   9.258  -4.175  12.973
  979   2HG2  THR 123          2HG2      THR 123   8.273  -2.894  12.255
  980   3HG2  THR 123          3HG2      THR 123   9.857  -2.503  12.946
  981    H    PHE 124           H        PHE 124   5.330  -1.808  14.941
  982    HA   PHE 124           HA       PHE 124   4.401  -1.184  12.299
  983   1HB   PHE 124          1HB       PHE 124   3.049  -1.327  15.001
  984   2HB   PHE 124          2HB       PHE 124   2.197  -0.725  13.593
  985    HD1  PHE 124           HD1      PHE 124   1.596  -2.156  11.709
  986    HD2  PHE 124           HD2      PHE 124   3.636  -3.750  15.166
  987    HE1  PHE 124           HE1      PHE 124   0.966  -4.456  11.032
  988    HE2  PHE 124           HE2      PHE 124   2.985  -6.037  14.484
  989    HZ   PHE 124           HZ       PHE 124   1.645  -6.402  12.430
  990    H    ALA 125           H        ALA 125   4.950   0.913  15.195
  991    HA   ALA 125           HA       ALA 125   3.794   3.245  14.021
  992   1HB   ALA 125          1HB       ALA 125   5.937   3.033  16.176
  993   2HB   ALA 125          2HB       ALA 125   4.937   4.451  15.812
  994   3HB   ALA 125          3HB       ALA 125   4.179   2.977  16.446
  995    H    ALA 126           H        ALA 126   7.208   2.057  14.061
  996    HA   ALA 126           HA       ALA 126   8.316   4.228  12.580
  997   1HB   ALA 126          1HB       ALA 126   9.117   1.278  12.586
  998   2HB   ALA 126          2HB       ALA 126  10.110   2.635  12.016
  999   3HB   ALA 126          3HB       ALA 126   9.679   2.516  13.734
 1000    H    VAL 127           H        VAL 127   6.859   1.121  11.465
 1001    HA   VAL 127           HA       VAL 127   7.160   1.691   8.684
 1002    HB   VAL 127           HB       VAL 127   5.367  -0.174  10.278
 1003   1HG1  VAL 127          1HG1      VAL 127   5.568   0.091   7.252
 1004   2HG1  VAL 127          2HG1      VAL 127   4.948  -1.348   8.085
 1005   3HG1  VAL 127          3HG1      VAL 127   4.105   0.196   8.253
 1006   1HG2  VAL 127          1HG2      VAL 127   6.915  -1.871   9.456
 1007   2HG2  VAL 127          2HG2      VAL 127   7.726  -0.692   8.411
 1008   3HG2  VAL 127          3HG2      VAL 127   7.871  -0.584  10.176
 1009    H    TYR 128           H        TYR 128   4.367   2.349  10.940
 1010    HA   TYR 128           HA       TYR 128   2.674   3.444   8.978
 1011   1HB   TYR 128          1HB       TYR 128   2.027   2.885  11.310
 1012   2HB   TYR 128          2HB       TYR 128   2.949   4.262  11.901
 1013    HD1  TYR 128           HD1      TYR 128  -0.250   3.138  10.715
 1014    HD2  TYR 128           HD2      TYR 128   2.256   6.640  11.017
 1015    HE1  TYR 128           HE1      TYR 128  -2.222   4.591  10.338
 1016    HE2  TYR 128           HE2      TYR 128   0.326   8.081  10.567
 1017    HH   TYR 128           HH       TYR 128  -1.992   8.170  10.236
 1018    H    THR 129           H        THR 129   5.268   5.053  10.927
 1019    HA   THR 129           HA       THR 129   4.747   7.671   9.939
 1020    HB   THR 129           HB       THR 129   7.388   6.479  10.904
 1021    HG1  THR 129           1HG      THR 129   5.835   6.114  12.452
 1022   1HG2  THR 129          1HG2      THR 129   6.334   9.346  10.933
 1023   2HG2  THR 129          2HG2      THR 129   7.842   8.788  11.698
 1024   3HG2  THR 129          3HG2      THR 129   7.670   8.728   9.939
 1025    H    LEU 130           H        LEU 130   6.939   5.068   8.735
 1026    HA   LEU 130           HA       LEU 130   8.012   6.630   6.594
 1027   1HB   LEU 130          1HB       LEU 130   9.066   4.627   7.579
 1028   2HB   LEU 130          2HB       LEU 130   7.754   3.617   6.971
 1029    HG   LEU 130           HG       LEU 130   8.425   4.030   4.666
 1030   1HD1  LEU 130          1HD1      LEU 130  10.610   5.811   5.836
 1031   2HD1  LEU 130          2HD1      LEU 130  10.554   5.245   4.153
 1032   3HD1  LEU 130          3HD1      LEU 130   9.292   6.320   4.745
 1033   1HD2  LEU 130          1HD2      LEU 130  10.779   3.285   6.437
 1034   2HD2  LEU 130          2HD2      LEU 130   9.449   2.223   5.935
 1035   3HD2  LEU 130          3HD2      LEU 130  10.575   2.855   4.721
 1036    H    LEU 131           H        LEU 131   5.197   4.425   6.802
 1037    HA   LEU 131           HA       LEU 131   4.475   4.585   4.021
 1038   1HB   LEU 131          1HB       LEU 131   2.865   3.942   6.531
 1039   2HB   LEU 131          2HB       LEU 131   2.192   3.881   4.910
 1040    HG   LEU 131           HG       LEU 131   4.493   2.133   5.890
 1041   1HD1  LEU 131          1HD1      LEU 131   2.286   1.593   6.900
 1042   2HD1  LEU 131          2HD1      LEU 131   1.597   1.448   5.262
 1043   3HD1  LEU 131          3HD1      LEU 131   2.857   0.322   5.810
 1044   1HD2  LEU 131          1HD2      LEU 131   3.033   2.242   3.238
 1045   2HD2  LEU 131          2HD2      LEU 131   4.777   2.439   3.538
 1046   3HD2  LEU 131          3HD2      LEU 131   4.012   0.863   3.768
 1047    H    GLU 132           H        GLU 132   3.638   6.589   6.897
 1048    HA   GLU 132           HA       GLU 132   1.682   8.178   5.584
 1049   1HB   GLU 132          1HB       GLU 132   1.905   8.071   8.015
 1050   2HB   GLU 132          2HB       GLU 132   3.518   8.790   7.939
 1051   1HG   GLU 132          1HG       GLU 132   2.562  10.882   7.040
 1052   2HG   GLU 132          2HG       GLU 132   0.953  10.157   7.045
 1053    H    ARG 133           H        ARG 133   5.234   8.709   6.040
 1054    HA   ARG 133           HA       ARG 133   5.407  11.079   4.472
 1055   1HB   ARG 133          1HB       ARG 133   7.399   8.795   4.885
 1056   2HB   ARG 133          2HB       ARG 133   7.774  10.271   3.982
 1057   1HG   ARG 133          1HG       ARG 133   7.293  11.651   5.954
 1058   2HG   ARG 133          2HG       ARG 133   6.830  10.205   6.863
 1059   1HD   ARG 133          1HD       ARG 133   9.094  10.930   7.458
 1060   2HD   ARG 133          2HD       ARG 133   9.091   9.324   6.734
 1061    HE   ARG 133           HE       ARG 133   9.858  11.860   5.329
 1062   1HH1  ARG 133          1HH2      ARG 133  10.452   8.397   5.874
 1063   2HH1  ARG 133          2HH2      ARG 133  11.739   8.287   4.713
 1064   1HH2  ARG 133          1HH1      ARG 133  11.650  11.736   3.890
 1065   2HH2  ARG 133          2HH1      ARG 133  12.475  10.229   3.635
 1066    H    SER 134           H        SER 134   5.673   7.661   3.475
 1067    HA   SER 134           HA       SER 134   6.183   8.153   0.737
 1068   1HB   SER 134          1HB       SER 134   4.723   5.798   2.001
 1069   2HB   SER 134          2HB       SER 134   5.436   5.836   0.383
 1070    HG   SER 134           HG       SER 134   6.745   5.989   2.909
 1071    H    ALA 135           H        ALA 135   3.022   7.614   2.411
 1072    HA   ALA 135           HA       ALA 135   1.421   7.900   0.097
 1073   1HB   ALA 135          1HB       ALA 135   0.627   6.924   2.249
 1074   2HB   ALA 135          2HB       ALA 135   0.736   8.527   3.005
 1075   3HB   ALA 135          3HB       ALA 135  -0.425   8.237   1.691
 1076    H    ARG 136           H        ARG 136   2.604  10.372   2.458
 1077    HA   ARG 136           HA       ARG 136   1.113  12.524   1.348
 1078   1HB   ARG 136          1HB       ARG 136   2.219  12.583   3.575
 1079   2HB   ARG 136          2HB       ARG 136   3.800  12.481   2.815
 1080   1HG   ARG 136          1HG       ARG 136   3.400  14.751   3.503
 1081   2HG   ARG 136          2HG       ARG 136   3.452  14.684   1.746
 1082   1HD   ARG 136          1HD       ARG 136   0.850  14.591   1.837
 1083   2HD   ARG 136          2HD       ARG 136   1.021  14.954   3.554
 1084    HE   ARG 136           HE       ARG 136   1.567  17.126   3.067
 1085   1HH1  ARG 136          1HH2      ARG 136   1.774  15.247   0.006
 1086   2HH1  ARG 136          2HH2      ARG 136   1.884  16.702  -0.949
 1087   1HH2  ARG 136          1HH1      ARG 136   1.771  18.983   1.659
 1088   2HH2  ARG 136          2HH1      ARG 136   1.938  18.733  -0.053
 1089    H    GLN 137           H        GLN 137   4.349  11.199   0.536
 1090    HA   GLN 137           HA       GLN 137   4.986  13.220  -1.381
 1091   1HB   GLN 137          1HB       GLN 137   6.014  10.387  -0.998
 1092   2HB   GLN 137          2HB       GLN 137   6.740  11.563  -2.090
 1093   1HG   GLN 137          1HG       GLN 137   6.440  12.230   0.860
 1094   2HG   GLN 137          2HG       GLN 137   7.720  11.161   0.304
 1095   1HE2  GLN 137          2HE2      GLN 137   9.187  12.770   1.201
 1096   2HE2  GLN 137          1HE2      GLN 137   9.573  14.199   0.270
 1097    H    TRP 138           H        TRP 138   3.575   9.871  -1.752
 1098    HA   TRP 138           HA       TRP 138   3.287  10.069  -4.571
 1099   1HB   TRP 138          1HB       TRP 138   1.851   8.423  -2.478
 1100   2HB   TRP 138          2HB       TRP 138   1.321   8.423  -4.157
 1101    HD1  TRP 138           HD1      TRP 138   3.958   6.965  -1.936
 1102    HE1  TRP 138           HE1      TRP 138   5.673   5.649  -3.223
 1103    HE3  TRP 138           HE3      TRP 138   2.415   8.118  -6.683
 1104    HZ2  TRP 138           HZ2      TRP 138   6.298   5.063  -6.008
 1105    HZ3  TRP 138           HZ3      TRP 138   3.620   7.181  -8.639
 1106    HH2  TRP 138           HH2      TRP 138   5.578   5.680  -8.310
 1107    H    ALA 139           H        ALA 139   1.032  11.129  -1.934
 1108    HA   ALA 139           HA       ALA 139  -0.967  12.080  -3.707
 1109   1HB   ALA 139          1HB       ALA 139  -1.321  11.787  -1.290
 1110   2HB   ALA 139          2HB       ALA 139  -0.194  13.122  -0.948
 1111   3HB   ALA 139          3HB       ALA 139  -1.718  13.440  -1.803
 1112    H    GLN 140           H        GLN 140   2.043  13.674  -2.510
 1113    HA   GLN 140           HA       GLN 140   1.514  16.243  -3.507
 1114   1HB   GLN 140          1HB       GLN 140   3.405  15.519  -1.953
 1115   2HB   GLN 140          2HB       GLN 140   4.235  14.866  -3.352
 1116   1HG   GLN 140          1HG       GLN 140   5.097  17.054  -2.727
 1117   2HG   GLN 140          2HG       GLN 140   4.433  17.045  -4.359
 1118   1HE2  GLN 140          2HE2      GLN 140   4.006  19.328  -4.448
 1119   2HE2  GLN 140          1HE2      GLN 140   2.786  20.080  -3.451
 1120    H    ALA 141           H        ALA 141   2.976  13.379  -5.142
 1121    HA   ALA 141           HA       ALA 141   3.377  14.771  -7.649
 1122   1HB   ALA 141          1HB       ALA 141   3.193  11.791  -6.999
 1123   2HB   ALA 141          2HB       ALA 141   3.782  12.500  -8.519
 1124   3HB   ALA 141          3HB       ALA 141   4.665  12.786  -7.005
 1125    H    LEU 142           H        LEU 142   1.000  12.294  -6.601
 1126    HA   LEU 142           HA       LEU 142  -0.482  12.111  -8.912
 1127   1HB   LEU 142          1HB       LEU 142  -1.271  11.756  -6.008
 1128   2HB   LEU 142          2HB       LEU 142  -2.410  11.430  -7.299
 1129    HG   LEU 142           HG       LEU 142   0.292  10.035  -7.120
 1130   1HD1  LEU 142          1HD1      LEU 142  -0.955   8.116  -6.196
 1131   2HD1  LEU 142          2HD1      LEU 142  -1.072   9.518  -5.126
 1132   3HD1  LEU 142          3HD1      LEU 142  -2.447   9.082  -6.164
 1133   1HD2  LEU 142          1HD2      LEU 142  -0.791   8.386  -8.629
 1134   2HD2  LEU 142          2HD2      LEU 142  -2.237   9.413  -8.709
 1135   3HD2  LEU 142          3HD2      LEU 142  -0.688   9.980  -9.375
 1136    H    ASN 143           H        ASN 143  -1.234  14.334  -6.156
 1137    HA   ASN 143           HA       ASN 143  -3.590  15.281  -7.423
 1138   1HB   ASN 143          1HB       ASN 143  -3.935  16.648  -5.658
 1139   2HB   ASN 143          2HB       ASN 143  -2.842  15.501  -4.901
 1140   1HD2  ASN 143          2HD2      ASN 143  -0.490  16.194  -4.798
 1141   2HD2  ASN 143          1HD2      ASN 143  -0.114  17.910  -4.718
 1142    H    ALA 144           H        ALA 144  -0.294  16.033  -8.167
 1143    HA   ALA 144           HA       ALA 144  -1.139  18.499  -9.556
 1144   1HB   ALA 144          1HB       ALA 144   0.351  18.928  -7.590
 1145   2HB   ALA 144          2HB       ALA 144   1.585  17.877  -8.328
 1146   3HB   ALA 144          3HB       ALA 144   1.115  19.399  -9.119
 1147    H    GLU 145           H        GLU 145  -1.011  15.682 -10.380
 1148    HA   GLU 145           HA       GLU 145  -0.044  16.365 -13.071
 1149   1HB   GLU 145          1HB       GLU 145   1.067  14.326 -13.393
 1150   2HB   GLU 145          2HB       GLU 145   1.531  14.861 -11.769
 1151   1HG   GLU 145          1HG       GLU 145  -0.126  13.290 -10.791
 1152   2HG   GLU 145          2HG       GLU 145  -0.489  12.674 -12.399
 1153    H    GLN 146           H        GLN 146  -2.581  16.396 -11.620
 1154    HA   GLN 146           HA       GLN 146  -4.375  14.560 -12.964
 1155   1HB   GLN 146          1HB       GLN 146  -4.844  17.233 -11.538
 1156   2HB   GLN 146          2HB       GLN 146  -6.128  16.187 -12.163
 1157   1HG   GLN 146          1HG       GLN 146  -5.359  14.360 -10.646
 1158   2HG   GLN 146          2HG       GLN 146  -4.141  15.445  -9.974
 1159   1HE2  GLN 146          2HE2      GLN 146  -4.849  17.291  -8.659
 1160   2HE2  GLN 146          1HE2      GLN 146  -6.466  17.319  -7.985
 1161    H    VAL 147           H        VAL 147  -5.737  15.084 -14.685
 1162    HA   VAL 147           HA       VAL 147  -5.037  17.269 -16.513
 1163    HB   VAL 147           HB       VAL 147  -4.749  15.430 -18.305
 1164   1HG1  VAL 147          1HG1      VAL 147  -2.906  16.902 -17.512
 1165   2HG1  VAL 147          2HG1      VAL 147  -2.504  15.701 -16.264
 1166   3HG1  VAL 147          3HG1      VAL 147  -2.349  15.289 -17.980
 1167   1HG2  VAL 147          1HG2      VAL 147  -5.412  13.459 -16.928
 1168   2HG2  VAL 147          2HG2      VAL 147  -3.784  13.286 -17.592
 1169   3HG2  VAL 147          3HG2      VAL 147  -3.995  13.708 -15.880
  Start of MODEL   11
    1    H    MET   1           H        MET   1  -4.531   9.982 -15.529
    2    HA   MET   1           HA       MET   1  -4.411  10.688 -13.262
    3   1HB   MET   1          1HB       MET   1  -6.201  12.383 -13.360
    4   2HB   MET   1          2HB       MET   1  -7.422  11.117 -13.541
    5   1HG   MET   1          1HG       MET   1  -7.312  11.959 -11.241
    6   2HG   MET   1          2HG       MET   1  -6.912  10.249 -11.316
    7   1HE   MET   1          1HE       MET   1  -6.448  11.698  -8.736
    8   2HE   MET   1          2HE       MET   1  -5.808  10.055  -8.987
    9   3HE   MET   1          3HE       MET   1  -4.771  11.319  -8.292
   10    H    PHE   2           H        PHE   2  -4.203   8.921 -11.926
   11    HA   PHE   2           HA       PHE   2  -5.234   6.345 -12.743
   12   1HB   PHE   2          1HB       PHE   2  -3.988   7.078 -10.070
   13   2HB   PHE   2          2HB       PHE   2  -4.077   5.496 -10.823
   14    HD1  PHE   2           HD1      PHE   2  -1.935   8.154 -10.101
   15    HD2  PHE   2           HD2      PHE   2  -2.919   5.482 -13.339
   16    HE1  PHE   2           HE1      PHE   2   0.295   8.548 -11.102
   17    HE2  PHE   2           HE2      PHE   2  -0.687   5.881 -14.341
   18    HZ   PHE   2           HZ       PHE   2   0.930   7.409 -13.224
   19    H    ASN   3           H        ASN   3  -7.487   6.261 -12.677
   20    HA   ASN   3           HA       ASN   3  -9.099   7.615 -10.781
   21   1HB   ASN   3          1HB       ASN   3 -10.004   6.836 -12.913
   22   2HB   ASN   3          2HB       ASN   3  -9.694   5.151 -12.478
   23   1HD2  ASN   3          2HD2      ASN   3 -11.642   8.045 -11.541
   24   2HD2  ASN   3          1HD2      ASN   3 -12.908   7.130 -10.770
   25    H    ASN   4           H        ASN   4  -7.989   4.203 -10.838
   26    HA   ASN   4           HA       ASN   4  -8.629   4.012  -7.946
   27   1HB   ASN   4          1HB       ASN   4  -9.598   1.819  -8.248
   28   2HB   ASN   4          2HB       ASN   4 -10.511   3.011  -9.159
   29   1HD2  ASN   4          2HD2      ASN   4 -10.825   0.299  -9.613
   30   2HD2  ASN   4          1HD2      ASN   4 -10.077  -0.175 -11.118
   31    H    ILE   5           H        ILE   5  -7.372   2.659  -6.733
   32    HA   ILE   5           HA       ILE   5  -4.828   1.746  -8.004
   33    HB   ILE   5           HB       ILE   5  -5.272   3.512  -5.563
   34   1HG1  ILE   5          1HG1      ILE   5  -4.103   4.135  -8.300
   35   2HG1  ILE   5          2HG1      ILE   5  -5.580   4.786  -7.594
   36   1HG2  ILE   5          1HG2      ILE   5  -3.323   2.020  -5.158
   37   2HG2  ILE   5          2HG2      ILE   5  -2.596   2.599  -6.674
   38   3HG2  ILE   5          3HG2      ILE   5  -2.845   3.687  -5.282
   39   1HD1  ILE   5          1HD1      ILE   5  -3.973   6.494  -7.468
   40   2HD1  ILE   5          2HD1      ILE   5  -4.222   5.876  -5.818
   41   3HD1  ILE   5          3HD1      ILE   5  -2.756   5.437  -6.742
   42    H    LEU   6           H        LEU   6  -3.747   0.050  -6.835
   43    HA   LEU   6           HA       LEU   6  -5.288  -1.169  -4.571
   44   1HB   LEU   6          1HB       LEU   6  -5.764  -2.397  -6.642
   45   2HB   LEU   6          2HB       LEU   6  -4.039  -2.597  -6.943
   46    HG   LEU   6           HG       LEU   6  -3.907  -3.916  -4.784
   47   1HD1  LEU   6          1HD1      LEU   6  -5.909  -3.149  -3.652
   48   2HD1  LEU   6          2HD1      LEU   6  -6.945  -3.775  -4.952
   49   3HD1  LEU   6          3HD1      LEU   6  -6.027  -4.883  -3.910
   50   1HD2  LEU   6          1HD2      LEU   6  -5.777  -4.987  -6.940
   51   2HD2  LEU   6          2HD2      LEU   6  -4.002  -5.024  -6.981
   52   3HD2  LEU   6          3HD2      LEU   6  -4.876  -5.963  -5.762
   53    H    VAL   7           H        VAL   7  -3.988  -1.352  -2.821
   54    HA   VAL   7           HA       VAL   7  -1.044  -1.343  -3.186
   55    HB   VAL   7           HB       VAL   7  -2.525  -1.540  -0.543
   56   1HG1  VAL   7          1HG1      VAL   7  -0.457  -0.609   0.339
   57   2HG1  VAL   7          2HG1      VAL   7  -0.028  -1.944  -0.718
   58   3HG1  VAL   7          3HG1      VAL   7   0.158  -0.279  -1.289
   59   1HG2  VAL   7          1HG2      VAL   7  -1.880   1.047  -2.028
   60   2HG2  VAL   7          2HG2      VAL   7  -3.490   0.461  -1.551
   61   3HG2  VAL   7          3HG2      VAL   7  -2.338   0.934  -0.315
   62    H    VAL   8           H        VAL   8   0.147  -3.229  -2.981
   63    HA   VAL   8           HA       VAL   8  -1.285  -5.674  -2.068
   64    HB   VAL   8           HB       VAL   8   0.575  -5.541  -4.475
   65   1HG1  VAL   8          1HG1      VAL   8  -0.383  -7.800  -4.916
   66   2HG1  VAL   8          2HG1      VAL   8   0.419  -7.750  -3.344
   67   3HG1  VAL   8          3HG1      VAL   8  -1.360  -7.678  -3.446
   68   1HG2  VAL   8          1HG2      VAL   8  -1.433  -5.866  -5.887
   69   2HG2  VAL   8          2HG2      VAL   8  -2.466  -5.639  -4.460
   70   3HG2  VAL   8          3HG2      VAL   8  -1.462  -4.305  -5.081
   71    H    CYS   9           H        CYS   9  -0.198  -6.502  -0.339
   72    HA   CYS   9           HA       CYS   9   2.769  -6.164  -0.234
   73   1HB   CYS   9          1HB       CYS   9   0.930  -5.816   2.157
   74   2HB   CYS   9          2HB       CYS   9   2.652  -5.433   2.036
   75    HG   CYS   9           HG       CYS   9  -0.038  -3.991   0.900
   76    H    VAL  10           H        VAL  10   3.920  -7.658   0.967
   77    HA   VAL  10           HA       VAL  10   2.576 -10.249   1.557
   78    HB   VAL  10           HB       VAL  10   5.404  -9.208   2.044
   79   1HG1  VAL  10          1HG1      VAL  10   4.892 -10.847   3.805
   80   2HG1  VAL  10          2HG1      VAL  10   4.282 -11.995   2.592
   81   3HG1  VAL  10          3HG1      VAL  10   6.001 -11.548   2.624
   82   1HG2  VAL  10          1HG2      VAL  10   4.787  -9.717  -0.345
   83   2HG2  VAL  10          2HG2      VAL  10   6.026 -10.810   0.284
   84   3HG2  VAL  10          3HG2      VAL  10   4.347 -11.363   0.148
   85    H    GLY  11           H        GLY  11   1.719 -10.731   3.615
   86   1HA   GLY  11          1HA       GLY  11   0.885 -10.307   5.693
   87   2HA   GLY  11          2HA       GLY  11   2.161  -9.089   5.972
   88    H    ASN  12           H        ASN  12  -0.232  -9.234   3.368
   89    HA   ASN  12           HA       ASN  12  -1.331  -6.922   3.053
   90   1HB   ASN  12          1HB       ASN  12  -2.175  -9.008   2.101
   91   2HB   ASN  12          2HB       ASN  12  -2.953  -9.432   3.619
   92   1HD2  ASN  12          2HD2      ASN  12  -3.772  -6.192   3.490
   93   2HD2  ASN  12          1HD2      ASN  12  -5.262  -6.421   2.610
   94    H    ILE  13           H        ILE  13  -2.272  -8.796   5.997
   95    HA   ILE  13           HA       ILE  13  -4.398  -7.193   6.777
   96    HB   ILE  13           HB       ILE  13  -4.139  -8.221   8.998
   97   1HG1  ILE  13          1HG1      ILE  13  -1.547  -9.459   7.958
   98   2HG1  ILE  13          2HG1      ILE  13  -1.634  -8.130   9.113
   99   1HG2  ILE  13          1HG2      ILE  13  -3.710 -10.219   6.727
  100   2HG2  ILE  13          2HG2      ILE  13  -4.476 -10.533   8.297
  101   3HG2  ILE  13          3HG2      ILE  13  -5.248  -9.432   7.171
  102   1HD1  ILE  13          1HD1      ILE  13  -1.305 -10.111  10.378
  103   2HD1  ILE  13          2HD1      ILE  13  -2.991  -9.632  10.642
  104   3HD1  ILE  13          3HD1      ILE  13  -2.602 -10.977   9.541
  105    H    CYS  14           H        CYS  14  -1.229  -5.994   6.743
  106    HA   CYS  14           HA       CYS  14  -1.995  -3.915   8.752
  107   1HB   CYS  14          1HB       CYS  14   0.342  -3.899   9.585
  108   2HB   CYS  14          2HB       CYS  14  -0.592  -5.348   9.992
  109    HG   CYS  14           HG       CYS  14   0.396  -6.804   7.943
  110    H    ARG  15           H        ARG  15   0.411  -4.711   6.133
  111    HA   ARG  15           HA       ARG  15   1.164  -1.935   5.934
  112   1HB   ARG  15          1HB       ARG  15   1.618  -4.324   4.109
  113   2HB   ARG  15          2HB       ARG  15   2.407  -2.761   3.886
  114   1HG   ARG  15          1HG       ARG  15   3.738  -2.988   5.837
  115   2HG   ARG  15          2HG       ARG  15   2.663  -4.178   6.549
  116   1HD   ARG  15          1HD       ARG  15   4.176  -5.686   5.925
  117   2HD   ARG  15          2HD       ARG  15   3.371  -5.589   4.370
  118    HE   ARG  15           HE       ARG  15   5.703  -3.808   4.940
  119   1HH1  ARG  15          1HH1      ARG  15   4.587  -6.822   3.384
  120   2HH1  ARG  15          2HH1      ARG  15   5.886  -6.799   2.208
  121   1HH2  ARG  15          1HH2      ARG  15   7.580  -4.054   3.595
  122   2HH2  ARG  15          2HH2      ARG  15   7.731  -5.498   2.639
  123    H    SER  16           H        SER  16  -0.784  -4.051   3.724
  124    HA   SER  16           HA       SER  16  -1.276  -2.109   1.832
  125   1HB   SER  16          1HB       SER  16  -3.276  -4.270   2.502
  126   2HB   SER  16          2HB       SER  16  -2.908  -3.542   0.930
  127    HG   SER  16           HG       SER  16  -1.916  -5.515   1.022
  128    HA   PRO  17           HA       PRO  17  -5.397  -0.779   3.757
  129   1HB   PRO  17          1HB       PRO  17  -5.975  -1.129   6.421
  130   2HB   PRO  17          2HB       PRO  17  -6.406  -2.292   5.138
  131   1HG   PRO  17          1HG       PRO  17  -3.996  -2.365   6.974
  132   2HG   PRO  17          2HG       PRO  17  -5.128  -3.699   6.579
  133   1HD   PRO  17          1HD       PRO  17  -2.763  -3.447   5.311
  134   2HD   PRO  17          2HD       PRO  17  -4.231  -3.948   4.417
  135    H    THR  18           H        THR  18  -2.406  -0.594   5.750
  136    HA   THR  18           HA       THR  18  -3.075   1.965   6.907
  137    HB   THR  18           HB       THR  18  -0.364   0.644   6.487
  138    HG1  THR  18           1HG      THR  18  -1.401  -0.649   7.820
  139   1HG2  THR  18          1HG2      THR  18  -1.253   2.935   8.305
  140   2HG2  THR  18          2HG2      THR  18   0.306   2.084   8.432
  141   3HG2  THR  18          3HG2      THR  18  -0.068   3.026   6.984
  142    H    ALA  19           H        ALA  19  -1.125   1.006   3.985
  143    HA   ALA  19           HA       ALA  19  -0.621   3.675   3.115
  144   1HB   ALA  19          1HB       ALA  19  -0.993   1.095   1.554
  145   2HB   ALA  19          2HB       ALA  19  -0.413   2.614   0.840
  146   3HB   ALA  19          3HB       ALA  19   0.550   1.780   2.094
  147    H    GLU  20           H        GLU  20  -3.312   1.403   2.340
  148    HA   GLU  20           HA       GLU  20  -4.619   3.013   0.448
  149   1HB   GLU  20          1HB       GLU  20  -5.058   0.599   0.914
  150   2HB   GLU  20          2HB       GLU  20  -5.763   1.046   2.466
  151   1HG   GLU  20          1HG       GLU  20  -7.269   2.598   0.729
  152   2HG   GLU  20          2HG       GLU  20  -6.895   1.199  -0.268
  153    H    ARG  21           H        ARG  21  -5.210   2.799   4.012
  154    HA   ARG  21           HA       ARG  21  -7.287   4.786   3.960
  155   1HB   ARG  21          1HB       ARG  21  -5.548   3.610   6.155
  156   2HB   ARG  21          2HB       ARG  21  -6.841   4.766   6.483
  157   1HG   ARG  21          1HG       ARG  21  -7.284   2.050   5.151
  158   2HG   ARG  21          2HG       ARG  21  -7.477   2.410   6.869
  159   1HD   ARG  21          1HD       ARG  21  -9.073   4.303   6.074
  160   2HD   ARG  21          2HD       ARG  21  -9.143   3.415   4.538
  161    HE   ARG  21           HE       ARG  21 -10.062   2.578   7.253
  162   1HH1  ARG  21          1HH2      ARG  21  -9.724   1.419   3.821
  163   2HH1  ARG  21          2HH2      ARG  21 -10.915   0.208   4.065
  164   1HH2  ARG  21          1HH1      ARG  21 -11.508   0.813   7.475
  165   2HH2  ARG  21          2HH1      ARG  21 -11.871  -0.171   6.105
  166    H    LEU  22           H        LEU  22  -3.729   5.012   4.492
  167    HA   LEU  22           HA       LEU  22  -3.769   7.772   5.295
  168   1HB   LEU  22          1HB       LEU  22  -1.716   6.012   3.909
  169   2HB   LEU  22          2HB       LEU  22  -1.419   7.721   4.195
  170    HG   LEU  22           HG       LEU  22  -2.177   5.893   6.502
  171   1HD1  LEU  22          1HD1      LEU  22  -0.228   4.878   5.479
  172   2HD1  LEU  22          2HD1      LEU  22   0.569   6.441   5.321
  173   3HD1  LEU  22          3HD1      LEU  22   0.298   5.736   6.937
  174   1HD2  LEU  22          1HD2      LEU  22  -0.944   7.629   7.792
  175   2HD2  LEU  22          2HD2      LEU  22  -0.684   8.553   6.304
  176   3HD2  LEU  22          3HD2      LEU  22  -2.328   8.308   6.931
  177    H    LEU  23           H        LEU  23  -3.658   6.169   2.070
  178    HA   LEU  23           HA       LEU  23  -3.624   8.631   0.598
  179   1HB   LEU  23          1HB       LEU  23  -4.503   5.818  -0.122
  180   2HB   LEU  23          2HB       LEU  23  -4.511   7.150  -1.276
  181    HG   LEU  23           HG       LEU  23  -1.974   6.466   0.246
  182   1HD1  LEU  23          1HD1      LEU  23  -1.302   5.012  -1.634
  183   2HD1  LEU  23          2HD1      LEU  23  -2.663   4.360  -0.751
  184   3HD1  LEU  23          3HD1      LEU  23  -2.926   5.152  -2.332
  185   1HD2  LEU  23          1HD2      LEU  23  -0.884   7.467  -1.723
  186   2HD2  LEU  23          2HD2      LEU  23  -2.462   7.736  -2.486
  187   3HD2  LEU  23          3HD2      LEU  23  -2.021   8.605  -1.001
  188    H    GLN  24           H        GLN  24  -6.374   6.705   1.974
  189    HA   GLN  24           HA       GLN  24  -8.410   8.342   0.781
  190   1HB   GLN  24          1HB       GLN  24  -8.474   6.883   3.470
  191   2HB   GLN  24          2HB       GLN  24  -9.841   7.651   2.693
  192   1HG   GLN  24          1HG       GLN  24  -8.364   5.199   1.690
  193   2HG   GLN  24          2HG       GLN  24  -9.985   5.278   2.355
  194   1HE2  GLN  24          2HE2      GLN  24  -8.016   5.761  -0.445
  195   2HE2  GLN  24          1HE2      GLN  24  -9.258   6.384  -1.544
  196    H    ARG  25           H        ARG  25  -6.486   8.725   3.814
  197    HA   ARG  25           HA       ARG  25  -7.896  10.990   4.735
  198   1HB   ARG  25          1HB       ARG  25  -6.244   9.592   6.029
  199   2HB   ARG  25          2HB       ARG  25  -4.931  10.392   5.158
  200   1HG   ARG  25          1HG       ARG  25  -5.670  12.594   6.074
  201   2HG   ARG  25          2HG       ARG  25  -7.010  11.784   6.898
  202   1HD   ARG  25          1HD       ARG  25  -5.304  12.109   8.529
  203   2HD   ARG  25          2HD       ARG  25  -5.333  10.381   8.141
  204    HE   ARG  25           HE       ARG  25  -3.414  11.962   6.591
  205   1HH1  ARG  25          1HH2      ARG  25  -3.866  10.151   9.621
  206   2HH1  ARG  25          2HH2      ARG  25  -2.188   9.761   9.791
  207   1HH2  ARG  25          1HH1      ARG  25  -1.129  11.644   6.990
  208   2HH2  ARG  25          2HH1      ARG  25  -0.632  10.823   8.433
  209    H    TYR  26           H        TYR  26  -4.894  10.830   2.722
  210    HA   TYR  26           HA       TYR  26  -4.822  13.674   2.399
  211   1HB   TYR  26          1HB       TYR  26  -3.397  11.446   0.904
  212   2HB   TYR  26          2HB       TYR  26  -3.121  13.167   0.646
  213    HD1  TYR  26           HD1      TYR  26  -1.971  10.372   2.504
  214    HD2  TYR  26           HD2      TYR  26  -2.607  14.628   2.780
  215    HE1  TYR  26           HE1      TYR  26  -0.423  10.476   4.439
  216    HE2  TYR  26           HE2      TYR  26  -1.058  14.744   4.701
  217    HH   TYR  26           HH       TYR  26   0.323  13.546   6.145
  218    H    HIS  27           H        HIS  27  -6.399  11.139   0.450
  219    HA   HIS  27           HA       HIS  27  -7.626  13.251  -1.237
  220   1HB   HIS  27          1HB       HIS  27  -6.134  10.785  -2.201
  221   2HB   HIS  27          2HB       HIS  27  -7.395  11.584  -3.137
  222    HD1  HIS  27           HD1      HIS  27  -6.935  14.073  -4.047
  223    HD2  HIS  27           HD2      HIS  27  -3.696  11.843  -2.509
  224    HE1  HIS  27           HE1      HIS  27  -4.809  15.158  -4.939
  225    HA   PRO  28           HA       PRO  28 -10.793  10.372   0.585
  226   1HB   PRO  28          1HB       PRO  28 -12.377  12.893   0.085
  227   2HB   PRO  28          2HB       PRO  28 -12.486  11.750   1.458
  228   1HG   PRO  28          1HG       PRO  28 -11.190  14.117   1.742
  229   2HG   PRO  28          2HG       PRO  28 -10.489  12.620   2.437
  230   1HD   PRO  28          1HD       PRO  28  -9.754  14.015  -0.147
  231   2HD   PRO  28          2HD       PRO  28  -8.687  13.309   1.105
  232    H    GLU  29           H        GLU  29 -10.582  12.309  -2.358
  233    HA   GLU  29           HA       GLU  29 -12.929  11.095  -3.605
  234   1HB   GLU  29          1HB       GLU  29 -12.559  12.566  -5.372
  235   2HB   GLU  29          2HB       GLU  29 -12.236  13.500  -3.929
  236   1HG   GLU  29          1HG       GLU  29 -10.055  12.280  -5.702
  237   2HG   GLU  29          2HG       GLU  29 -10.751  13.863  -5.947
  238    H    LEU  30           H        LEU  30  -9.637  10.156  -3.211
  239    HA   LEU  30           HA       LEU  30  -9.329   8.945  -5.881
  240   1HB   LEU  30          1HB       LEU  30  -7.465  10.101  -4.773
  241   2HB   LEU  30          2HB       LEU  30  -7.581   9.007  -3.385
  242    HG   LEU  30           HG       LEU  30  -6.872   7.115  -4.812
  243   1HD1  LEU  30          1HD1      LEU  30  -5.964   7.625  -7.099
  244   2HD1  LEU  30          2HD1      LEU  30  -7.709   7.804  -7.013
  245   3HD1  LEU  30          3HD1      LEU  30  -6.673   9.246  -6.986
  246   1HD2  LEU  30          1HD2      LEU  30  -4.522   7.958  -5.128
  247   2HD2  LEU  30          2HD2      LEU  30  -5.108   9.610  -4.890
  248   3HD2  LEU  30          3HD2      LEU  30  -5.213   8.429  -3.570
  249    H    LYS  31           H        LYS  31  -9.473   6.647  -6.233
  250    HA   LYS  31           HA       LYS  31 -10.784   5.221  -3.979
  251   1HB   LYS  31          1HB       LYS  31 -12.031   5.038  -6.065
  252   2HB   LYS  31          2HB       LYS  31 -10.581   4.542  -6.938
  253   1HG   LYS  31          1HG       LYS  31 -12.061   2.620  -6.465
  254   2HG   LYS  31          2HG       LYS  31 -10.479   2.436  -5.722
  255   1HD   LYS  31          1HD       LYS  31 -11.553   3.310  -3.538
  256   2HD   LYS  31          2HD       LYS  31 -13.111   3.128  -4.342
  257   1HE   LYS  31          1HE       LYS  31 -12.909   0.772  -4.411
  258   2HE   LYS  31          2HE       LYS  31 -11.144   0.825  -4.310
  259   1HZ   LYS  31          1HZ       LYS  31 -12.073   0.097  -2.223
  260   2HZ   LYS  31          2HZ       LYS  31 -11.295   1.494  -2.024
  261   3HZ   LYS  31          3HZ       LYS  31 -12.952   1.479  -2.060
  262    H    VAL  32           H        VAL  32  -9.502   3.866  -2.816
  263    HA   VAL  32           HA       VAL  32  -7.272   2.534  -4.197
  264    HB   VAL  32           HB       VAL  32  -6.944   3.602  -1.375
  265   1HG1  VAL  32          1HG1      VAL  32  -5.493   1.687  -1.985
  266   2HG1  VAL  32          2HG1      VAL  32  -4.958   2.536  -3.439
  267   3HG1  VAL  32          3HG1      VAL  32  -4.533   3.158  -1.838
  268   1HG2  VAL  32          1HG2      VAL  32  -5.968   4.905  -3.949
  269   2HG2  VAL  32          2HG2      VAL  32  -7.064   5.609  -2.744
  270   3HG2  VAL  32          3HG2      VAL  32  -5.383   5.299  -2.332
  271    H    GLU  33           H        GLU  33  -6.992   0.393  -3.485
  272    HA   GLU  33           HA       GLU  33  -8.722  -0.579  -1.254
  273   1HB   GLU  33          1HB       GLU  33  -9.747  -0.930  -3.585
  274   2HB   GLU  33          2HB       GLU  33  -8.382  -1.974  -3.938
  275   1HG   GLU  33          1HG       GLU  33 -10.340  -3.283  -3.325
  276   2HG   GLU  33          2HG       GLU  33  -9.081  -3.528  -2.147
  277    H    SER  34           H        SER  34  -7.879  -2.965  -0.745
  278    HA   SER  34           HA       SER  34  -4.912  -3.013  -0.909
  279   1HB   SER  34          1HB       SER  34  -5.150  -3.588   1.614
  280   2HB   SER  34          2HB       SER  34  -5.262  -1.899   1.096
  281    HG   SER  34           HG       SER  34  -7.412  -1.887   1.452
  282    H    ALA  35           H        ALA  35  -3.970  -4.994  -1.026
  283    HA   ALA  35           HA       ALA  35  -5.401  -7.477  -0.382
  284   1HB   ALA  35          1HB       ALA  35  -5.041  -8.418  -2.650
  285   2HB   ALA  35          2HB       ALA  35  -6.105  -7.011  -2.727
  286   3HB   ALA  35          3HB       ALA  35  -4.397  -6.859  -3.208
  287    H    GLY  36           H        GLY  36  -3.529  -9.324  -1.305
  288   1HA   GLY  36          1HA       GLY  36  -0.830  -8.200  -1.125
  289   2HA   GLY  36          2HA       GLY  36  -1.304  -9.205   0.227
  290    H    LEU  37           H        LEU  37   0.919  -9.691  -1.268
  291    HA   LEU  37           HA       LEU  37   0.501 -11.738  -3.288
  292   1HB   LEU  37          1HB       LEU  37   2.831 -10.654  -1.685
  293   2HB   LEU  37          2HB       LEU  37   3.038 -12.151  -2.577
  294    HG   LEU  37           HG       LEU  37   1.966  -9.679  -3.971
  295   1HD1  LEU  37          1HD1      LEU  37   4.900 -10.435  -3.613
  296   2HD1  LEU  37          2HD1      LEU  37   4.266  -9.137  -4.656
  297   3HD1  LEU  37          3HD1      LEU  37   4.089  -9.023  -2.903
  298   1HD2  LEU  37          1HD2      LEU  37   2.897 -10.796  -5.968
  299   2HD2  LEU  37          2HD2      LEU  37   3.532 -12.112  -4.957
  300   3HD2  LEU  37          3HD2      LEU  37   1.788 -11.891  -5.134
  301    H    GLY  38           H        GLY  38   1.254 -11.721   0.200
  302   1HA   GLY  38          1HA       GLY  38   0.639 -14.652   0.345
  303   2HA   GLY  38          2HA       GLY  38   1.928 -13.871   1.284
  304    H    ALA  39           H        ALA  39  -1.424 -12.929   0.424
  305    HA   ALA  39           HA       ALA  39  -1.899 -11.752   3.039
  306   1HB   ALA  39          1HB       ALA  39  -3.803 -12.342   0.733
  307   2HB   ALA  39          2HB       ALA  39  -4.087 -11.214   2.076
  308   3HB   ALA  39          3HB       ALA  39  -2.826 -10.864   0.888
  309    H    LEU  40           H        LEU  40  -4.141 -12.285   4.031
  310    HA   LEU  40           HA       LEU  40  -4.474 -15.240   4.372
  311   1HB   LEU  40          1HB       LEU  40  -4.411 -13.032   6.470
  312   2HB   LEU  40          2HB       LEU  40  -4.886 -14.703   6.781
  313    HG   LEU  40           HG       LEU  40  -2.122 -13.839   5.802
  314   1HD1  LEU  40          1HD1      LEU  40  -1.339 -14.276   8.062
  315   2HD1  LEU  40          2HD1      LEU  40  -2.603 -13.042   8.092
  316   3HD1  LEU  40          3HD1      LEU  40  -2.978 -14.711   8.583
  317   1HD2  LEU  40          1HD2      LEU  40  -1.437 -16.140   6.464
  318   2HD2  LEU  40          2HD2      LEU  40  -3.137 -16.545   6.791
  319   3HD2  LEU  40          3HD2      LEU  40  -2.602 -16.156   5.141
  320    H    VAL  41           H        VAL  41  -6.133 -15.157   2.863
  321    HA   VAL  41           HA       VAL  41  -7.970 -13.178   2.457
  322    HB   VAL  41           HB       VAL  41  -8.614 -16.139   2.192
  323   1HG1  VAL  41          1HG1      VAL  41  -9.492 -13.706   0.562
  324   2HG1  VAL  41          2HG1      VAL  41  -9.922 -15.397   0.229
  325   3HG1  VAL  41          3HG1      VAL  41 -10.502 -14.619   1.702
  326   1HG2  VAL  41          1HG2      VAL  41  -6.436 -15.891   1.166
  327   2HG2  VAL  41          2HG2      VAL  41  -7.632 -15.942  -0.120
  328   3HG2  VAL  41          3HG2      VAL  41  -6.926 -14.386   0.361
  329    H    GLY  42           H        GLY  42  -9.589 -12.268   3.540
  330   1HA   GLY  42          1HA       GLY  42 -11.640 -12.264   4.619
  331   2HA   GLY  42          2HA       GLY  42 -11.377 -13.912   5.194
  332    H    LYS  43           H        LYS  43  -8.501 -12.621   6.136
  333    HA   LYS  43           HA       LYS  43  -9.460 -12.112   8.856
  334   1HB   LYS  43          1HB       LYS  43  -6.700 -11.797   7.589
  335   2HB   LYS  43          2HB       LYS  43  -7.077 -11.441   9.278
  336   1HG   LYS  43          1HG       LYS  43  -8.056 -13.858   9.377
  337   2HG   LYS  43          2HG       LYS  43  -7.148 -14.135   7.881
  338   1HD   LYS  43          1HD       LYS  43  -5.054 -13.440   9.074
  339   2HD   LYS  43          2HD       LYS  43  -6.009 -13.163  10.545
  340   1HE   LYS  43          1HE       LYS  43  -6.781 -15.589  10.386
  341   2HE   LYS  43          2HE       LYS  43  -5.581 -15.823   9.112
  342   1HZ   LYS  43          1HZ       LYS  43  -5.011 -15.018  11.912
  343   2HZ   LYS  43          2HZ       LYS  43  -4.719 -16.478  11.262
  344   3HZ   LYS  43          3HZ       LYS  43  -3.867 -15.186  10.756
  345    H    GLY  44           H        GLY  44  -9.393 -10.139   9.989
  346   1HA   GLY  44          1HA       GLY  44  -9.952  -7.753   8.399
  347   2HA   GLY  44          2HA       GLY  44  -9.966  -7.901  10.160
  348    H    ALA  45           H        ALA  45  -8.859  -5.700   9.715
  349    HA   ALA  45           HA       ALA  45  -6.053  -5.715   9.011
  350   1HB   ALA  45          1HB       ALA  45  -6.058  -3.472  10.084
  351   2HB   ALA  45          2HB       ALA  45  -7.339  -3.650   8.867
  352   3HB   ALA  45          3HB       ALA  45  -7.742  -3.729  10.592
  353    H    ASP  46           H        ASP  46  -4.269  -5.635  10.470
  354    HA   ASP  46           HA       ASP  46  -4.467  -7.510  12.620
  355   1HB   ASP  46          1HB       ASP  46  -2.462  -7.241  11.216
  356   2HB   ASP  46          2HB       ASP  46  -2.199  -5.627  11.878
  357    HA   PRO  47           HA       PRO  47  -5.731  -4.725  15.920
  358   1HB   PRO  47          1HB       PRO  47  -4.007  -6.551  17.601
  359   2HB   PRO  47          2HB       PRO  47  -5.634  -5.891  17.960
  360   1HG   PRO  47          1HG       PRO  47  -5.375  -8.424  17.043
  361   2HG   PRO  47          2HG       PRO  47  -6.659  -7.363  16.376
  362   1HD   PRO  47          1HD       PRO  47  -3.982  -8.063  15.166
  363   2HD   PRO  47          2HD       PRO  47  -5.588  -7.926  14.385
  364    H    THR  48           H        THR  48  -2.244  -5.496  15.505
  365    HA   THR  48           HA       THR  48  -1.388  -3.391  17.337
  366    HB   THR  48           HB       THR  48   0.454  -4.455  15.232
  367    HG1  THR  48           1HG      THR  48  -0.595  -6.269  15.585
  368   1HG2  THR  48          1HG2      THR  48   0.680  -4.177  18.263
  369   2HG2  THR  48          2HG2      THR  48   1.992  -4.660  17.164
  370   3HG2  THR  48          3HG2      THR  48   1.295  -3.036  17.046
  371    H    ALA  49           H        ALA  49  -1.753  -3.869  13.796
  372    HA   ALA  49           HA       ALA  49  -0.757  -1.301  13.024
  373   1HB   ALA  49          1HB       ALA  49  -1.779  -1.838  10.881
  374   2HB   ALA  49          2HB       ALA  49  -1.035  -3.305  11.539
  375   3HB   ALA  49          3HB       ALA  49  -2.792  -3.100  11.627
  376    H    ILE  50           H        ILE  50  -4.062  -2.530  13.805
  377    HA   ILE  50           HA       ILE  50  -5.468  -0.097  13.399
  378    HB   ILE  50           HB       ILE  50  -5.935  -2.413  15.307
  379   1HG1  ILE  50          1HG1      ILE  50  -7.508  -1.702  12.798
  380   2HG1  ILE  50          2HG1      ILE  50  -6.090  -2.742  12.728
  381   1HG2  ILE  50          1HG2      ILE  50  -7.836  -0.108  14.671
  382   2HG2  ILE  50          2HG2      ILE  50  -8.282  -1.570  15.573
  383   3HG2  ILE  50          3HG2      ILE  50  -7.107  -0.466  16.250
  384   1HD1  ILE  50          1HD1      ILE  50  -7.150  -4.371  14.230
  385   2HD1  ILE  50          2HD1      ILE  50  -8.596  -3.350  14.359
  386   3HD1  ILE  50          3HD1      ILE  50  -8.158  -4.062  12.810
  387    H    SER  51           H        SER  51  -3.784  -1.344  16.365
  388    HA   SER  51           HA       SER  51  -4.544   0.832  18.004
  389   1HB   SER  51          1HB       SER  51  -2.068  -0.939  18.193
  390   2HB   SER  51          2HB       SER  51  -2.739   0.071  19.489
  391    HG   SER  51           HG       SER  51  -3.925  -2.185  18.221
  392    H    VAL  52           H        VAL  52  -1.551   0.400  16.003
  393    HA   VAL  52           HA       VAL  52  -0.458   2.961  16.693
  394    HB   VAL  52           HB       VAL  52  -0.048   1.066  14.350
  395   1HG1  VAL  52          1HG1      VAL  52   0.547   3.333  13.548
  396   2HG1  VAL  52          2HG1      VAL  52   1.579   3.571  14.975
  397   3HG1  VAL  52          3HG1      VAL  52   1.968   2.321  13.765
  398   1HG2  VAL  52          1HG2      VAL  52   0.749   0.253  16.539
  399   2HG2  VAL  52          2HG2      VAL  52   2.139   0.699  15.540
  400   3HG2  VAL  52          3HG2      VAL  52   1.604   1.784  16.824
  401    H    ALA  53           H        ALA  53  -2.734   1.956  14.054
  402    HA   ALA  53           HA       ALA  53  -2.734   4.513  12.793
  403   1HB   ALA  53          1HB       ALA  53  -4.782   3.686  11.721
  404   2HB   ALA  53          2HB       ALA  53  -3.521   2.445  11.711
  405   3HB   ALA  53          3HB       ALA  53  -4.876   2.344  12.867
  406    H    ALA  54           H        ALA  54  -4.735   3.159  15.455
  407    HA   ALA  54           HA       ALA  54  -6.530   5.354  15.626
  408   1HB   ALA  54          1HB       ALA  54  -5.640   3.369  17.774
  409   2HB   ALA  54          2HB       ALA  54  -7.077   4.410  17.848
  410   3HB   ALA  54          3HB       ALA  54  -6.975   3.131  16.621
  411    H    GLU  55           H        GLU  55  -3.265   4.833  17.050
  412    HA   GLU  55           HA       GLU  55  -3.213   7.050  18.762
  413   1HB   GLU  55          1HB       GLU  55  -1.470   5.188  18.336
  414   2HB   GLU  55          2HB       GLU  55  -0.861   6.219  17.031
  415   1HG   GLU  55          1HG       GLU  55  -0.506   8.056  18.688
  416   2HG   GLU  55          2HG       GLU  55  -1.061   6.978  19.972
  417    H    HIS  56           H        HIS  56  -3.332   6.994  15.273
  418    HA   HIS  56           HA       HIS  56  -2.934   9.944  15.122
  419   1HB   HIS  56          1HB       HIS  56  -2.551   7.813  12.990
  420   2HB   HIS  56          2HB       HIS  56  -2.278   9.545  12.784
  421    HD1  HIS  56           HD1      HIS  56  -0.217  10.541  14.543
  422    HD2  HIS  56           HD2      HIS  56  -0.474   6.419  13.727
  423    HE1  HIS  56           HE1      HIS  56   2.024   9.539  15.211
  424    H    GLN  57           H        GLN  57  -5.374   8.034  15.671
  425    HA   GLN  57           HA       GLN  57  -7.542   7.820  15.102
  426   1HB   GLN  57          1HB       GLN  57  -7.266  10.819  14.595
  427   2HB   GLN  57          2HB       GLN  57  -8.763   9.942  14.898
  428   1HG   GLN  57          1HG       GLN  57  -8.261  10.911  16.959
  429   2HG   GLN  57          2HG       GLN  57  -7.805   9.224  17.145
  430   1HE2  GLN  57          2HE2      GLN  57  -5.705   8.824  17.903
  431   2HE2  GLN  57          1HE2      GLN  57  -4.415  10.003  17.925
  432    H    LEU  58           H        LEU  58  -6.158   6.757  13.184
  433    HA   LEU  58           HA       LEU  58  -7.944   7.247  10.829
  434   1HB   LEU  58          1HB       LEU  58  -5.788   7.916  10.169
  435   2HB   LEU  58          2HB       LEU  58  -4.986   6.556  10.950
  436    HG   LEU  58           HG       LEU  58  -6.890   6.077   8.641
  437   1HD1  LEU  58          1HD1      LEU  58  -3.954   6.914   8.471
  438   2HD1  LEU  58          2HD1      LEU  58  -4.904   6.260   7.133
  439   3HD1  LEU  58          3HD1      LEU  58  -5.356   7.812   7.841
  440   1HD2  LEU  58          1HD2      LEU  58  -5.238   4.198   8.242
  441   2HD2  LEU  58          2HD2      LEU  58  -4.384   4.671   9.698
  442   3HD2  LEU  58          3HD2      LEU  58  -6.055   4.063   9.794
  443    H    SER  59           H        SER  59  -9.005   5.343  10.169
  444    HA   SER  59           HA       SER  59  -8.826   3.176  12.196
  445   1HB   SER  59          1HB       SER  59 -11.215   4.128  10.587
  446   2HB   SER  59          2HB       SER  59 -11.211   2.901  11.867
  447    HG   SER  59           HG       SER  59 -11.849   4.980  12.622
  448    H    LEU  60           H        LEU  60  -7.606   1.546  11.249
  449    HA   LEU  60           HA       LEU  60  -7.848   0.799   8.456
  450   1HB   LEU  60          1HB       LEU  60  -6.873  -0.951  10.738
  451   2HB   LEU  60          2HB       LEU  60  -6.573  -1.162   9.018
  452    HG   LEU  60           HG       LEU  60  -5.455   1.014  10.810
  453   1HD1  LEU  60          1HD1      LEU  60  -4.079  -1.243   9.292
  454   2HD1  LEU  60          2HD1      LEU  60  -3.321  -0.067  10.386
  455   3HD1  LEU  60          3HD1      LEU  60  -4.471  -1.263  11.023
  456   1HD2  LEU  60          1HD2      LEU  60  -4.971   0.584   7.836
  457   2HD2  LEU  60          2HD2      LEU  60  -5.853   1.944   8.551
  458   3HD2  LEU  60          3HD2      LEU  60  -4.128   1.748   8.883
  459    H    GLU  61           H        GLU  61  -9.575  -0.073  11.424
  460    HA   GLU  61           HA       GLU  61 -10.791  -2.437  10.732
  461   1HB   GLU  61          1HB       GLU  61 -12.018  -0.037  12.160
  462   2HB   GLU  61          2HB       GLU  61 -12.713  -1.665  12.140
  463   1HG   GLU  61          1HG       GLU  61 -10.637  -2.554  13.193
  464   2HG   GLU  61          2HG       GLU  61  -9.989  -0.914  13.292
  465    H    GLY  62           H        GLY  62 -12.652  -3.085   9.623
  466   1HA   GLY  62          1HA       GLY  62 -14.322  -2.909   7.987
  467   2HA   GLY  62          2HA       GLY  62 -13.953  -1.189   7.750
  468    H    HIS  63           H        HIS  63 -11.976  -4.215   7.685
  469    HA   HIS  63           HA       HIS  63 -11.214  -3.787   4.874
  470   1HB   HIS  63          1HB       HIS  63  -9.418  -2.644   6.040
  471   2HB   HIS  63          2HB       HIS  63  -9.309  -3.921   7.252
  472    HD1  HIS  63           HD1      HIS  63  -8.472  -3.420   3.474
  473    HD2  HIS  63           HD2      HIS  63  -7.707  -5.960   6.754
  474    HE1  HIS  63           HE1      HIS  63  -6.801  -5.116   2.684
  475    H    CYS  64           H        CYS  64 -10.715  -5.768   3.887
  476    HA   CYS  64           HA       CYS  64 -10.552  -8.204   5.580
  477   1HB   CYS  64          1HB       CYS  64 -12.132  -7.941   2.977
  478   2HB   CYS  64          2HB       CYS  64 -11.804  -9.450   3.836
  479    HG   CYS  64           HG       CYS  64 -14.302  -8.752   4.196
  480    H    ALA  65           H        ALA  65  -8.610  -9.121   5.174
  481    HA   ALA  65           HA       ALA  65  -6.939  -8.324   2.966
  482   1HB   ALA  65          1HB       ALA  65  -6.785 -10.548   5.047
  483   2HB   ALA  65          2HB       ALA  65  -5.514 -10.241   3.845
  484   3HB   ALA  65          3HB       ALA  65  -5.924  -8.992   5.035
  485    H    ARG  66           H        ARG  66  -6.145  -9.793   1.274
  486    HA   ARG  66           HA       ARG  66  -7.677 -12.125   0.517
  487   1HB   ARG  66          1HB       ARG  66  -8.853 -11.257  -1.401
  488   2HB   ARG  66          2HB       ARG  66  -9.338 -10.321   0.001
  489   1HG   ARG  66          1HG       ARG  66  -7.386  -8.667  -0.842
  490   2HG   ARG  66          2HG       ARG  66  -7.647  -9.517  -2.368
  491   1HD   ARG  66          1HD       ARG  66  -9.041  -7.644  -2.477
  492   2HD   ARG  66          2HD       ARG  66 -10.160  -8.953  -2.045
  493    HE   ARG  66           HE       ARG  66  -9.390  -7.980   0.404
  494   1HH1  ARG  66          1HH2      ARG  66 -10.792  -6.335  -2.453
  495   2HH1  ARG  66          2HH2      ARG  66 -11.110  -4.884  -1.516
  496   1HH2  ARG  66          1HH1      ARG  66  -9.886  -6.070   1.492
  497   2HH2  ARG  66          2HH1      ARG  66 -10.579  -4.700   0.600
  498    H    GLN  67           H        GLN  67  -6.687 -13.120  -1.405
  499    HA   GLN  67           HA       GLN  67  -3.914 -12.211  -1.694
  500   1HB   GLN  67          1HB       GLN  67  -4.585 -14.672  -1.346
  501   2HB   GLN  67          2HB       GLN  67  -5.121 -14.646  -3.041
  502   1HG   GLN  67          1HG       GLN  67  -2.827 -13.972  -3.740
  503   2HG   GLN  67          2HG       GLN  67  -2.347 -13.835  -2.049
  504   1HE2  GLN  67          2HE2      GLN  67  -0.592 -15.278  -2.447
  505   2HE2  GLN  67          1HE2      GLN  67  -0.862 -17.006  -2.593
  506    H    ILE  68           H        ILE  68  -2.987 -11.471  -3.446
  507    HA   ILE  68           HA       ILE  68  -4.486 -10.056  -5.374
  508    HB   ILE  68           HB       ILE  68  -2.146  -9.615  -4.663
  509   1HG1  ILE  68          1HG1      ILE  68  -1.179  -9.005  -6.829
  510   2HG1  ILE  68          2HG1      ILE  68  -2.352 -10.003  -7.680
  511   1HG2  ILE  68          1HG2      ILE  68  -1.290 -11.954  -6.402
  512   2HG2  ILE  68          2HG2      ILE  68  -0.251 -10.819  -5.525
  513   3HG2  ILE  68          3HG2      ILE  68  -1.285 -11.948  -4.631
  514   1HD1  ILE  68          1HD1      ILE  68  -4.173  -8.551  -6.996
  515   2HD1  ILE  68          2HD1      ILE  68  -3.126  -7.685  -5.852
  516   3HD1  ILE  68          3HD1      ILE  68  -2.874  -7.513  -7.598
  517    H    SER  69           H        SER  69  -4.885 -10.507  -7.553
  518    HA   SER  69           HA       SER  69  -4.237 -13.153  -8.641
  519   1HB   SER  69          1HB       SER  69  -6.488 -13.579  -9.406
  520   2HB   SER  69          2HB       SER  69  -6.547 -13.325  -7.652
  521    HG   SER  69           HG       SER  69  -8.189 -12.179  -8.672
  522    H    ARG  70           H        ARG  70  -4.460 -13.031 -11.112
  523    HA   ARG  70           HA       ARG  70  -3.492 -10.510 -12.101
  524   1HB   ARG  70          1HB       ARG  70  -3.019 -12.709 -13.145
  525   2HB   ARG  70          2HB       ARG  70  -4.707 -12.830 -13.664
  526   1HG   ARG  70          1HG       ARG  70  -4.458 -10.873 -15.110
  527   2HG   ARG  70          2HG       ARG  70  -2.839 -10.545 -14.455
  528   1HD   ARG  70          1HD       ARG  70  -2.033 -12.700 -15.346
  529   2HD   ARG  70          2HD       ARG  70  -3.644 -13.041 -16.008
  530    HE   ARG  70           HE       ARG  70  -3.003 -10.599 -17.102
  531   1HH1  ARG  70          1HH2      ARG  70  -1.402 -13.773 -17.083
  532   2HH1  ARG  70          2HH2      ARG  70  -0.672 -13.568 -18.631
  533   1HH2  ARG  70          1HH1      ARG  70  -2.063 -10.319 -19.129
  534   2HH2  ARG  70          2HH1      ARG  70  -1.063 -11.557 -19.838
  535    H    ARG  71           H        ARG  71  -6.777 -11.935 -11.859
  536    HA   ARG  71           HA       ARG  71  -8.115  -9.952 -13.369
  537   1HB   ARG  71          1HB       ARG  71  -8.874 -12.230 -12.009
  538   2HB   ARG  71          2HB       ARG  71  -9.505 -10.994 -10.928
  539   1HG   ARG  71          1HG       ARG  71 -10.131 -11.317 -13.885
  540   2HG   ARG  71          2HG       ARG  71 -11.181 -11.778 -12.547
  541   1HD   ARG  71          1HD       ARG  71 -10.289  -8.953 -13.205
  542   2HD   ARG  71          2HD       ARG  71 -11.862  -9.656 -13.610
  543    HE   ARG  71           HE       ARG  71 -11.640  -9.975 -10.867
  544   1HH1  ARG  71          1HH2      ARG  71 -11.720  -7.237 -13.131
  545   2HH1  ARG  71          2HH2      ARG  71 -12.260  -6.093 -11.940
  546   1HH2  ARG  71          1HH1      ARG  71 -12.435  -8.447  -9.310
  547   2HH2  ARG  71          2HH1      ARG  71 -12.753  -6.819  -9.780
  548    H    LEU  72           H        LEU  72  -7.319 -10.026  -9.811
  549    HA   LEU  72           HA       LEU  72  -8.338  -7.431  -9.286
  550   1HB   LEU  72          1HB       LEU  72  -6.430  -9.297  -7.921
  551   2HB   LEU  72          2HB       LEU  72  -6.205  -7.573  -7.602
  552    HG   LEU  72           HG       LEU  72  -8.569  -7.341  -7.012
  553   1HD1  LEU  72          1HD1      LEU  72  -8.662 -10.385  -7.034
  554   2HD1  LEU  72          2HD1      LEU  72  -9.937  -9.301  -6.443
  555   3HD1  LEU  72          3HD1      LEU  72  -9.529  -9.322  -8.163
  556   1HD2  LEU  72          1HD2      LEU  72  -6.830  -7.624  -5.281
  557   2HD2  LEU  72          2HD2      LEU  72  -8.350  -8.371  -4.771
  558   3HD2  LEU  72          3HD2      LEU  72  -7.020  -9.391  -5.361
  559    H    CYS  73           H        CYS  73  -5.047  -8.447 -10.428
  560    HA   CYS  73           HA       CYS  73  -3.932  -5.874 -10.287
  561   1HB   CYS  73          1HB       CYS  73  -3.379  -8.010 -12.412
  562   2HB   CYS  73          2HB       CYS  73  -2.364  -6.607 -12.073
  563    HG   CYS  73           HG       CYS  73  -3.188  -9.044  -9.974
  564    H    ARG  74           H        ARG  74  -5.667  -7.394 -13.097
  565    HA   ARG  74           HA       ARG  74  -5.551  -5.113 -14.780
  566   1HB   ARG  74          1HB       ARG  74  -7.535  -7.423 -14.545
  567   2HB   ARG  74          2HB       ARG  74  -7.657  -6.214 -15.808
  568   1HG   ARG  74          1HG       ARG  74  -5.243  -8.045 -15.422
  569   2HG   ARG  74          2HG       ARG  74  -6.575  -8.300 -16.548
  570   1HD   ARG  74          1HD       ARG  74  -5.896  -5.797 -17.325
  571   2HD   ARG  74          2HD       ARG  74  -4.344  -6.282 -16.650
  572    HE   ARG  74           HE       ARG  74  -4.020  -7.750 -18.432
  573   1HH1  ARG  74          1HH2      ARG  74  -7.466  -6.822 -18.424
  574   2HH1  ARG  74          2HH2      ARG  74  -7.748  -7.401 -20.022
  575   1HH2  ARG  74          1HH1      ARG  74  -4.346  -8.301 -20.567
  576   2HH2  ARG  74          2HH1      ARG  74  -5.947  -8.342 -21.255
  577    H    ASN  75           H        ASN  75  -7.648  -5.730 -12.005
  578    HA   ASN  75           HA       ASN  75  -9.832  -4.139 -12.833
  579   1HB   ASN  75          1HB       ASN  75  -9.846  -5.866 -11.005
  580   2HB   ASN  75          2HB       ASN  75  -8.970  -4.741  -9.980
  581   1HD2  ASN  75          2HD2      ASN  75 -10.134  -2.987  -8.991
  582   2HD2  ASN  75          1HD2      ASN  75 -11.865  -2.819  -9.179
  583    H    TYR  76           H        TYR  76  -6.755  -3.151 -11.351
  584    HA   TYR  76           HA       TYR  76  -7.863  -0.424 -10.912
  585   1HB   TYR  76          1HB       TYR  76  -5.595  -1.751  -9.416
  586   2HB   TYR  76          2HB       TYR  76  -6.241  -0.144  -9.130
  587    HD1  TYR  76           HD1      TYR  76  -8.290   0.152  -7.803
  588    HD2  TYR  76           HD2      TYR  76  -6.876  -3.756  -8.830
  589    HE1  TYR  76           HE1      TYR  76  -9.984  -0.842  -6.290
  590    HE2  TYR  76           HE2      TYR  76  -8.530  -4.789  -7.314
  591    HH   TYR  76           HH       TYR  76 -10.340  -4.397  -5.881
  592    H    ASP  77           H        ASP  77  -6.495   1.377 -11.462
  593    HA   ASP  77           HA       ASP  77  -5.092   0.705 -13.943
  594   1HB   ASP  77          1HB       ASP  77  -6.818   2.491 -13.779
  595   2HB   ASP  77          2HB       ASP  77  -5.728   3.414 -12.736
  596    H    LEU  78           H        LEU  78  -4.036   1.225 -10.722
  597    HA   LEU  78           HA       LEU  78  -1.241   1.464 -11.591
  598   1HB   LEU  78          1HB       LEU  78  -2.310   3.789 -11.412
  599   2HB   LEU  78          2HB       LEU  78  -2.525   3.496  -9.705
  600    HG   LEU  78           HG       LEU  78  -0.630   4.965 -10.282
  601   1HD1  LEU  78          1HD1      LEU  78   0.896   4.156  -8.710
  602   2HD1  LEU  78          2HD1      LEU  78  -0.682   3.561  -8.207
  603   3HD1  LEU  78          3HD1      LEU  78   0.474   2.460  -9.001
  604   1HD2  LEU  78          1HD2      LEU  78   0.010   3.841 -12.416
  605   2HD2  LEU  78          2HD2      LEU  78   1.364   4.227 -11.346
  606   3HD2  LEU  78          3HD2      LEU  78   0.777   2.560 -11.461
  607    H    ILE  79           H        ILE  79   0.031   0.275 -10.113
  608    HA   ILE  79           HA       ILE  79  -1.467  -0.898  -7.800
  609    HB   ILE  79           HB       ILE  79   0.616  -2.242  -9.556
  610   1HG1  ILE  79          1HG1      ILE  79  -1.394  -1.927 -10.907
  611   2HG1  ILE  79          2HG1      ILE  79  -1.117  -3.615 -10.534
  612   1HG2  ILE  79          1HG2      ILE  79   0.616  -3.179  -7.321
  613   2HG2  ILE  79          2HG2      ILE  79  -1.151  -3.316  -7.320
  614   3HG2  ILE  79          3HG2      ILE  79  -0.172  -4.324  -8.408
  615   1HD1  ILE  79          1HD1      ILE  79  -3.509  -2.975 -10.409
  616   2HD1  ILE  79          2HD1      ILE  79  -2.915  -3.609  -8.869
  617   3HD1  ILE  79          3HD1      ILE  79  -3.149  -1.856  -9.090
  618    H    LEU  80           H        LEU  80  -0.418  -0.929  -5.880
  619    HA   LEU  80           HA       LEU  80   2.221   0.476  -5.692
  620   1HB   LEU  80          1HB       LEU  80  -0.341   0.534  -4.115
  621   2HB   LEU  80          2HB       LEU  80   1.158   0.613  -3.200
  622    HG   LEU  80           HG       LEU  80   1.846   2.626  -4.176
  623   1HD1  LEU  80          1HD1      LEU  80  -0.400   2.331  -6.186
  624   2HD1  LEU  80          2HD1      LEU  80   0.522   3.833  -5.931
  625   3HD1  LEU  80          3HD1      LEU  80   1.341   2.386  -6.516
  626   1HD2  LEU  80          1HD2      LEU  80  -1.176   2.747  -3.717
  627   2HD2  LEU  80          2HD2      LEU  80   0.068   2.802  -2.454
  628   3HD2  LEU  80          3HD2      LEU  80  -0.064   4.123  -3.632
  629    H    THR  81           H        THR  81   3.821  -0.479  -4.485
  630    HA   THR  81           HA       THR  81   3.308  -3.104  -3.204
  631    HB   THR  81           HB       THR  81   5.357  -3.931  -4.464
  632    HG1  THR  81           1HG      THR  81   4.896  -1.538  -5.882
  633   1HG2  THR  81          1HG2      THR  81   3.010  -3.304  -6.287
  634   2HG2  THR  81          2HG2      THR  81   4.195  -4.617  -6.449
  635   3HG2  THR  81          3HG2      THR  81   3.044  -4.628  -5.099
  636    H    MET  82           H        MET  82   5.230  -3.683  -1.752
  637    HA   MET  82           HA       MET  82   6.067  -1.173  -0.447
  638   1HB   MET  82          1HB       MET  82   6.157  -4.095   0.416
  639   2HB   MET  82          2HB       MET  82   6.567  -2.732   1.433
  640   1HG   MET  82          1HG       MET  82   3.827  -3.229   0.219
  641   2HG   MET  82          2HG       MET  82   4.324  -3.689   1.838
  642   1HE   MET  82          1HE       MET  82   2.731   0.367   0.540
  643   2HE   MET  82          2HE       MET  82   3.985  -0.360  -0.480
  644   3HE   MET  82          3HE       MET  82   2.460  -1.228  -0.189
  645    H    GLU  83           H        GLU  83   7.549  -3.908  -2.162
  646    HA   GLU  83           HA       GLU  83  10.258  -2.903  -1.446
  647   1HB   GLU  83          1HB       GLU  83   9.280  -5.795  -1.296
  648   2HB   GLU  83          2HB       GLU  83  10.941  -5.256  -1.042
  649   1HG   GLU  83          1HG       GLU  83  10.274  -4.084   1.022
  650   2HG   GLU  83          2HG       GLU  83   8.582  -4.501   0.738
  651    H    LYS  84           H        LYS  84  11.928  -3.687  -2.984
  652    HA   LYS  84           HA       LYS  84  11.064  -3.620  -5.671
  653   1HB   LYS  84          1HB       LYS  84  13.702  -4.662  -4.531
  654   2HB   LYS  84          2HB       LYS  84  13.357  -4.379  -6.234
  655   1HG   LYS  84          1HG       LYS  84  14.293  -2.372  -5.855
  656   2HG   LYS  84          2HG       LYS  84  12.668  -1.937  -5.343
  657   1HD   LYS  84          1HD       LYS  84  13.413  -2.433  -2.935
  658   2HD   LYS  84          2HD       LYS  84  15.050  -2.680  -3.581
  659   1HE   LYS  84          1HE       LYS  84  14.877  -0.344  -4.606
  660   2HE   LYS  84          2HE       LYS  84  13.362  -0.139  -3.728
  661   1HZ   LYS  84          1HZ       LYS  84  14.739  -0.554  -1.634
  662   2HZ   LYS  84          2HZ       LYS  84  16.066  -0.385  -2.584
  663   3HZ   LYS  84          3HZ       LYS  84  14.972   0.837  -2.419
  664    H    ARG  85           H        ARG  85  11.786  -6.490  -3.613
  665    HA   ARG  85           HA       ARG  85  11.256  -8.415  -5.631
  666   1HB   ARG  85          1HB       ARG  85  10.808  -9.991  -3.807
  667   2HB   ARG  85          2HB       ARG  85  12.301  -9.088  -3.568
  668   1HG   ARG  85          1HG       ARG  85  11.257  -7.678  -1.868
  669   2HG   ARG  85          2HG       ARG  85   9.674  -8.399  -2.192
  670   1HD   ARG  85          1HD       ARG  85  10.523 -10.602  -1.445
  671   2HD   ARG  85          2HD       ARG  85  12.078  -9.850  -1.035
  672    HE   ARG  85           HE       ARG  85  10.673  -8.291   0.456
  673   1HH1  ARG  85          1HH1      ARG  85  10.122 -11.785   0.143
  674   2HH1  ARG  85          2HH1      ARG  85   9.209 -11.899   1.600
  675   1HH2  ARG  85          1HH2      ARG  85   9.293  -8.373   2.203
  676   2HH2  ARG  85          2HH2      ARG  85   8.821  -9.909   2.881
  677    H    HIS  86           H        HIS  86   8.920  -6.423  -3.790
  678    HA   HIS  86           HA       HIS  86   6.667  -8.157  -4.502
  679   1HB   HIS  86          1HB       HIS  86   6.732  -5.288  -3.494
  680   2HB   HIS  86          2HB       HIS  86   5.275  -6.211  -3.832
  681    HD1  HIS  86           HD1      HIS  86   7.829  -8.261  -1.945
  682    HD2  HIS  86           HD2      HIS  86   4.633  -5.636  -1.248
  683    HE1  HIS  86           HE1      HIS  86   7.283  -8.438   0.531
  684    H    ILE  87           H        ILE  87   8.259  -5.168  -5.831
  685    HA   ILE  87           HA       ILE  87   6.414  -4.691  -7.902
  686    HB   ILE  87           HB       ILE  87   9.432  -4.422  -8.171
  687   1HG1  ILE  87          1HG1      ILE  87   7.562  -2.245  -7.151
  688   2HG1  ILE  87          2HG1      ILE  87   8.584  -3.228  -6.108
  689   1HG2  ILE  87          1HG2      ILE  87   8.130  -4.171 -10.287
  690   2HG2  ILE  87          2HG2      ILE  87   7.201  -2.858  -9.538
  691   3HG2  ILE  87          3HG2      ILE  87   8.942  -2.687  -9.825
  692   1HD1  ILE  87          1HD1      ILE  87   9.870  -1.327  -6.413
  693   2HD1  ILE  87          2HD1      ILE  87  10.568  -2.436  -7.594
  694   3HD1  ILE  87          3HD1      ILE  87   9.445  -1.162  -8.129
  695    H    GLU  88           H        GLU  88   9.326  -6.834  -7.811
  696    HA   GLU  88           HA       GLU  88   9.058  -7.785 -10.459
  697   1HB   GLU  88          1HB       GLU  88  10.332  -9.056  -7.998
  698   2HB   GLU  88          2HB       GLU  88  10.450  -9.729  -9.629
  699   1HG   GLU  88          1HG       GLU  88  11.487  -7.629 -10.438
  700   2HG   GLU  88          2HG       GLU  88  11.418  -6.954  -8.813
  701    H    ARG  89           H        ARG  89   7.723  -9.195  -7.384
  702    HA   ARG  89           HA       ARG  89   6.595 -11.451  -8.729
  703   1HB   ARG  89          1HB       ARG  89   5.837 -10.159  -6.097
  704   2HB   ARG  89          2HB       ARG  89   5.155 -11.672  -6.705
  705   1HG   ARG  89          1HG       ARG  89   8.074 -11.179  -6.063
  706   2HG   ARG  89          2HG       ARG  89   6.922 -12.119  -5.101
  707   1HD   ARG  89          1HD       ARG  89   6.717 -13.635  -7.183
  708   2HD   ARG  89          2HD       ARG  89   8.116 -12.730  -7.813
  709    HE   ARG  89           HE       ARG  89   8.566 -13.761  -5.153
  710   1HH1  ARG  89          1HH2      ARG  89   8.662 -14.638  -8.612
  711   2HH1  ARG  89          2HH2      ARG  89   9.780 -15.941  -8.371
  712   1HH2  ARG  89          1HH1      ARG  89  10.067 -15.476  -4.864
  713   2HH2  ARG  89          2HH1      ARG  89  10.600 -16.413  -6.206
  714    H    LEU  90           H        LEU  90   5.242  -8.165  -8.073
  715    HA   LEU  90           HA       LEU  90   2.640  -8.864  -9.095
  716   1HB   LEU  90          1HB       LEU  90   4.067  -6.346  -8.367
  717   2HB   LEU  90          2HB       LEU  90   2.818  -6.178  -9.585
  718    HG   LEU  90           HG       LEU  90   1.967  -5.688  -7.379
  719   1HD1  LEU  90          1HD1      LEU  90   0.680  -8.254  -8.398
  720   2HD1  LEU  90          2HD1      LEU  90  -0.072  -6.945  -7.475
  721   3HD1  LEU  90          3HD1      LEU  90   0.464  -6.655  -9.133
  722   1HD2  LEU  90          1HD2      LEU  90   3.417  -7.218  -6.070
  723   2HD2  LEU  90          2HD2      LEU  90   1.719  -7.373  -5.649
  724   3HD2  LEU  90          3HD2      LEU  90   2.481  -8.605  -6.669
  725    H    CYS  91           H        CYS  91   5.646  -7.685 -10.692
  726    HA   CYS  91           HA       CYS  91   4.425  -7.380 -13.266
  727   1HB   CYS  91          1HB       CYS  91   7.303  -8.055 -12.514
  728   2HB   CYS  91          2HB       CYS  91   6.736  -7.643 -14.141
  729    HG   CYS  91           HG       CYS  91   6.560  -5.864 -11.362
  730    H    GLU  92           H        GLU  92   5.776 -10.294 -11.561
  731    HA   GLU  92           HA       GLU  92   5.359 -12.021 -13.802
  732   1HB   GLU  92          1HB       GLU  92   5.486 -12.628 -10.823
  733   2HB   GLU  92          2HB       GLU  92   5.331 -13.855 -12.081
  734   1HG   GLU  92          1HG       GLU  92   7.436 -13.019 -13.137
  735   2HG   GLU  92          2HG       GLU  92   7.650 -11.906 -11.786
  736    H    MET  93           H        MET  93   3.172 -10.978 -11.127
  737    HA   MET  93           HA       MET  93   1.016 -12.711 -11.836
  738   1HB   MET  93          1HB       MET  93   1.029  -9.999 -10.443
  739   2HB   MET  93          2HB       MET  93  -0.412 -10.970 -10.655
  740   1HG   MET  93          1HG       MET  93   2.077 -11.814  -9.136
  741   2HG   MET  93          2HG       MET  93   0.573 -11.252  -8.425
  742   1HE   MET  93          1HE       MET  93  -1.894 -14.230  -9.195
  743   2HE   MET  93          2HE       MET  93  -1.734 -12.556  -8.615
  744   3HE   MET  93          3HE       MET  93  -1.620 -12.915 -10.356
  745    H    ALA  94           H        ALA  94   1.937  -9.464 -13.073
  746    HA   ALA  94           HA       ALA  94   0.033  -9.844 -15.316
  747   1HB   ALA  94          1HB       ALA  94  -0.005  -7.440 -13.448
  748   2HB   ALA  94          2HB       ALA  94  -0.902  -7.588 -14.976
  749   3HB   ALA  94          3HB       ALA  94  -1.273  -8.671 -13.621
  750    HA   PRO  95           HA       PRO  95   4.209  -8.232 -16.471
  751   1HB   PRO  95          1HB       PRO  95   4.429  -9.457 -18.938
  752   2HB   PRO  95          2HB       PRO  95   4.851 -10.228 -17.380
  753   1HG   PRO  95          1HG       PRO  95   2.272 -10.480 -18.948
  754   2HG   PRO  95          2HG       PRO  95   3.243 -11.783 -18.193
  755   1HD   PRO  95          1HD       PRO  95   1.046 -10.754 -16.978
  756   2HD   PRO  95          2HD       PRO  95   2.491 -11.207 -16.023
  757    H    GLU  96           H        GLU  96   1.143  -8.163 -18.218
  758    HA   GLU  96           HA       GLU  96   1.677  -6.181 -20.158
  759   1HB   GLU  96          1HB       GLU  96  -0.840  -6.587 -18.480
  760   2HB   GLU  96          2HB       GLU  96  -0.753  -5.747 -20.034
  761   1HG   GLU  96          1HG       GLU  96  -0.120  -7.845 -21.160
  762   2HG   GLU  96          2HG       GLU  96  -0.114  -8.694 -19.604
  763    H    MET  97           H        MET  97   1.421  -5.963 -16.683
  764    HA   MET  97           HA       MET  97   0.984  -3.030 -16.720
  765   1HB   MET  97          1HB       MET  97   0.791  -5.047 -14.444
  766   2HB   MET  97          2HB       MET  97   0.440  -3.323 -14.340
  767   1HG   MET  97          1HG       MET  97  -1.309  -3.619 -16.137
  768   2HG   MET  97          2HG       MET  97  -1.023  -5.358 -16.062
  769   1HE   MET  97          1HE       MET  97  -2.686  -2.242 -14.457
  770   2HE   MET  97          2HE       MET  97  -3.050  -2.776 -12.805
  771   3HE   MET  97          3HE       MET  97  -1.369  -2.497 -13.287
  772    H    ARG  98           H        ARG  98   3.699  -4.726 -17.107
  773    HA   ARG  98           HA       ARG  98   5.411  -3.749 -15.037
  774   1HB   ARG  98          1HB       ARG  98   7.233  -4.091 -16.566
  775   2HB   ARG  98          2HB       ARG  98   6.098  -5.431 -16.704
  776   1HG   ARG  98          1HG       ARG  98   5.136  -4.241 -18.774
  777   2HG   ARG  98          2HG       ARG  98   6.509  -3.134 -18.668
  778   1HD   ARG  98          1HD       ARG  98   6.675  -6.163 -18.974
  779   2HD   ARG  98          2HD       ARG  98   6.881  -5.003 -20.280
  780    HE   ARG  98           HE       ARG  98   8.786  -5.720 -18.185
  781   1HH1  ARG  98          1HH2      ARG  98   8.018  -3.303 -20.674
  782   2HH1  ARG  98          2HH2      ARG  98   9.624  -2.682 -20.766
  783   1HH2  ARG  98          1HH1      ARG  98  10.922  -4.891 -18.305
  784   2HH2  ARG  98          2HH1      ARG  98  11.309  -3.613 -19.392
  785    H    GLY  99           H        GLY  99   6.293  -1.716 -14.674
  786   1HA   GLY  99          1HA       GLY  99   6.661   0.550 -14.970
  787   2HA   GLY  99          2HA       GLY  99   5.872   0.497 -16.548
  788    H    LYS 100           H        LYS 100   3.593  -0.995 -14.681
  789    HA   LYS 100           HA       LYS 100   2.384   1.524 -13.623
  790   1HB   LYS 100          1HB       LYS 100   0.930  -0.991 -14.524
  791   2HB   LYS 100          2HB       LYS 100   0.212   0.510 -13.940
  792   1HG   LYS 100          1HG       LYS 100   1.217   1.715 -15.915
  793   2HG   LYS 100          2HG       LYS 100   1.836   0.168 -16.504
  794   1HD   LYS 100          1HD       LYS 100  -0.148   0.626 -17.718
  795   2HD   LYS 100          2HD       LYS 100  -0.511  -0.703 -16.600
  796   1HE   LYS 100          1HE       LYS 100  -1.613   0.863 -15.056
  797   2HE   LYS 100          2HE       LYS 100  -1.140   2.239 -16.050
  798   1HZ   LYS 100          1HZ       LYS 100  -3.437   1.621 -16.413
  799   2HZ   LYS 100          2HZ       LYS 100  -2.586   1.412 -17.796
  800   3HZ   LYS 100          3HZ       LYS 100  -3.017   0.112 -16.898
  801    H    VAL 101           H        VAL 101   3.877  -1.396 -12.754
  802    HA   VAL 101           HA       VAL 101   2.612  -1.475 -10.074
  803    HB   VAL 101           HB       VAL 101   4.987  -3.003 -11.247
  804   1HG1  VAL 101          1HG1      VAL 101   3.337  -3.588  -8.749
  805   2HG1  VAL 101          2HG1      VAL 101   4.754  -4.480  -9.357
  806   3HG1  VAL 101          3HG1      VAL 101   4.947  -2.844  -8.732
  807   1HG2  VAL 101          1HG2      VAL 101   2.109  -3.962 -10.871
  808   2HG2  VAL 101          2HG2      VAL 101   2.883  -3.626 -12.428
  809   3HG2  VAL 101          3HG2      VAL 101   3.489  -4.938 -11.435
  810    H    MET 102           H        MET 102   3.492  -0.243  -8.417
  811    HA   MET 102           HA       MET 102   6.029   1.256  -8.994
  812   1HB   MET 102          1HB       MET 102   3.555   2.352  -7.615
  813   2HB   MET 102          2HB       MET 102   4.941   3.251  -8.222
  814   1HG   MET 102          1HG       MET 102   2.877   1.796  -9.927
  815   2HG   MET 102          2HG       MET 102   2.844   3.497  -9.544
  816   1HE   MET 102          1HE       MET 102   5.015   5.136 -10.141
  817   2HE   MET 102          2HE       MET 102   5.086   5.252 -11.915
  818   3HE   MET 102          3HE       MET 102   3.510   5.230 -11.090
  819    H    LEU 103           H        LEU 103   7.456   1.365  -7.255
  820    HA   LEU 103           HA       LEU 103   6.845   0.118  -4.728
  821   1HB   LEU 103          1HB       LEU 103   9.159   0.721  -5.985
  822   2HB   LEU 103          2HB       LEU 103   9.044   2.180  -5.027
  823    HG   LEU 103           HG       LEU 103   9.028  -0.685  -3.960
  824   1HD1  LEU 103          1HD1      LEU 103  11.164   1.488  -3.780
  825   2HD1  LEU 103          2HD1      LEU 103  11.255  -0.147  -3.085
  826   3HD1  LEU 103          3HD1      LEU 103  11.220   0.068  -4.846
  827   1HD2  LEU 103          1HD2      LEU 103   7.766   0.679  -2.397
  828   2HD2  LEU 103          2HD2      LEU 103   9.349   0.386  -1.729
  829   3HD2  LEU 103          3HD2      LEU 103   9.024   1.965  -2.452
  830    H    PHE 104           H        PHE 104   5.616   1.083  -3.085
  831    HA   PHE 104           HA       PHE 104   4.438   3.591  -3.518
  832   1HB   PHE 104          1HB       PHE 104   3.549   1.720  -2.102
  833   2HB   PHE 104          2HB       PHE 104   4.736   2.128  -0.867
  834    HD1  PHE 104           HD1      PHE 104   3.446   2.921   0.955
  835    HD2  PHE 104           HD2      PHE 104   2.546   4.374  -2.997
  836    HE1  PHE 104           HE1      PHE 104   1.672   4.406   1.884
  837    HE2  PHE 104           HE2      PHE 104   0.838   5.860  -2.079
  838    HZ   PHE 104           HZ       PHE 104   0.285   5.789   0.324
  839    H    GLY 105           H        GLY 105   7.307   2.741  -1.554
  840   1HA   GLY 105          1HA       GLY 105   7.629   5.444  -0.527
  841   2HA   GLY 105          2HA       GLY 105   8.719   4.074  -0.301
  842    H    HIS 106           H        HIS 106   7.904   4.754  -3.637
  843    HA   HIS 106           HA       HIS 106  10.493   4.969  -4.519
  844   1HB   HIS 106          1HB       HIS 106   8.783   4.512  -6.041
  845   2HB   HIS 106          2HB       HIS 106   7.890   5.983  -5.636
  846    HD1  HIS 106           HD1      HIS 106  11.115   4.959  -7.597
  847    HD2  HIS 106           HD2      HIS 106   8.387   8.142  -7.032
  848    HE1  HIS 106           HE1      HIS 106  11.673   6.712  -9.343
  849    H    TRP 107           H        TRP 107   8.362   7.765  -3.677
  850    HA   TRP 107           HA       TRP 107  10.124   9.748  -4.596
  851   1HB   TRP 107          1HB       TRP 107   8.266  10.119  -2.241
  852   2HB   TRP 107          2HB       TRP 107   8.723  11.295  -3.463
  853    HD1  TRP 107           HD1      TRP 107   6.203   8.660  -2.627
  854    HE1  TRP 107           HE1      TRP 107   4.418   8.470  -4.416
  855    HE3  TRP 107           HE3      TRP 107   8.355  11.595  -6.253
  856    HZ2  TRP 107           HZ2      TRP 107   3.903   9.505  -7.062
  857    HZ3  TRP 107           HZ3      TRP 107   7.157  11.996  -8.390
  858    HH2  TRP 107           HH2      TRP 107   4.909  10.982  -8.781
  859    H    ASP 108           H        ASP 108  10.115   7.958  -1.542
  860    HA   ASP 108           HA       ASP 108  12.093   9.815  -0.316
  861   1HB   ASP 108          1HB       ASP 108  10.134   9.036   1.027
  862   2HB   ASP 108          2HB       ASP 108  10.714   7.378   0.875
  863    H    ASN 109           H        ASN 109  13.297   9.174  -2.334
  864    HA   ASN 109           HA       ASN 109  15.041   8.087  -3.303
  865   1HB   ASN 109          1HB       ASN 109  15.994   9.199  -1.311
  866   2HB   ASN 109          2HB       ASN 109  15.772   7.712  -0.388
  867   1HD2  ASN 109          2HD2      ASN 109  17.913   7.344   0.063
  868   2HD2  ASN 109          1HD2      ASN 109  19.128   6.976  -1.141
  869    H    GLU 110           H        GLU 110  12.830   6.433  -3.277
  870    HA   GLU 110           HA       GLU 110  12.063   4.326  -3.306
  871   1HB   GLU 110          1HB       GLU 110  14.816   3.666  -4.404
  872   2HB   GLU 110          2HB       GLU 110  13.300   2.783  -4.666
  873   1HG   GLU 110          1HG       GLU 110  12.385   5.041  -5.564
  874   2HG   GLU 110          2HG       GLU 110  14.070   5.533  -5.685
  875    H    CYS 111           H        CYS 111  12.788   4.966  -0.745
  876    HA   CYS 111           HA       CYS 111  14.077   2.729   0.565
  877   1HB   CYS 111          1HB       CYS 111  12.103   4.865   1.452
  878   2HB   CYS 111          2HB       CYS 111  12.684   3.582   2.539
  879    HG   CYS 111           HG       CYS 111  14.288   5.938   0.927
  880    H    GLU 112           H        GLU 112  13.328   0.682   0.457
  881    HA   GLU 112           HA       GLU 112  10.573   0.028  -0.078
  882   1HB   GLU 112          1HB       GLU 112  11.178  -2.222   0.413
  883   2HB   GLU 112          2HB       GLU 112  12.361  -1.526  -0.664
  884   1HG   GLU 112          1HG       GLU 112  12.709  -1.985   2.340
  885   2HG   GLU 112          2HG       GLU 112  13.294  -3.048   1.068
  886    H    ILE 113           H        ILE 113   9.019  -0.842   1.370
  887    HA   ILE 113           HA       ILE 113   9.126   0.476   3.990
  888    HB   ILE 113           HB       ILE 113   6.853  -1.201   2.930
  889   1HG1  ILE 113          1HG1      ILE 113   7.235   0.373   1.120
  890   2HG1  ILE 113          2HG1      ILE 113   5.763   0.752   1.979
  891   1HG2  ILE 113          1HG2      ILE 113   6.919   1.130   4.880
  892   2HG2  ILE 113          2HG2      ILE 113   5.488   0.200   4.380
  893   3HG2  ILE 113          3HG2      ILE 113   6.770  -0.592   5.288
  894   1HD1  ILE 113          1HD1      ILE 113   7.037   2.759   1.332
  895   2HD1  ILE 113          2HD1      ILE 113   6.781   2.649   3.076
  896   3HD1  ILE 113          3HD1      ILE 113   8.378   2.253   2.376
  897    HA   PRO 114           HA       PRO 114  10.394  -3.494   5.865
  898   1HB   PRO 114          1HB       PRO 114   9.224  -2.289   8.350
  899   2HB   PRO 114          2HB       PRO 114  10.818  -3.050   8.109
  900   1HG   PRO 114          1HG       PRO 114  10.550  -0.337   8.286
  901   2HG   PRO 114          2HG       PRO 114  11.717  -1.089   7.152
  902   1HD   PRO 114          1HD       PRO 114   8.985   0.050   6.545
  903   2HD   PRO 114          2HD       PRO 114  10.513   0.178   5.622
  904    H    ASP 115           H        ASP 115   9.252  -5.117   7.427
  905    HA   ASP 115           HA       ASP 115   6.323  -5.274   6.859
  906   1HB   ASP 115          1HB       ASP 115   7.249  -6.973   5.530
  907   2HB   ASP 115          2HB       ASP 115   8.466  -7.389   6.746
  908    HA   PRO 116           HA       PRO 116   6.892  -5.223  11.339
  909   1HB   PRO 116          1HB       PRO 116   4.564  -4.156  12.128
  910   2HB   PRO 116          2HB       PRO 116   5.718  -3.196  11.160
  911   1HG   PRO 116          1HG       PRO 116   3.270  -4.696  10.188
  912   2HG   PRO 116          2HG       PRO 116   3.748  -3.011   9.815
  913   1HD   PRO 116          1HD       PRO 116   4.326  -5.213   8.209
  914   2HD   PRO 116          2HD       PRO 116   5.320  -3.733   8.226
  915    H    TYR 117           H        TYR 117   4.854  -7.342   9.518
  916    HA   TYR 117           HA       TYR 117   3.061  -8.331  11.365
  917   1HB   TYR 117          1HB       TYR 117   3.062  -8.798   8.966
  918   2HB   TYR 117          2HB       TYR 117   4.582  -9.676   9.111
  919    HD1  TYR 117           HD1      TYR 117   1.259  -9.800  10.895
  920    HD2  TYR 117           HD2      TYR 117   4.322 -11.922   8.742
  921    HE1  TYR 117           HE1      TYR 117   0.004 -11.928  11.219
  922    HE2  TYR 117           HE2      TYR 117   3.067 -14.048   9.018
  923    HH   TYR 117           HH       TYR 117   1.170 -15.068   9.914
  924    H    ARG 118           H        ARG 118   3.177  -9.561  13.141
  925    HA   ARG 118           HA       ARG 118   3.941 -10.724  14.880
  926   1HB   ARG 118          1HB       ARG 118   5.744 -12.127  12.879
  927   2HB   ARG 118          2HB       ARG 118   5.373 -12.690  14.506
  928   1HG   ARG 118          1HG       ARG 118   2.978 -12.855  13.960
  929   2HG   ARG 118          2HG       ARG 118   3.300 -12.317  12.309
  930   1HD   ARG 118          1HD       ARG 118   4.465 -14.822  13.586
  931   2HD   ARG 118          2HD       ARG 118   3.053 -14.780  12.514
  932    HE   ARG 118           HE       ARG 118   5.120 -13.491  11.140
  933   1HH1  ARG 118          1HH2      ARG 118   4.449 -16.760  12.345
  934   2HH1  ARG 118          2HH2      ARG 118   5.378 -17.557  11.131
  935   1HH2  ARG 118          1HH1      ARG 118   6.388 -14.549   9.530
  936   2HH2  ARG 118          2HH1      ARG 118   6.497 -16.265   9.493
  937    H    LYS 119           H        LYS 119   5.422  -8.144  14.134
  938    HA   LYS 119           HA       LYS 119   7.736  -8.630  15.975
  939   1HB   LYS 119          1HB       LYS 119   7.529  -6.615  13.708
  940   2HB   LYS 119          2HB       LYS 119   8.901  -6.803  14.803
  941   1HG   LYS 119          1HG       LYS 119   9.359  -9.051  13.979
  942   2HG   LYS 119          2HG       LYS 119   7.904  -9.035  12.997
  943   1HD   LYS 119          1HD       LYS 119   8.938  -6.969  11.797
  944   2HD   LYS 119          2HD       LYS 119  10.447  -7.474  12.569
  945   1HE   LYS 119          1HE       LYS 119  10.444  -8.500  10.419
  946   2HE   LYS 119          2HE       LYS 119  10.054  -9.796  11.557
  947   1HZ   LYS 119          1HZ       LYS 119   7.681  -9.466  10.942
  948   2HZ   LYS 119          2HZ       LYS 119   8.130  -8.285   9.884
  949   3HZ   LYS 119          3HZ       LYS 119   8.589  -9.827   9.623
  950    H    SER 120           H        SER 120   8.421  -6.352  16.932
  951    HA   SER 120           HA       SER 120   6.421  -5.812  18.835
  952   1HB   SER 120          1HB       SER 120   8.839  -4.088  18.155
  953   2HB   SER 120          2HB       SER 120   8.027  -4.228  19.725
  954    HG   SER 120           HG       SER 120   9.934  -5.497  19.616
  955    H    ARG 121           H        ARG 121   5.390  -3.731  19.391
  956    HA   ARG 121           HA       ARG 121   3.943  -2.540  17.288
  957   1HB   ARG 121          1HB       ARG 121   3.339  -2.581  19.728
  958   2HB   ARG 121          2HB       ARG 121   4.548  -1.320  20.015
  959   1HG   ARG 121          1HG       ARG 121   3.283   0.201  18.470
  960   2HG   ARG 121          2HG       ARG 121   2.097  -1.090  18.204
  961   1HD   ARG 121          1HD       ARG 121   1.631  -1.102  20.670
  962   2HD   ARG 121          2HD       ARG 121   2.721   0.268  20.867
  963    HE   ARG 121           HE       ARG 121   0.007   0.234  19.809
  964   1HH1  ARG 121          1HH1      ARG 121   2.998   2.219  19.952
  965   2HH1  ARG 121          2HH1      ARG 121   2.097   3.699  19.670
  966   1HH2  ARG 121          1HH2      ARG 121  -1.052   2.340  19.453
  967   2HH2  ARG 121          2HH2      ARG 121  -0.014   3.748  19.405
  968    H    GLU 122           H        GLU 122   7.100  -1.594  18.653
  969    HA   GLU 122           HA       GLU 122   7.334   0.951  17.496
  970   1HB   GLU 122          1HB       GLU 122   8.878  -0.203  19.156
  971   2HB   GLU 122          2HB       GLU 122   9.519  -1.150  17.818
  972   1HG   GLU 122          1HG       GLU 122  11.040   0.641  18.226
  973   2HG   GLU 122          2HG       GLU 122  10.239   1.005  16.708
  974    H    THR 123           H        THR 123   7.647  -2.284  15.992
  975    HA   THR 123           HA       THR 123   8.821  -1.323  13.534
  976    HB   THR 123           HB       THR 123   7.115  -3.787  13.495
  977    HG1  THR 123           1HG      THR 123   7.882  -4.158  15.446
  978   1HG2  THR 123          1HG2      THR 123  10.001  -3.215  12.686
  979   2HG2  THR 123          2HG2      THR 123   9.100  -4.707  12.353
  980   3HG2  THR 123          3HG2      THR 123   8.589  -3.184  11.606
  981    H    PHE 124           H        PHE 124   5.448  -1.949  14.677
  982    HA   PHE 124           HA       PHE 124   4.204  -1.309  12.163
  983   1HB   PHE 124          1HB       PHE 124   3.182  -1.281  15.029
  984   2HB   PHE 124          2HB       PHE 124   2.186  -0.866  13.645
  985    HD1  PHE 124           HD1      PHE 124   1.329  -2.542  12.127
  986    HD2  PHE 124           HD2      PHE 124   4.017  -3.650  15.314
  987    HE1  PHE 124           HE1      PHE 124   0.754  -4.941  11.806
  988    HE2  PHE 124           HE2      PHE 124   3.443  -6.029  14.966
  989    HZ   PHE 124           HZ       PHE 124   1.808  -6.680  13.216
  990    H    ALA 125           H        ALA 125   5.163   0.692  15.008
  991    HA   ALA 125           HA       ALA 125   4.036   3.126  14.036
  992   1HB   ALA 125          1HB       ALA 125   4.739   2.775  16.378
  993   2HB   ALA 125          2HB       ALA 125   6.441   2.711  15.861
  994   3HB   ALA 125          3HB       ALA 125   5.510   4.207  15.664
  995    H    ALA 126           H        ALA 126   7.354   1.744  13.619
  996    HA   ALA 126           HA       ALA 126   8.390   3.893  12.072
  997   1HB   ALA 126          1HB       ALA 126   9.794   2.124  13.072
  998   2HB   ALA 126          2HB       ALA 126   9.081   0.917  11.977
  999   3HB   ALA 126          3HB       ALA 126  10.066   2.241  11.322
 1000    H    VAL 127           H        VAL 127   6.760   0.842  11.035
 1001    HA   VAL 127           HA       VAL 127   6.831   1.413   8.257
 1002    HB   VAL 127           HB       VAL 127   5.096  -0.361  10.005
 1003   1HG1  VAL 127          1HG1      VAL 127   4.357  -1.513   7.907
 1004   2HG1  VAL 127          2HG1      VAL 127   3.665   0.097   8.100
 1005   3HG1  VAL 127          3HG1      VAL 127   5.010  -0.156   6.967
 1006   1HG2  VAL 127          1HG2      VAL 127   7.561  -0.875   9.641
 1007   2HG2  VAL 127          2HG2      VAL 127   6.478  -2.127   9.054
 1008   3HG2  VAL 127          3HG2      VAL 127   7.218  -0.998   7.904
 1009    H    TYR 128           H        TYR 128   4.248   2.198  10.715
 1010    HA   TYR 128           HA       TYR 128   2.498   3.437   8.892
 1011   1HB   TYR 128          1HB       TYR 128   1.938   2.915  11.239
 1012   2HB   TYR 128          2HB       TYR 128   3.039   4.166  11.802
 1013    HD1  TYR 128           HD1      TYR 128  -0.319   3.446  10.648
 1014    HD2  TYR 128           HD2      TYR 128   2.565   6.625  11.127
 1015    HE1  TYR 128           HE1      TYR 128  -2.112   5.122  10.366
 1016    HE2  TYR 128           HE2      TYR 128   0.801   8.297  10.749
 1017    HH   TYR 128           HH       TYR 128  -2.647   7.377  10.283
 1018    H    THR 129           H        THR 129   5.302   4.855  10.691
 1019    HA   THR 129           HA       THR 129   4.854   7.511   9.791
 1020    HB   THR 129           HB       THR 129   7.477   6.179  10.609
 1021    HG1  THR 129           1HG      THR 129   5.986   5.862  12.220
 1022   1HG2  THR 129          1HG2      THR 129   7.830   8.430   9.670
 1023   2HG2  THR 129          2HG2      THR 129   6.571   9.094  10.733
 1024   3HG2  THR 129          3HG2      THR 129   8.080   8.447  11.420
 1025    H    LEU 130           H        LEU 130   6.928   4.886   8.412
 1026    HA   LEU 130           HA       LEU 130   7.926   6.515   6.272
 1027   1HB   LEU 130          1HB       LEU 130   9.059   4.526   7.122
 1028   2HB   LEU 130          2HB       LEU 130   7.698   3.505   6.650
 1029    HG   LEU 130           HG       LEU 130   8.145   3.884   4.296
 1030   1HD1  LEU 130          1HD1      LEU 130  10.493   5.615   5.158
 1031   2HD1  LEU 130          2HD1      LEU 130  10.153   5.084   3.499
 1032   3HD1  LEU 130          3HD1      LEU 130   9.046   6.197   4.300
 1033   1HD2  LEU 130          1HD2      LEU 130  10.272   2.692   4.153
 1034   2HD2  LEU 130          2HD2      LEU 130  10.687   3.187   5.813
 1035   3HD2  LEU 130          3HD2      LEU 130   9.309   2.111   5.526
 1036    H    LEU 131           H        LEU 131   5.088   4.329   6.550
 1037    HA   LEU 131           HA       LEU 131   4.264   4.580   3.807
 1038   1HB   LEU 131          1HB       LEU 131   2.756   3.919   6.372
 1039   2HB   LEU 131          2HB       LEU 131   1.977   3.970   4.798
 1040    HG   LEU 131           HG       LEU 131   4.292   2.102   5.475
 1041   1HD1  LEU 131          1HD1      LEU 131   1.315   1.524   5.181
 1042   2HD1  LEU 131          2HD1      LEU 131   2.594   0.336   5.506
 1043   3HD1  LEU 131          3HD1      LEU 131   2.211   1.564   6.722
 1044   1HD2  LEU 131          1HD2      LEU 131   3.515   0.950   3.371
 1045   2HD2  LEU 131          2HD2      LEU 131   2.503   2.361   3.037
 1046   3HD2  LEU 131          3HD2      LEU 131   4.276   2.519   3.107
 1047    H    GLU 132           H        GLU 132   3.615   6.563   6.747
 1048    HA   GLU 132           HA       GLU 132   1.718   8.280   5.506
 1049   1HB   GLU 132          1HB       GLU 132   2.007   8.134   7.926
 1050   2HB   GLU 132          2HB       GLU 132   3.641   8.801   7.809
 1051   1HG   GLU 132          1HG       GLU 132   2.740  10.922   6.930
 1052   2HG   GLU 132          2HG       GLU 132   1.111  10.239   6.940
 1053    H    ARG 133           H        ARG 133   5.332   8.595   5.810
 1054    HA   ARG 133           HA       ARG 133   5.521  10.982   4.275
 1055   1HB   ARG 133          1HB       ARG 133   7.493   8.640   4.357
 1056   2HB   ARG 133          2HB       ARG 133   7.801  10.226   3.654
 1057   1HG   ARG 133          1HG       ARG 133   7.132  11.128   6.041
 1058   2HG   ARG 133          2HG       ARG 133   7.496   9.477   6.557
 1059   1HD   ARG 133          1HD       ARG 133   9.375  11.368   5.072
 1060   2HD   ARG 133          2HD       ARG 133   9.439  11.023   6.791
 1061    HE   ARG 133           HE       ARG 133  10.309   9.286   4.551
 1062   1HH1  ARG 133          1HH2      ARG 133   9.835   9.485   8.079
 1063   2HH1  ARG 133          2HH2      ARG 133  11.017   8.273   8.415
 1064   1HH2  ARG 133          1HH1      ARG 133  11.779   7.799   4.952
 1065   2HH2  ARG 133          2HH1      ARG 133  12.203   7.266   6.571
 1066    H    SER 134           H        SER 134   5.491   7.579   3.190
 1067    HA   SER 134           HA       SER 134   5.871   8.080   0.435
 1068   1HB   SER 134          1HB       SER 134   4.261   5.832   1.724
 1069   2HB   SER 134          2HB       SER 134   4.959   5.839   0.102
 1070    HG   SER 134           HG       SER 134   6.341   5.876   2.605
 1071    H    ALA 135           H        ALA 135   2.793   7.701   2.285
 1072    HA   ALA 135           HA       ALA 135   1.085   8.150   0.077
 1073   1HB   ALA 135          1HB       ALA 135   0.569   8.673   3.037
 1074   2HB   ALA 135          2HB       ALA 135  -0.660   8.437   1.772
 1075   3HB   ALA 135          3HB       ALA 135   0.405   7.095   2.241
 1076    H    ARG 136           H        ARG 136   2.603  10.480   2.372
 1077    HA   ARG 136           HA       ARG 136   0.974  12.723   1.557
 1078   1HB   ARG 136          1HB       ARG 136   2.259  12.646   3.696
 1079   2HB   ARG 136          2HB       ARG 136   3.773  12.595   2.783
 1080   1HG   ARG 136          1HG       ARG 136   3.104  14.846   1.757
 1081   2HG   ARG 136          2HG       ARG 136   1.757  14.882   2.906
 1082   1HD   ARG 136          1HD       ARG 136   3.343  14.788   4.785
 1083   2HD   ARG 136          2HD       ARG 136   4.706  14.615   3.673
 1084    HE   ARG 136           HE       ARG 136   3.272  17.039   4.382
 1085   1HH1  ARG 136          1HH2      ARG 136   5.351  15.578   1.860
 1086   2HH1  ARG 136          2HH2      ARG 136   5.943  17.105   1.307
 1087   1HH2  ARG 136          1HH1      ARG 136   4.045  19.042   3.592
 1088   2HH2  ARG 136          2HH1      ARG 136   5.167  19.105   2.289
 1089    H    GLN 137           H        GLN 137   4.206  11.448   0.598
 1090    HA   GLN 137           HA       GLN 137   4.695  13.522  -1.276
 1091   1HB   GLN 137          1HB       GLN 137   5.883  10.800  -0.708
 1092   2HB   GLN 137          2HB       GLN 137   6.330  11.686  -2.162
 1093   1HG   GLN 137          1HG       GLN 137   7.914  12.056  -0.350
 1094   2HG   GLN 137          2HG       GLN 137   7.192  13.538  -0.961
 1095   1HE2  GLN 137          2HE2      GLN 137   8.159  11.994   1.851
 1096   2HE2  GLN 137          1HE2      GLN 137   7.223  12.942   2.981
 1097    H    TRP 138           H        TRP 138   3.218  10.233  -1.724
 1098    HA   TRP 138           HA       TRP 138   2.714  10.498  -4.489
 1099   1HB   TRP 138          1HB       TRP 138   1.371   8.974  -2.254
 1100   2HB   TRP 138          2HB       TRP 138   0.537   9.139  -3.791
 1101    HD1  TRP 138           HD1      TRP 138   3.461   7.322  -2.226
 1102    HE1  TRP 138           HE1      TRP 138   4.573   5.787  -3.877
 1103    HE3  TRP 138           HE3      TRP 138   0.825   8.662  -6.409
 1104    HZ2  TRP 138           HZ2      TRP 138   4.262   5.064  -6.695
 1105    HZ3  TRP 138           HZ3      TRP 138   1.243   7.509  -8.564
 1106    HH2  TRP 138           HH2      TRP 138   2.958   5.722  -8.720
 1107    H    ALA 139           H        ALA 139   0.682  11.631  -1.692
 1108    HA   ALA 139           HA       ALA 139  -1.352  12.693  -3.325
 1109   1HB   ALA 139          1HB       ALA 139  -0.440  13.646  -0.573
 1110   2HB   ALA 139          2HB       ALA 139  -2.006  13.972  -1.339
 1111   3HB   ALA 139          3HB       ALA 139  -1.563  12.305  -0.898
 1112    H    GLN 140           H        GLN 140   1.648  14.287  -2.105
 1113    HA   GLN 140           HA       GLN 140   1.089  16.848  -3.234
 1114   1HB   GLN 140          1HB       GLN 140   3.706  15.416  -2.601
 1115   2HB   GLN 140          2HB       GLN 140   3.651  17.054  -3.241
 1116   1HG   GLN 140          1HG       GLN 140   2.375  16.165  -0.625
 1117   2HG   GLN 140          2HG       GLN 140   3.908  17.022  -0.799
 1118   1HE2  GLN 140          2HE2      GLN 140   3.752  19.210  -2.051
 1119   2HE2  GLN 140          1HE2      GLN 140   2.351  20.187  -1.705
 1120    H    ALA 141           H        ALA 141   2.685  13.934  -4.665
 1121    HA   ALA 141           HA       ALA 141   3.412  15.298  -7.073
 1122   1HB   ALA 141          1HB       ALA 141   3.879  13.051  -7.909
 1123   2HB   ALA 141          2HB       ALA 141   4.491  13.218  -6.255
 1124   3HB   ALA 141          3HB       ALA 141   2.985  12.320  -6.559
 1125    H    LEU 142           H        LEU 142   0.565  13.304  -6.172
 1126    HA   LEU 142           HA       LEU 142  -0.734  13.449  -8.726
 1127   1HB   LEU 142          1HB       LEU 142  -1.843  13.134  -5.908
 1128   2HB   LEU 142          2HB       LEU 142  -2.823  12.990  -7.364
 1129    HG   LEU 142           HG       LEU 142  -0.434  11.200  -6.733
 1130   1HD1  LEU 142          1HD1      LEU 142  -3.413  10.642  -6.457
 1131   2HD1  LEU 142          2HD1      LEU 142  -2.097   9.475  -6.195
 1132   3HD1  LEU 142          3HD1      LEU 142  -2.266  10.873  -5.123
 1133   1HD2  LEU 142          1HD2      LEU 142  -2.545  10.973  -8.907
 1134   2HD2  LEU 142          2HD2      LEU 142  -0.814  11.300  -9.138
 1135   3HD2  LEU 142          3HD2      LEU 142  -1.329   9.742  -8.497
 1136    H    ASN 143           H        ASN 143  -0.920  15.601  -5.834
 1137    HA   ASN 143           HA       ASN 143  -2.786  17.463  -6.929
 1138   1HB   ASN 143          1HB       ASN 143  -0.657  17.633  -4.780
 1139   2HB   ASN 143          2HB       ASN 143  -1.352  19.115  -5.403
 1140   1HD2  ASN 143          2HD2      ASN 143  -2.193  16.066  -3.740
 1141   2HD2  ASN 143          1HD2      ASN 143  -3.683  16.679  -3.057
 1142    H    ALA 144           H        ALA 144   0.783  17.277  -7.180
 1143    HA   ALA 144           HA       ALA 144   0.917  19.643  -8.803
 1144   1HB   ALA 144          1HB       ALA 144   3.052  17.537  -8.176
 1145   2HB   ALA 144          2HB       ALA 144   3.361  19.175  -8.792
 1146   3HB   ALA 144          3HB       ALA 144   2.706  18.951  -7.157
 1147    H    GLU 145           H        GLU 145  -0.412  17.137  -9.636
 1148    HA   GLU 145           HA       GLU 145  -0.749  15.749 -11.439
 1149   1HB   GLU 145          1HB       GLU 145  -1.904  18.053 -11.537
 1150   2HB   GLU 145          2HB       GLU 145  -0.804  18.426 -12.863
 1151   1HG   GLU 145          1HG       GLU 145  -1.707  16.413 -14.096
 1152   2HG   GLU 145          2HG       GLU 145  -2.753  16.070 -12.724
 1153    H    GLN 146           H        GLN 146   1.990  15.549 -11.067
 1154    HA   GLN 146           HA       GLN 146   3.272  15.755 -13.648
 1155   1HB   GLN 146          1HB       GLN 146   4.939  14.123 -12.691
 1156   2HB   GLN 146          2HB       GLN 146   4.787  15.673 -11.887
 1157   1HG   GLN 146          1HG       GLN 146   5.101  13.874 -10.281
 1158   2HG   GLN 146          2HG       GLN 146   3.581  14.701 -10.036
 1159   1HE2  GLN 146          2HE2      GLN 146   1.804  13.361  -9.743
 1160   2HE2  GLN 146          1HE2      GLN 146   1.720  11.685 -10.258
 1161    H    VAL 147           H        VAL 147   3.874  13.962 -14.974
 1162    HA   VAL 147           HA       VAL 147   2.011  11.710 -15.181
 1163    HB   VAL 147           HB       VAL 147   1.591  12.472 -17.603
 1164   1HG1  VAL 147          1HG1      VAL 147  -0.153  12.455 -15.821
 1165   2HG1  VAL 147          2HG1      VAL 147   0.254  14.141 -15.432
 1166   3HG1  VAL 147          3HG1      VAL 147  -0.399  13.727 -17.027
 1167   1HG2  VAL 147          1HG2      VAL 147   1.567  14.876 -18.074
 1168   2HG2  VAL 147          2HG2      VAL 147   2.249  15.247 -16.477
 1169   3HG2  VAL 147          3HG2      VAL 147   3.214  14.370 -17.687
  Start of MODEL   12
    1    H    MET   1           H        MET   1  -4.012  12.501 -14.301
    2    HA   MET   1           HA       MET   1  -3.817  11.410 -12.246
    3   1HB   MET   1          1HB       MET   1  -5.620  13.099 -12.484
    4   2HB   MET   1          2HB       MET   1  -6.758  11.829 -12.943
    5   1HG   MET   1          1HG       MET   1  -7.020  12.442 -10.610
    6   2HG   MET   1          2HG       MET   1  -6.500  10.768 -10.747
    7   1HE   MET   1          1HE       MET   1  -6.585  12.470  -8.125
    8   2HE   MET   1          2HE       MET   1  -5.999  10.789  -8.121
    9   3HE   MET   1          3HE       MET   1  -5.047  12.066  -7.336
   10    H    PHE   2           H        PHE   2  -3.233   9.301 -11.806
   11    HA   PHE   2           HA       PHE   2  -4.977   7.063 -12.606
   12   1HB   PHE   2          1HB       PHE   2  -3.266   5.730 -11.260
   13   2HB   PHE   2          2HB       PHE   2  -2.831   6.390 -12.815
   14    HD1  PHE   2           HD1      PHE   2  -2.221   6.729  -9.158
   15    HD2  PHE   2           HD2      PHE   2  -1.072   7.973 -13.125
   16    HE1  PHE   2           HE1      PHE   2  -0.154   7.738  -8.244
   17    HE2  PHE   2           HE2      PHE   2   1.011   8.952 -12.211
   18    HZ   PHE   2           HZ       PHE   2   1.475   8.847  -9.767
   19    H    ASN   3           H        ASN   3  -6.840   8.072 -11.521
   20    HA   ASN   3           HA       ASN   3  -6.776   8.537  -8.703
   21   1HB   ASN   3          1HB       ASN   3  -8.384   9.539 -10.476
   22   2HB   ASN   3          2HB       ASN   3  -9.308   8.049 -10.309
   23   1HD2  ASN   3          2HD2      ASN   3 -10.955   8.196  -8.717
   24   2HD2  ASN   3          1HD2      ASN   3 -10.903   9.293  -7.348
   25    H    ASN   4           H        ASN   4  -6.687   5.568 -10.221
   26    HA   ASN   4           HA       ASN   4  -8.332   4.153  -8.149
   27   1HB   ASN   4          1HB       ASN   4  -9.357   4.305 -10.439
   28   2HB   ASN   4          2HB       ASN   4  -7.907   3.547 -11.112
   29   1HD2  ASN   4          2HD2      ASN   4  -9.391   1.930 -11.983
   30   2HD2  ASN   4          1HD2      ASN   4  -9.764   0.563 -10.968
   31    H    ILE   5           H        ILE   5  -6.817   3.257  -6.782
   32    HA   ILE   5           HA       ILE   5  -4.333   2.086  -7.974
   33    HB   ILE   5           HB       ILE   5  -4.739   3.784  -5.496
   34   1HG1  ILE   5          1HG1      ILE   5  -3.110   4.459  -7.984
   35   2HG1  ILE   5          2HG1      ILE   5  -4.750   5.030  -7.700
   36   1HG2  ILE   5          1HG2      ILE   5  -2.104   2.625  -6.482
   37   2HG2  ILE   5          2HG2      ILE   5  -2.288   3.777  -5.139
   38   3HG2  ILE   5          3HG2      ILE   5  -2.952   2.178  -4.984
   39   1HD1  ILE   5          1HD1      ILE   5  -4.005   6.108  -5.586
   40   2HD1  ILE   5          2HD1      ILE   5  -2.319   5.781  -6.084
   41   3HD1  ILE   5          3HD1      ILE   5  -3.363   6.801  -7.084
   42    H    LEU   6           H        LEU   6  -3.354   0.356  -6.841
   43    HA   LEU   6           HA       LEU   6  -4.978  -0.939  -4.667
   44   1HB   LEU   6          1HB       LEU   6  -5.186  -2.127  -6.847
   45   2HB   LEU   6          2HB       LEU   6  -3.437  -2.247  -6.947
   46    HG   LEU   6           HG       LEU   6  -3.439  -3.702  -4.918
   47   1HD1  LEU   6          1HD1      LEU   6  -5.455  -2.993  -3.780
   48   2HD1  LEU   6          2HD1      LEU   6  -6.468  -3.454  -5.160
   49   3HD1  LEU   6          3HD1      LEU   6  -5.636  -4.691  -4.198
   50   1HD2  LEU   6          1HD2      LEU   6  -5.242  -4.605  -7.203
   51   2HD2  LEU   6          2HD2      LEU   6  -3.471  -4.716  -7.140
   52   3HD2  LEU   6          3HD2      LEU   6  -4.458  -5.674  -6.026
   53    H    VAL   7           H        VAL   7  -3.701  -1.620  -2.899
   54    HA   VAL   7           HA       VAL   7  -0.738  -1.356  -3.194
   55    HB   VAL   7           HB       VAL   7  -2.345  -1.146  -0.619
   56   1HG1  VAL   7          1HG1      VAL   7  -0.001  -1.860  -0.307
   57   2HG1  VAL   7          2HG1      VAL   7   0.565  -0.511  -1.315
   58   3HG1  VAL   7          3HG1      VAL   7  -0.203  -0.202   0.251
   59   1HG2  VAL   7          1HG2      VAL   7  -1.862   1.286  -0.676
   60   2HG2  VAL   7          2HG2      VAL   7  -1.192   1.118  -2.314
   61   3HG2  VAL   7          3HG2      VAL   7  -2.912   0.803  -2.005
   62    H    VAL   8           H        VAL   8   0.497  -3.129  -2.698
   63    HA   VAL   8           HA       VAL   8  -0.968  -5.587  -1.886
   64    HB   VAL   8           HB       VAL   8   1.168  -5.399  -4.032
   65   1HG1  VAL   8          1HG1      VAL   8  -0.837  -7.600  -3.346
   66   2HG1  VAL   8          2HG1      VAL   8   0.366  -7.656  -4.640
   67   3HG1  VAL   8          3HG1      VAL   8   0.907  -7.640  -2.963
   68   1HG2  VAL   8          1HG2      VAL   8  -1.870  -5.452  -4.319
   69   2HG2  VAL   8          2HG2      VAL   8  -0.760  -4.187  -4.897
   70   3HG2  VAL   8          3HG2      VAL   8  -0.739  -5.777  -5.644
   71    H    CYS   9           H        CYS   9   0.001  -6.884  -0.391
   72    HA   CYS   9           HA       CYS   9   2.854  -6.429   0.357
   73   1HB   CYS   9          1HB       CYS   9   1.355  -4.905   1.659
   74   2HB   CYS   9          2HB       CYS   9   0.457  -6.298   2.253
   75    HG   CYS   9           HG       CYS   9   2.167  -7.270   3.806
   76    H    VAL  10           H        VAL  10   3.266  -8.155   2.337
   77    HA   VAL  10           HA       VAL  10   2.010 -10.760   1.514
   78    HB   VAL  10           HB       VAL  10   3.930 -11.790   2.769
   79   1HG1  VAL  10          1HG1      VAL  10   4.550 -10.201   0.244
   80   2HG1  VAL  10          2HG1      VAL  10   5.516 -11.562   0.863
   81   3HG1  VAL  10          3HG1      VAL  10   3.846 -11.825   0.344
   82   1HG2  VAL  10          1HG2      VAL  10   5.261  -9.052   2.504
   83   2HG2  VAL  10          2HG2      VAL  10   4.735  -9.797   4.028
   84   3HG2  VAL  10          3HG2      VAL  10   6.012 -10.553   3.068
   85    H    GLY  11           H        GLY  11   1.002 -11.931   3.269
   86   1HA   GLY  11          1HA       GLY  11  -0.141 -12.086   5.279
   87   2HA   GLY  11          2HA       GLY  11   0.755 -10.695   5.907
   88    H    ASN  12           H        ASN  12   0.125  -8.823   3.830
   89    HA   ASN  12           HA       ASN  12  -1.384  -7.475   2.867
   90   1HB   ASN  12          1HB       ASN  12  -2.501  -9.527   2.076
   91   2HB   ASN  12          2HB       ASN  12  -3.541  -9.504   3.501
   92   1HD2  ASN  12          1HD2      ASN  12  -3.438  -6.230   2.873
   93   2HD2  ASN  12          2HD2      ASN  12  -4.656  -6.192   1.609
   94    H    ILE  13           H        ILE  13  -2.621  -8.826   5.928
   95    HA   ILE  13           HA       ILE  13  -4.417  -6.785   6.500
   96    HB   ILE  13           HB       ILE  13  -4.488  -7.796   8.746
   97   1HG1  ILE  13          1HG1      ILE  13  -2.132  -9.534   7.871
   98   2HG1  ILE  13          2HG1      ILE  13  -2.028  -8.191   9.004
   99   1HG2  ILE  13          1HG2      ILE  13  -5.251  -9.981   8.047
  100   2HG2  ILE  13          2HG2      ILE  13  -5.669  -8.806   6.811
  101   3HG2  ILE  13          3HG2      ILE  13  -4.298  -9.916   6.555
  102   1HD1  ILE  13          1HD1      ILE  13  -2.142 -10.195  10.291
  103   2HD1  ILE  13          2HD1      ILE  13  -3.701  -9.367  10.482
  104   3HD1  ILE  13          3HD1      ILE  13  -3.555 -10.775   9.401
  105    H    CYS  14           H        CYS  14  -1.259  -5.961   6.319
  106    HA   CYS  14           HA       CYS  14  -1.371  -4.154   8.706
  107   1HB   CYS  14          1HB       CYS  14   1.119  -5.516   7.582
  108   2HB   CYS  14          2HB       CYS  14   1.056  -4.356   8.916
  109    HG   CYS  14           HG       CYS  14  -0.360  -7.324   8.652
  110    H    ARG  15           H        ARG  15   0.923  -4.328   5.886
  111    HA   ARG  15           HA       ARG  15   1.010  -1.453   5.983
  112   1HB   ARG  15          1HB       ARG  15   2.243  -3.377   3.974
  113   2HB   ARG  15          2HB       ARG  15   2.563  -1.644   4.048
  114   1HG   ARG  15          1HG       ARG  15   3.399  -1.843   6.354
  115   2HG   ARG  15          2HG       ARG  15   3.125  -3.585   6.340
  116   1HD   ARG  15          1HD       ARG  15   5.062  -2.089   4.520
  117   2HD   ARG  15          2HD       ARG  15   5.490  -2.981   5.984
  118    HE   ARG  15           HE       ARG  15   4.035  -4.702   4.242
  119   1HH1  ARG  15          1HH2      ARG  15   7.361  -3.419   4.683
  120   2HH1  ARG  15          2HH2      ARG  15   7.999  -4.509   3.467
  121   1HH2  ARG  15          1HH1      ARG  15   5.057  -6.128   2.683
  122   2HH2  ARG  15          2HH1      ARG  15   6.790  -6.008   2.489
  123    H    SER  16           H        SER  16  -0.521  -3.719   3.592
  124    HA   SER  16           HA       SER  16  -1.240  -1.769   1.774
  125   1HB   SER  16          1HB       SER  16  -3.023  -4.119   2.411
  126   2HB   SER  16          2HB       SER  16  -2.819  -3.262   0.876
  127    HG   SER  16           HG       SER  16  -1.652  -5.167   0.823
  128    HA   PRO  17           HA       PRO  17  -5.361  -0.755   3.902
  129   1HB   PRO  17          1HB       PRO  17  -5.738  -1.272   6.601
  130   2HB   PRO  17          2HB       PRO  17  -6.305  -2.297   5.257
  131   1HG   PRO  17          1HG       PRO  17  -3.799  -2.606   6.919
  132   2HG   PRO  17          2HG       PRO  17  -4.962  -3.873   6.425
  133   1HD   PRO  17          1HD       PRO  17  -2.643  -3.517   5.083
  134   2HD   PRO  17          2HD       PRO  17  -4.156  -3.894   4.213
  135    H    THR  18           H        THR  18  -2.344  -0.599   5.853
  136    HA   THR  18           HA       THR  18  -3.031   1.869   7.172
  137    HB   THR  18           HB       THR  18  -0.310   0.640   6.561
  138    HG1  THR  18           1HG      THR  18  -1.352  -0.786   7.808
  139   1HG2  THR  18          1HG2      THR  18   0.417   1.942   8.566
  140   2HG2  THR  18          2HG2      THR  18  -0.090   3.002   7.244
  141   3HG2  THR  18          3HG2      THR  18  -1.186   2.722   8.609
  142    H    ALA  19           H        ALA  19  -1.137   1.106   4.172
  143    HA   ALA  19           HA       ALA  19  -0.641   3.844   3.489
  144   1HB   ALA  19          1HB       ALA  19   0.675   2.035   2.512
  145   2HB   ALA  19          2HB       ALA  19  -0.786   1.318   1.791
  146   3HB   ALA  19          3HB       ALA  19  -0.194   2.886   1.209
  147    H    GLU  20           H        GLU  20  -3.213   1.517   2.546
  148    HA   GLU  20           HA       GLU  20  -4.618   3.043   0.685
  149   1HB   GLU  20          1HB       GLU  20  -5.079   0.683   1.242
  150   2HB   GLU  20          2HB       GLU  20  -5.615   1.156   2.856
  151   1HG   GLU  20          1HG       GLU  20  -7.458   2.522   1.689
  152   2HG   GLU  20          2HG       GLU  20  -6.986   1.652   0.227
  153    H    ARG  21           H        ARG  21  -5.204   2.937   4.265
  154    HA   ARG  21           HA       ARG  21  -7.234   4.955   4.000
  155   1HB   ARG  21          1HB       ARG  21  -5.815   3.889   6.478
  156   2HB   ARG  21          2HB       ARG  21  -7.286   4.870   6.469
  157   1HG   ARG  21          1HG       ARG  21  -7.103   2.146   5.128
  158   2HG   ARG  21          2HG       ARG  21  -7.674   2.403   6.766
  159   1HD   ARG  21          1HD       ARG  21  -9.550   3.725   5.983
  160   2HD   ARG  21          2HD       ARG  21  -8.938   3.716   4.324
  161    HE   ARG  21           HE       ARG  21  -9.459   1.468   4.031
  162   1HH1  ARG  21          1HH2      ARG  21 -10.225   2.369   7.427
  163   2HH1  ARG  21          2HH2      ARG  21 -11.327   1.017   7.606
  164   1HH2  ARG  21          1HH1      ARG  21 -10.861  -0.296   4.414
  165   2HH2  ARG  21          2HH1      ARG  21 -11.612  -0.493   5.982
  166    H    LEU  22           H        LEU  22  -3.766   5.165   4.795
  167    HA   LEU  22           HA       LEU  22  -3.749   7.932   5.533
  168   1HB   LEU  22          1HB       LEU  22  -1.755   6.032   4.276
  169   2HB   LEU  22          2HB       LEU  22  -1.386   7.745   4.340
  170    HG   LEU  22           HG       LEU  22  -2.183   6.244   6.861
  171   1HD1  LEU  22          1HD1      LEU  22   0.278   6.045   7.308
  172   2HD1  LEU  22          2HD1      LEU  22  -0.278   5.053   5.950
  173   3HD1  LEU  22          3HD1      LEU  22   0.583   6.563   5.629
  174   1HD2  LEU  22          1HD2      LEU  22  -0.881   8.091   7.925
  175   2HD2  LEU  22          2HD2      LEU  22  -0.607   8.814   6.330
  176   3HD2  LEU  22          3HD2      LEU  22  -2.248   8.709   6.997
  177    H    LEU  23           H        LEU  23  -3.512   6.332   2.300
  178    HA   LEU  23           HA       LEU  23  -3.320   8.795   0.851
  179   1HB   LEU  23          1HB       LEU  23  -4.221   6.003   0.075
  180   2HB   LEU  23          2HB       LEU  23  -4.107   7.325  -1.080
  181    HG   LEU  23           HG       LEU  23  -1.709   6.522   0.592
  182   1HD1  LEU  23          1HD1      LEU  23  -2.545   5.383  -2.111
  183   2HD1  LEU  23          2HD1      LEU  23  -0.992   5.104  -1.309
  184   3HD1  LEU  23          3HD1      LEU  23  -2.455   4.505  -0.557
  185   1HD2  LEU  23          1HD2      LEU  23  -1.548   8.702  -0.552
  186   2HD2  LEU  23          2HD2      LEU  23  -0.451   7.528  -1.283
  187   3HD2  LEU  23          3HD2      LEU  23  -1.973   7.937  -2.097
  188    H    GLN  24           H        GLN  24  -6.181   6.830   1.869
  189    HA   GLN  24           HA       GLN  24  -8.091   8.456   0.502
  190   1HB   GLN  24          1HB       GLN  24  -8.389   6.813   3.058
  191   2HB   GLN  24          2HB       GLN  24  -9.714   7.586   2.202
  192   1HG   GLN  24          1HG       GLN  24  -7.990   5.309   1.162
  193   2HG   GLN  24          2HG       GLN  24  -9.678   5.245   1.631
  194   1HE2  GLN  24          2HE2      GLN  24 -11.203   6.727   0.281
  195   2HE2  GLN  24          1HE2      GLN  24 -10.769   6.958  -1.419
  196    H    ARG  25           H        ARG  25  -6.611   8.800   3.803
  197    HA   ARG  25           HA       ARG  25  -8.147  11.075   4.508
  198   1HB   ARG  25          1HB       ARG  25  -6.957   9.979   6.228
  199   2HB   ARG  25          2HB       ARG  25  -5.408  10.102   5.391
  200   1HG   ARG  25          1HG       ARG  25  -5.205  12.428   5.796
  201   2HG   ARG  25          2HG       ARG  25  -6.900  12.603   6.267
  202   1HD   ARG  25          1HD       ARG  25  -4.945  10.895   7.851
  203   2HD   ARG  25          2HD       ARG  25  -5.141  12.636   8.132
  204    HE   ARG  25           HE       ARG  25  -7.717  11.657   8.167
  205   1HH1  ARG  25          1HH2      ARG  25  -4.801  11.070  10.106
  206   2HH1  ARG  25          2HH2      ARG  25  -5.660  10.616  11.537
  207   1HH2  ARG  25          1HH1      ARG  25  -8.869  11.076  10.031
  208   2HH2  ARG  25          2HH1      ARG  25  -8.056  10.482  11.431
  209    H    TYR  26           H        TYR  26  -4.982  10.863   2.747
  210    HA   TYR  26           HA       TYR  26  -4.751  13.688   2.485
  211   1HB   TYR  26          1HB       TYR  26  -3.517  11.383   0.947
  212   2HB   TYR  26          2HB       TYR  26  -3.211  13.063   0.536
  213    HD1  TYR  26           HD1      TYR  26  -1.942  10.392   2.464
  214    HD2  TYR  26           HD2      TYR  26  -2.567  14.659   2.579
  215    HE1  TYR  26           HE1      TYR  26  -0.256  10.593   4.276
  216    HE2  TYR  26           HE2      TYR  26  -0.897  14.866   4.384
  217    HH   TYR  26           HH       TYR  26   0.506  13.734   5.838
  218    H    HIS  27           H        HIS  27  -6.454  11.307   0.414
  219    HA   HIS  27           HA       HIS  27  -7.681  13.582  -1.070
  220   1HB   HIS  27          1HB       HIS  27  -6.321  11.150  -2.271
  221   2HB   HIS  27          2HB       HIS  27  -7.403  12.232  -3.156
  222    HD1  HIS  27           HD1      HIS  27  -6.453  14.880  -3.377
  223    HD2  HIS  27           HD2      HIS  27  -3.793  11.804  -2.275
  224    HE1  HIS  27           HE1      HIS  27  -4.105  15.762  -3.816
  225    HA   PRO  28           HA       PRO  28 -10.939  10.691   0.460
  226   1HB   PRO  28          1HB       PRO  28 -12.506  13.195  -0.184
  227   2HB   PRO  28          2HB       PRO  28 -12.722  12.050   1.178
  228   1HG   PRO  28          1HG       PRO  28 -11.443  14.403   1.578
  229   2HG   PRO  28          2HG       PRO  28 -10.778  12.895   2.289
  230   1HD   PRO  28          1HD       PRO  28  -9.895  14.335  -0.222
  231   2HD   PRO  28          2HD       PRO  28  -8.902  13.608   1.079
  232    H    GLU  29           H        GLU  29 -10.726  12.608  -2.533
  233    HA   GLU  29           HA       GLU  29 -12.933  11.226  -3.852
  234   1HB   GLU  29          1HB       GLU  29 -12.266  13.621  -4.194
  235   2HB   GLU  29          2HB       GLU  29 -10.781  13.072  -4.978
  236   1HG   GLU  29          1HG       GLU  29 -12.073  12.055  -6.794
  237   2HG   GLU  29          2HG       GLU  29 -13.587  12.349  -5.932
  238    H    LEU  30           H        LEU  30  -9.690  10.383  -3.182
  239    HA   LEU  30           HA       LEU  30  -9.026   9.024  -5.668
  240   1HB   LEU  30          1HB       LEU  30  -7.435  10.066  -3.978
  241   2HB   LEU  30          2HB       LEU  30  -7.864   8.758  -2.870
  242    HG   LEU  30           HG       LEU  30  -6.897   7.130  -4.528
  243   1HD1  LEU  30          1HD1      LEU  30  -5.413   8.009  -6.294
  244   2HD1  LEU  30          2HD1      LEU  30  -7.078   8.533  -6.556
  245   3HD1  LEU  30          3HD1      LEU  30  -5.896   9.673  -5.893
  246   1HD2  LEU  30          1HD2      LEU  30  -5.657   8.016  -2.568
  247   2HD2  LEU  30          2HD2      LEU  30  -4.566   7.700  -3.929
  248   3HD2  LEU  30          3HD2      LEU  30  -5.058   9.363  -3.542
  249    H    LYS  31           H        LYS  31  -8.926   6.720  -5.930
  250    HA   LYS  31           HA       LYS  31 -10.412   5.114  -3.879
  251   1HB   LYS  31          1HB       LYS  31 -11.628   4.956  -5.937
  252   2HB   LYS  31          2HB       LYS  31 -10.148   4.730  -6.885
  253   1HG   LYS  31          1HG       LYS  31  -9.745   2.555  -5.957
  254   2HG   LYS  31          2HG       LYS  31 -10.982   2.751  -4.720
  255   1HD   LYS  31          1HD       LYS  31 -11.630   2.749  -7.695
  256   2HD   LYS  31          2HD       LYS  31 -11.458   1.254  -6.788
  257   1HE   LYS  31          1HE       LYS  31 -13.484   3.450  -6.171
  258   2HE   LYS  31          2HE       LYS  31 -13.808   1.948  -7.038
  259   1HZ   LYS  31          1HZ       LYS  31 -13.079   2.205  -4.194
  260   2HZ   LYS  31          2HZ       LYS  31 -14.446   1.585  -4.825
  261   3HZ   LYS  31          3HZ       LYS  31 -13.029   0.764  -4.970
  262    H    VAL  32           H        VAL  32  -9.037   4.025  -2.671
  263    HA   VAL  32           HA       VAL  32  -6.780   2.671  -3.984
  264    HB   VAL  32           HB       VAL  32  -6.554   3.833  -1.180
  265   1HG1  VAL  32          1HG1      VAL  32  -5.176   1.837  -1.598
  266   2HG1  VAL  32          2HG1      VAL  32  -4.552   2.548  -3.101
  267   3HG1  VAL  32          3HG1      VAL  32  -4.139   3.264  -1.534
  268   1HG2  VAL  32          1HG2      VAL  32  -6.549   5.738  -2.686
  269   2HG2  VAL  32          2HG2      VAL  32  -4.901   5.425  -2.164
  270   3HG2  VAL  32          3HG2      VAL  32  -5.415   4.941  -3.785
  271    H    GLU  33           H        GLU  33  -6.713   0.527  -3.401
  272    HA   GLU  33           HA       GLU  33  -8.260  -0.360  -1.031
  273   1HB   GLU  33          1HB       GLU  33  -8.536  -1.592  -3.801
  274   2HB   GLU  33          2HB       GLU  33  -9.169  -2.247  -2.281
  275   1HG   GLU  33          1HG       GLU  33 -10.562  -0.226  -1.973
  276   2HG   GLU  33          2HG       GLU  33 -10.019   0.374  -3.547
  277    H    SER  34           H        SER  34  -7.713  -2.926  -0.894
  278    HA   SER  34           HA       SER  34  -4.731  -3.080  -1.018
  279   1HB   SER  34          1HB       SER  34  -6.706  -3.846   1.165
  280   2HB   SER  34          2HB       SER  34  -4.976  -4.205   1.197
  281    HG   SER  34           HG       SER  34  -6.291  -1.697   1.302
  282    H    ALA  35           H        ALA  35  -3.777  -5.108  -1.198
  283    HA   ALA  35           HA       ALA  35  -5.322  -7.578  -1.076
  284   1HB   ALA  35          1HB       ALA  35  -3.899  -6.770  -3.665
  285   2HB   ALA  35          2HB       ALA  35  -4.619  -8.361  -3.327
  286   3HB   ALA  35          3HB       ALA  35  -5.658  -6.943  -3.453
  287    H    GLY  36           H        GLY  36  -3.488  -9.437  -1.685
  288   1HA   GLY  36          1HA       GLY  36  -0.773  -8.447  -1.188
  289   2HA   GLY  36          2HA       GLY  36  -1.428  -9.540   0.026
  290    H    LEU  37           H        LEU  37   0.929  -9.927  -1.487
  291    HA   LEU  37           HA       LEU  37   0.508 -11.830  -3.657
  292   1HB   LEU  37          1HB       LEU  37   2.839 -10.954  -1.925
  293   2HB   LEU  37          2HB       LEU  37   3.003 -12.357  -2.971
  294    HG   LEU  37           HG       LEU  37   2.009  -9.728  -4.113
  295   1HD1  LEU  37          1HD1      LEU  37   4.918 -10.570  -3.782
  296   2HD1  LEU  37          2HD1      LEU  37   4.325  -9.182  -4.734
  297   3HD1  LEU  37          3HD1      LEU  37   4.116  -9.205  -2.976
  298   1HD2  LEU  37          1HD2      LEU  37   1.816 -11.803  -5.508
  299   2HD2  LEU  37          2HD2      LEU  37   2.953 -10.637  -6.202
  300   3HD2  LEU  37          3HD2      LEU  37   3.548 -12.068  -5.327
  301    H    GLY  38           H        GLY  38   1.066 -12.006  -0.155
  302   1HA   GLY  38          1HA       GLY  38   0.218 -14.881  -0.172
  303   2HA   GLY  38          2HA       GLY  38   1.528 -14.270   0.862
  304    H    ALA  39           H        ALA  39  -1.752 -13.163  -0.124
  305    HA   ALA  39           HA       ALA  39  -2.232 -11.794   2.359
  306   1HB   ALA  39          1HB       ALA  39  -4.194 -12.685   0.206
  307   2HB   ALA  39          2HB       ALA  39  -4.464 -11.405   1.402
  308   3HB   ALA  39          3HB       ALA  39  -3.251 -11.175   0.139
  309    H    LEU  40           H        LEU  40  -4.198 -12.185   3.652
  310    HA   LEU  40           HA       LEU  40  -4.647 -15.089   4.248
  311   1HB   LEU  40          1HB       LEU  40  -4.638 -12.628   6.052
  312   2HB   LEU  40          2HB       LEU  40  -5.035 -14.265   6.576
  313    HG   LEU  40           HG       LEU  40  -2.326 -13.428   5.433
  314   1HD1  LEU  40          1HD1      LEU  40  -1.494 -13.494   7.711
  315   2HD1  LEU  40          2HD1      LEU  40  -2.785 -12.298   7.563
  316   3HD1  LEU  40          3HD1      LEU  40  -3.117 -13.871   8.334
  317   1HD2  LEU  40          1HD2      LEU  40  -1.530 -15.571   6.400
  318   2HD2  LEU  40          2HD2      LEU  40  -3.201 -15.989   6.839
  319   3HD2  LEU  40          3HD2      LEU  40  -2.728 -15.829   5.132
  320    H    VAL  41           H        VAL  41  -6.223 -14.875   2.458
  321    HA   VAL  41           HA       VAL  41  -8.047 -12.911   2.133
  322    HB   VAL  41           HB       VAL  41  -7.616 -14.587   0.514
  323   1HG1  VAL  41          1HG1      VAL  41  -8.552 -16.838   0.535
  324   2HG1  VAL  41          2HG1      VAL  41  -7.462 -16.623   1.908
  325   3HG1  VAL  41          3HG1      VAL  41  -9.220 -16.583   2.157
  326   1HG2  VAL  41          1HG2      VAL  41 -10.583 -14.642   1.173
  327   2HG2  VAL  41          2HG2      VAL  41  -9.741 -13.310   0.356
  328   3HG2  VAL  41          3HG2      VAL  41  -9.828 -14.905  -0.410
  329    H    GLY  42           H        GLY  42  -9.790 -12.080   3.031
  330   1HA   GLY  42          1HA       GLY  42 -11.847 -12.060   4.101
  331   2HA   GLY  42          2HA       GLY  42 -11.582 -13.697   4.708
  332    H    LYS  43           H        LYS  43  -8.742 -12.594   5.699
  333    HA   LYS  43           HA       LYS  43  -9.681 -12.151   8.381
  334   1HB   LYS  43          1HB       LYS  43  -7.542 -13.294   7.650
  335   2HB   LYS  43          2HB       LYS  43  -6.877 -11.698   7.272
  336   1HG   LYS  43          1HG       LYS  43  -7.055 -11.031   9.621
  337   2HG   LYS  43          2HG       LYS  43  -7.944 -12.517  10.014
  338   1HD   LYS  43          1HD       LYS  43  -5.958 -13.880   9.441
  339   2HD   LYS  43          2HD       LYS  43  -5.096 -12.426   8.944
  340   1HE   LYS  43          1HE       LYS  43  -4.304 -12.998  11.127
  341   2HE   LYS  43          2HE       LYS  43  -5.279 -11.535  11.281
  342   1HZ   LYS  43          1HZ       LYS  43  -6.199 -14.281  11.936
  343   2HZ   LYS  43          2HZ       LYS  43  -5.766 -13.149  13.019
  344   3HZ   LYS  43          3HZ       LYS  43  -7.098 -12.925  12.114
  345    H    GLY  44           H        GLY  44  -9.541 -10.264   9.673
  346   1HA   GLY  44          1HA       GLY  44 -10.040  -7.762   8.273
  347   2HA   GLY  44          2HA       GLY  44 -10.061  -8.037  10.017
  348    H    ALA  45           H        ALA  45  -8.939  -5.767   9.593
  349    HA   ALA  45           HA       ALA  45  -6.137  -5.776   8.835
  350   1HB   ALA  45          1HB       ALA  45  -6.155  -3.516   9.953
  351   2HB   ALA  45          2HB       ALA  45  -7.361  -3.696   8.670
  352   3HB   ALA  45          3HB       ALA  45  -7.864  -3.782  10.364
  353    H    ASP  46           H        ASP  46  -4.328  -5.662  10.232
  354    HA   ASP  46           HA       ASP  46  -4.439  -7.453  12.456
  355   1HB   ASP  46          1HB       ASP  46  -2.463  -7.122  11.008
  356   2HB   ASP  46          2HB       ASP  46  -2.260  -5.487  11.640
  357    HA   PRO  47           HA       PRO  47  -5.831  -4.512  15.478
  358   1HB   PRO  47          1HB       PRO  47  -5.030  -5.673  17.858
  359   2HB   PRO  47          2HB       PRO  47  -6.432  -6.200  16.880
  360   1HG   PRO  47          1HG       PRO  47  -3.623  -7.340  16.880
  361   2HG   PRO  47          2HG       PRO  47  -5.181  -8.227  16.958
  362   1HD   PRO  47          1HD       PRO  47  -3.849  -7.949  14.624
  363   2HD   PRO  47          2HD       PRO  47  -5.630  -7.808  14.662
  364    H    THR  48           H        THR  48  -2.387  -5.318  15.273
  365    HA   THR  48           HA       THR  48  -1.568  -3.203  17.122
  366    HB   THR  48           HB       THR  48   0.296  -4.269  15.035
  367    HG1  THR  48           1HG      THR  48  -0.714  -6.087  15.420
  368   1HG2  THR  48          1HG2      THR  48   0.509  -3.910  18.058
  369   2HG2  THR  48          2HG2      THR  48   1.832  -4.418  16.983
  370   3HG2  THR  48          3HG2      THR  48   1.121  -2.805  16.807
  371    H    ALA  49           H        ALA  49  -1.935  -3.725  13.581
  372    HA   ALA  49           HA       ALA  49  -0.973  -1.152  12.777
  373   1HB   ALA  49          1HB       ALA  49  -1.239  -3.107  11.252
  374   2HB   ALA  49          2HB       ALA  49  -2.999  -2.985  11.411
  375   3HB   ALA  49          3HB       ALA  49  -2.080  -1.666  10.656
  376    H    ILE  50           H        ILE  50  -4.277  -2.391  13.569
  377    HA   ILE  50           HA       ILE  50  -5.673   0.053  13.201
  378    HB   ILE  50           HB       ILE  50  -6.144  -2.253  15.117
  379   1HG1  ILE  50          1HG1      ILE  50  -7.640  -1.535  12.559
  380   2HG1  ILE  50          2HG1      ILE  50  -6.292  -2.666  12.582
  381   1HG2  ILE  50          1HG2      ILE  50  -8.470  -1.413  15.405
  382   2HG2  ILE  50          2HG2      ILE  50  -7.304  -0.271  16.029
  383   3HG2  ILE  50          3HG2      ILE  50  -8.062   0.028  14.450
  384   1HD1  ILE  50          1HD1      ILE  50  -7.576  -4.115  14.182
  385   2HD1  ILE  50          2HD1      ILE  50  -8.971  -3.027  13.985
  386   3HD1  ILE  50          3HD1      ILE  50  -8.346  -3.921  12.602
  387    H    SER  51           H        SER  51  -4.005  -1.219  16.172
  388    HA   SER  51           HA       SER  51  -4.740   0.985  17.789
  389   1HB   SER  51          1HB       SER  51  -2.319  -0.850  18.036
  390   2HB   SER  51          2HB       SER  51  -2.996   0.176  19.316
  391    HG   SER  51           HG       SER  51  -4.175  -2.068  18.034
  392    H    VAL  52           H        VAL  52  -1.830   0.544  15.690
  393    HA   VAL  52           HA       VAL  52  -0.686   3.076  16.516
  394    HB   VAL  52           HB       VAL  52  -0.153   1.202  14.186
  395   1HG1  VAL  52          1HG1      VAL  52   1.913   2.445  13.787
  396   2HG1  VAL  52          2HG1      VAL  52   0.527   3.496  13.513
  397   3HG1  VAL  52          3HG1      VAL  52   1.463   3.658  15.013
  398   1HG2  VAL  52          1HG2      VAL  52   1.327   1.847  16.789
  399   2HG2  VAL  52          2HG2      VAL  52   0.477   0.334  16.417
  400   3HG2  VAL  52          3HG2      VAL  52   1.940   0.778  15.531
  401    H    ALA  53           H        ALA  53  -2.947   2.117  13.842
  402    HA   ALA  53           HA       ALA  53  -2.926   4.715  12.631
  403   1HB   ALA  53          1HB       ALA  53  -5.000   3.980  11.550
  404   2HB   ALA  53          2HB       ALA  53  -3.802   2.673  11.519
  405   3HB   ALA  53          3HB       ALA  53  -5.147   2.625  12.685
  406    H    ALA  54           H        ALA  54  -4.841   3.302  15.318
  407    HA   ALA  54           HA       ALA  54  -6.576   5.515  15.651
  408   1HB   ALA  54          1HB       ALA  54  -7.010   4.540  17.879
  409   2HB   ALA  54          2HB       ALA  54  -6.985   3.275  16.635
  410   3HB   ALA  54          3HB       ALA  54  -5.588   3.491  17.718
  411    H    GLU  55           H        GLU  55  -3.218   4.957  16.851
  412    HA   GLU  55           HA       GLU  55  -3.102   7.135  18.620
  413   1HB   GLU  55          1HB       GLU  55  -1.379   5.285  18.082
  414   2HB   GLU  55          2HB       GLU  55  -0.809   6.353  16.790
  415   1HG   GLU  55          1HG       GLU  55  -0.365   8.133  18.463
  416   2HG   GLU  55          2HG       GLU  55  -0.970   7.079  19.745
  417    H    HIS  56           H        HIS  56  -3.448   7.173  15.166
  418    HA   HIS  56           HA       HIS  56  -3.008  10.120  15.026
  419   1HB   HIS  56          1HB       HIS  56  -2.848   7.949  12.913
  420   2HB   HIS  56          2HB       HIS  56  -2.673   9.676  12.595
  421    HD1  HIS  56           HD1      HIS  56  -0.436  10.869  13.834
  422    HD2  HIS  56           HD2      HIS  56  -0.648   6.668  13.663
  423    HE1  HIS  56           HE1      HIS  56   1.904  10.012  14.346
  424    H    GLN  57           H        GLN  57  -5.443   8.243  15.759
  425    HA   GLN  57           HA       GLN  57  -7.645   7.971  15.256
  426   1HB   GLN  57          1HB       GLN  57  -7.378  10.970  14.700
  427   2HB   GLN  57          2HB       GLN  57  -8.886  10.138  15.064
  428   1HG   GLN  57          1HG       GLN  57  -6.536  10.308  17.006
  429   2HG   GLN  57          2HG       GLN  57  -7.896  11.418  16.974
  430   1HE2  GLN  57          2HE2      GLN  57  -6.934   8.053  17.697
  431   2HE2  GLN  57          1HE2      GLN  57  -8.396   7.653  18.569
  432    H    LEU  58           H        LEU  58  -6.223   6.993  13.242
  433    HA   LEU  58           HA       LEU  58  -8.084   7.554  10.975
  434   1HB   LEU  58          1HB       LEU  58  -5.255   7.566  10.812
  435   2HB   LEU  58          2HB       LEU  58  -5.718   5.951  10.273
  436    HG   LEU  58           HG       LEU  58  -6.697   8.590   9.126
  437   1HD1  LEU  58          1HD1      LEU  58  -4.929   6.426   7.922
  438   2HD1  LEU  58          2HD1      LEU  58  -5.446   7.940   7.142
  439   3HD1  LEU  58          3HD1      LEU  58  -4.372   7.998   8.543
  440   1HD2  LEU  58          1HD2      LEU  58  -7.698   7.128   7.314
  441   2HD2  LEU  58          2HD2      LEU  58  -7.489   5.753   8.429
  442   3HD2  LEU  58          3HD2      LEU  58  -8.551   7.121   8.849
  443    H    SER  59           H        SER  59  -8.865   5.487  10.009
  444    HA   SER  59           HA       SER  59  -8.924   3.384  12.112
  445   1HB   SER  59          1HB       SER  59 -11.192   4.338  10.321
  446   2HB   SER  59          2HB       SER  59 -11.293   3.133  11.617
  447    HG   SER  59           HG       SER  59 -11.985   5.219  12.292
  448    H    LEU  60           H        LEU  60  -8.558   1.306  11.373
  449    HA   LEU  60           HA       LEU  60  -8.329   0.887   8.400
  450   1HB   LEU  60          1HB       LEU  60  -7.089  -0.869  10.520
  451   2HB   LEU  60          2HB       LEU  60  -6.812  -0.886   8.791
  452    HG   LEU  60           HG       LEU  60  -5.862   1.183  10.794
  453   1HD1  LEU  60          1HD1      LEU  60  -4.338  -0.694   8.936
  454   2HD1  LEU  60          2HD1      LEU  60  -3.641   0.398  10.148
  455   3HD1  LEU  60          3HD1      LEU  60  -4.635  -0.976  10.663
  456   1HD2  LEU  60          1HD2      LEU  60  -5.570   1.243   7.763
  457   2HD2  LEU  60          2HD2      LEU  60  -6.401   2.442   8.779
  458   3HD2  LEU  60          3HD2      LEU  60  -4.652   2.264   8.895
  459    H    GLU  61           H        GLU  61 -10.738   0.762  10.359
  460    HA   GLU  61           HA       GLU  61 -11.402  -2.024  10.685
  461   1HB   GLU  61          1HB       GLU  61 -13.113   0.505  10.778
  462   2HB   GLU  61          2HB       GLU  61 -13.671  -1.115  11.223
  463   1HG   GLU  61          1HG       GLU  61 -11.880  -1.225  12.972
  464   2HG   GLU  61          2HG       GLU  61 -11.427   0.438  12.589
  465    H    GLY  62           H        GLY  62 -13.073  -3.184   9.556
  466   1HA   GLY  62          1HA       GLY  62 -14.402  -3.775   7.805
  467   2HA   GLY  62          2HA       GLY  62 -14.306  -2.116   7.186
  468    H    HIS  63           H        HIS  63 -11.117  -2.979   7.450
  469    HA   HIS  63           HA       HIS  63 -10.695  -3.593   4.666
  470   1HB   HIS  63          1HB       HIS  63  -8.902  -2.605   5.971
  471   2HB   HIS  63          2HB       HIS  63  -9.012  -3.890   7.178
  472    HD1  HIS  63           HD1      HIS  63  -8.004  -3.602   3.422
  473    HD2  HIS  63           HD2      HIS  63  -7.495  -5.992   6.849
  474    HE1  HIS  63           HE1      HIS  63  -6.381  -5.465   2.794
  475    H    CYS  64           H        CYS  64 -10.521  -5.583   3.671
  476    HA   CYS  64           HA       CYS  64 -10.407  -8.023   5.341
  477   1HB   CYS  64          1HB       CYS  64 -11.850  -9.163   3.609
  478   2HB   CYS  64          2HB       CYS  64 -12.695  -8.046   4.691
  479    HG   CYS  64           HG       CYS  64 -11.485  -7.303   1.710
  480    H    ALA  65           H        ALA  65  -8.586  -9.080   4.828
  481    HA   ALA  65           HA       ALA  65  -6.930  -8.298   2.621
  482   1HB   ALA  65          1HB       ALA  65  -5.691 -10.446   3.325
  483   2HB   ALA  65          2HB       ALA  65  -5.864  -9.168   4.546
  484   3HB   ALA  65          3HB       ALA  65  -6.915 -10.597   4.602
  485    H    ARG  66           H        ARG  66  -6.289  -9.585   0.785
  486    HA   ARG  66           HA       ARG  66  -7.829 -11.919  -0.039
  487   1HB   ARG  66          1HB       ARG  66  -8.829 -10.834  -2.055
  488   2HB   ARG  66          2HB       ARG  66  -9.537 -10.278  -0.543
  489   1HG   ARG  66          1HG       ARG  66  -8.049  -8.223  -0.667
  490   2HG   ARG  66          2HG       ARG  66  -7.528  -8.764  -2.276
  491   1HD   ARG  66          1HD       ARG  66  -9.846  -8.658  -3.079
  492   2HD   ARG  66          2HD       ARG  66 -10.409  -8.237  -1.443
  493    HE   ARG  66           HE       ARG  66  -8.404  -6.382  -2.187
  494   1HH1  ARG  66          1HH2      ARG  66 -11.821  -7.130  -2.921
  495   2HH1  ARG  66          2HH2      ARG  66 -12.193  -5.501  -3.363
  496   1HH2  ARG  66          2HH1      ARG  66  -8.887  -4.333  -2.904
  497   2HH2  ARG  66          1HH1      ARG  66 -10.525  -3.845  -3.261
  498    H    GLN  67           H        GLN  67  -6.768 -12.937  -1.843
  499    HA   GLN  67           HA       GLN  67  -4.015 -12.071  -2.088
  500   1HB   GLN  67          1HB       GLN  67  -4.810 -14.509  -1.924
  501   2HB   GLN  67          2HB       GLN  67  -5.274 -14.356  -3.632
  502   1HG   GLN  67          1HG       GLN  67  -2.912 -13.755  -4.192
  503   2HG   GLN  67          2HG       GLN  67  -2.499 -13.787  -2.481
  504   1HE2  GLN  67          2HE2      GLN  67  -0.800 -15.283  -3.057
  505   2HE2  GLN  67          1HE2      GLN  67  -1.176 -16.978  -3.311
  506    H    ILE  68           H        ILE  68  -2.950 -11.314  -3.802
  507    HA   ILE  68           HA       ILE  68  -4.333  -9.767  -5.753
  508    HB   ILE  68           HB       ILE  68  -2.000  -9.397  -4.902
  509   1HG1  ILE  68          1HG1      ILE  68  -0.936  -8.772  -7.046
  510   2HG1  ILE  68          2HG1      ILE  68  -2.170  -9.664  -7.933
  511   1HG2  ILE  68          1HG2      ILE  68  -0.117 -10.611  -5.704
  512   2HG2  ILE  68          2HG2      ILE  68  -1.236 -11.791  -4.992
  513   3HG2  ILE  68          3HG2      ILE  68  -1.112 -11.635  -6.751
  514   1HD1  ILE  68          1HD1      ILE  68  -3.901  -8.105  -7.149
  515   2HD1  ILE  68          2HD1      ILE  68  -2.729  -7.320  -6.061
  516   3HD1  ILE  68          3HD1      ILE  68  -2.550  -7.179  -7.819
  517    H    SER  69           H        SER  69  -4.808 -10.262  -7.900
  518    HA   SER  69           HA       SER  69  -4.141 -12.839  -9.082
  519   1HB   SER  69          1HB       SER  69  -6.965 -12.134  -8.159
  520   2HB   SER  69          2HB       SER  69  -6.668 -13.297  -9.476
  521    HG   SER  69           HG       SER  69  -5.203 -13.580  -7.122
  522    H    ARG  70           H        ARG  70  -4.934 -12.842 -11.408
  523    HA   ARG  70           HA       ARG  70  -3.990 -10.503 -12.594
  524   1HB   ARG  70          1HB       ARG  70  -4.102 -12.871 -13.542
  525   2HB   ARG  70          2HB       ARG  70  -5.796 -12.585 -13.915
  526   1HG   ARG  70          1HG       ARG  70  -4.435 -12.311 -15.885
  527   2HG   ARG  70          2HG       ARG  70  -5.128 -10.742 -15.468
  528   1HD   ARG  70          1HD       ARG  70  -3.051  -9.903 -14.683
  529   2HD   ARG  70          2HD       ARG  70  -2.367 -11.520 -14.492
  530    HE   ARG  70           HE       ARG  70  -2.872 -10.131 -17.103
  531   1HH1  ARG  70          1HH1      ARG  70  -0.881 -12.492 -15.287
  532   2HH1  ARG  70          2HH1      ARG  70  -0.159 -13.125 -16.727
  533   1HH2  ARG  70          1HH2      ARG  70  -1.805 -10.765 -18.839
  534   2HH2  ARG  70          2HH2      ARG  70  -0.609 -12.043 -18.828
  535    H    ARG  71           H        ARG  71  -7.405 -11.456 -12.061
  536    HA   ARG  71           HA       ARG  71  -8.606  -9.312 -13.463
  537   1HB   ARG  71          1HB       ARG  71  -9.816 -11.302 -12.657
  538   2HB   ARG  71          2HB       ARG  71  -9.504 -10.852 -10.985
  539   1HG   ARG  71          1HG       ARG  71 -11.786 -10.398 -11.581
  540   2HG   ARG  71          2HG       ARG  71 -10.980  -8.887 -11.198
  541   1HD   ARG  71          1HD       ARG  71 -11.318  -9.871 -14.064
  542   2HD   ARG  71          2HD       ARG  71 -12.592  -8.981 -13.214
  543    HE   ARG  71           HE       ARG  71 -10.213  -7.487 -12.949
  544   1HH1  ARG  71          1HH2      ARG  71 -12.454  -8.447 -15.537
  545   2HH1  ARG  71          2HH2      ARG  71 -12.212  -7.018 -16.469
  546   1HH2  ARG  71          1HH1      ARG  71  -9.937  -5.576 -14.150
  547   2HH2  ARG  71          2HH1      ARG  71 -10.735  -5.346 -15.665
  548    H    LEU  72           H        LEU  72  -7.381  -9.478 -10.078
  549    HA   LEU  72           HA       LEU  72  -8.260  -6.802  -9.425
  550   1HB   LEU  72          1HB       LEU  72  -6.348  -8.783  -8.155
  551   2HB   LEU  72          2HB       LEU  72  -6.200  -7.070  -7.764
  552    HG   LEU  72           HG       LEU  72  -8.600  -6.984  -7.190
  553   1HD1  LEU  72          1HD1      LEU  72  -8.450 -10.030  -7.373
  554   2HD1  LEU  72          2HD1      LEU  72  -9.776  -9.115  -6.626
  555   3HD1  LEU  72          3HD1      LEU  72  -9.477  -8.960  -8.357
  556   1HD2  LEU  72          1HD2      LEU  72  -6.852  -7.174  -5.474
  557   2HD2  LEU  72          2HD2      LEU  72  -8.309  -8.038  -4.971
  558   3HD2  LEU  72          3HD2      LEU  72  -6.910  -8.951  -5.579
  559    H    CYS  73           H        CYS  73  -5.167  -8.189 -10.671
  560    HA   CYS  73           HA       CYS  73  -3.734  -5.793 -10.555
  561   1HB   CYS  73          1HB       CYS  73  -3.515  -7.979 -12.691
  562   2HB   CYS  73          2HB       CYS  73  -2.292  -6.753 -12.338
  563    HG   CYS  73           HG       CYS  73  -3.497  -9.077 -10.291
  564    H    ARG  74           H        ARG  74  -5.913  -6.973 -13.175
  565    HA   ARG  74           HA       ARG  74  -5.498  -4.668 -14.867
  566   1HB   ARG  74          1HB       ARG  74  -7.687  -6.788 -14.710
  567   2HB   ARG  74          2HB       ARG  74  -7.632  -5.534 -15.957
  568   1HG   ARG  74          1HG       ARG  74  -5.485  -6.346 -16.782
  569   2HG   ARG  74          2HG       ARG  74  -5.402  -7.566 -15.496
  570   1HD   ARG  74          1HD       ARG  74  -7.446  -8.634 -16.332
  571   2HD   ARG  74          2HD       ARG  74  -7.592  -7.411 -17.612
  572    HE   ARG  74           HE       ARG  74  -5.145  -8.321 -18.167
  573   1HH1  ARG  74          1HH2      ARG  74  -8.210 -10.070 -17.647
  574   2HH1  ARG  74          2HH2      ARG  74  -7.730 -11.451 -18.559
  575   1HH2  ARG  74          1HH1      ARG  74  -4.466 -10.176 -19.210
  576   2HH2  ARG  74          2HH1      ARG  74  -5.558 -11.497 -19.547
  577    H    ASN  75           H        ASN  75  -7.569  -5.195 -12.045
  578    HA   ASN  75           HA       ASN  75  -9.659  -3.424 -12.813
  579   1HB   ASN  75          1HB       ASN  75  -9.905  -5.258 -11.156
  580   2HB   ASN  75          2HB       ASN  75  -8.867  -4.378 -10.036
  581   1HD2  ASN  75          2HD2      ASN  75  -9.827  -2.743  -8.736
  582   2HD2  ASN  75          1HD2      ASN  75 -11.511  -2.304  -8.871
  583    H    TYR  76           H        TYR  76  -6.505  -2.655 -11.516
  584    HA   TYR  76           HA       TYR  76  -7.443   0.102 -10.854
  585   1HB   TYR  76          1HB       TYR  76  -5.222  -1.386  -9.444
  586   2HB   TYR  76          2HB       TYR  76  -5.838   0.211  -9.066
  587    HD1  TYR  76           HD1      TYR  76  -7.778   0.459  -7.582
  588    HD2  TYR  76           HD2      TYR  76  -6.560  -3.400  -8.986
  589    HE1  TYR  76           HE1      TYR  76  -9.356  -0.598  -6.005
  590    HE2  TYR  76           HE2      TYR  76  -8.118  -4.499  -7.410
  591    HH   TYR  76           HH       TYR  76  -9.750  -4.172  -5.790
  592    H    ASP  77           H        ASP  77  -5.807   1.788 -11.334
  593    HA   ASP  77           HA       ASP  77  -4.652   1.093 -13.939
  594   1HB   ASP  77          1HB       ASP  77  -5.908   3.215 -13.576
  595   2HB   ASP  77          2HB       ASP  77  -4.639   3.759 -12.472
  596    H    LEU  78           H        LEU  78  -3.508   1.860 -10.683
  597    HA   LEU  78           HA       LEU  78  -0.672   1.560 -11.532
  598   1HB   LEU  78          1HB       LEU  78  -1.664   3.978 -11.367
  599   2HB   LEU  78          2HB       LEU  78  -1.732   3.700  -9.642
  600    HG   LEU  78           HG       LEU  78   0.170   5.021 -10.234
  601   1HD1  LEU  78          1HD1      LEU  78   1.887   3.969  -9.058
  602   2HD1  LEU  78          2HD1      LEU  78   0.395   3.273  -8.418
  603   3HD1  LEU  78          3HD1      LEU  78   1.398   2.344  -9.561
  604   1HD2  LEU  78          1HD2      LEU  78   0.433   4.293 -12.567
  605   2HD2  LEU  78          2HD2      LEU  78   1.966   4.320 -11.694
  606   3HD2  LEU  78          3HD2      LEU  78   1.166   2.769 -12.015
  607    H    ILE  79           H        ILE  79   0.515   0.386  -9.995
  608    HA   ILE  79           HA       ILE  79  -1.100  -0.700  -7.724
  609    HB   ILE  79           HB       ILE  79   0.932  -2.208  -9.394
  610   1HG1  ILE  79          1HG1      ILE  79  -0.910  -1.703 -10.917
  611   2HG1  ILE  79          2HG1      ILE  79  -0.812  -3.407 -10.540
  612   1HG2  ILE  79          1HG2      ILE  79   0.657  -3.157  -7.189
  613   2HG2  ILE  79          2HG2      ILE  79  -1.111  -3.095  -7.316
  614   3HG2  ILE  79          3HG2      ILE  79  -0.181  -4.198  -8.348
  615   1HD1  ILE  79          1HD1      ILE  79  -2.747  -3.267  -9.054
  616   2HD1  ILE  79          2HD1      ILE  79  -2.810  -1.498  -9.252
  617   3HD1  ILE  79          3HD1      ILE  79  -3.144  -2.564 -10.625
  618    H    LEU  80           H        LEU  80  -0.048  -0.822  -5.786
  619    HA   LEU  80           HA       LEU  80   2.732   0.226  -5.680
  620   1HB   LEU  80          1HB       LEU  80   0.225   1.017  -4.256
  621   2HB   LEU  80          2HB       LEU  80   1.601   0.773  -3.206
  622    HG   LEU  80           HG       LEU  80   1.454   3.079  -3.774
  623   1HD1  LEU  80          1HD1      LEU  80   3.698   3.512  -4.485
  624   2HD1  LEU  80          2HD1      LEU  80   3.711   1.989  -3.567
  625   3HD1  LEU  80          3HD1      LEU  80   3.832   1.982  -5.342
  626   1HD2  LEU  80          1HD2      LEU  80   0.289   2.892  -5.949
  627   2HD2  LEU  80          2HD2      LEU  80   1.686   3.983  -6.011
  628   3HD2  LEU  80          3HD2      LEU  80   1.808   2.353  -6.700
  629    H    THR  81           H        THR  81   4.074  -0.538  -4.111
  630    HA   THR  81           HA       THR  81   3.339  -3.015  -2.659
  631    HB   THR  81           HB       THR  81   5.265  -4.140  -3.545
  632    HG1  THR  81           1HG      THR  81   5.685  -1.871  -5.183
  633   1HG2  THR  81          1HG2      THR  81   4.756  -4.511  -5.882
  634   2HG2  THR  81          2HG2      THR  81   3.225  -4.318  -5.001
  635   3HG2  THR  81          3HG2      THR  81   3.873  -2.981  -5.987
  636    H    MET  82           H        MET  82   5.734  -3.500  -1.344
  637    HA   MET  82           HA       MET  82   6.525  -0.839  -0.217
  638   1HB   MET  82          1HB       MET  82   6.104  -3.542   1.099
  639   2HB   MET  82          2HB       MET  82   6.717  -2.107   1.923
  640   1HG   MET  82          1HG       MET  82   3.996  -2.288   0.567
  641   2HG   MET  82          2HG       MET  82   4.269  -2.520   2.282
  642   1HE   MET  82          1HE       MET  82   2.551  -0.302   0.228
  643   2HE   MET  82          2HE       MET  82   2.088  -0.591   1.924
  644   3HE   MET  82          3HE       MET  82   2.449   1.058   1.362
  645    H    GLU  83           H        GLU  83   7.747  -3.637  -1.841
  646    HA   GLU  83           HA       GLU  83  10.503  -2.829  -1.316
  647   1HB   GLU  83          1HB       GLU  83  11.136  -5.065  -0.394
  648   2HB   GLU  83          2HB       GLU  83  10.113  -4.106   0.661
  649   1HG   GLU  83          1HG       GLU  83   8.121  -5.511  -0.343
  650   2HG   GLU  83          2HG       GLU  83   9.390  -6.601  -0.891
  651    H    LYS  84           H        LYS  84  12.042  -4.085  -2.685
  652    HA   LYS  84           HA       LYS  84  11.036  -3.941  -5.327
  653   1HB   LYS  84          1HB       LYS  84  13.597  -5.338  -4.443
  654   2HB   LYS  84          2HB       LYS  84  13.249  -4.707  -6.050
  655   1HG   LYS  84          1HG       LYS  84  13.534  -3.037  -3.525
  656   2HG   LYS  84          2HG       LYS  84  14.805  -3.289  -4.709
  657   1HD   LYS  84          1HD       LYS  84  13.752  -1.953  -6.348
  658   2HD   LYS  84          2HD       LYS  84  12.167  -2.086  -5.587
  659   1HE   LYS  84          1HE       LYS  84  13.017   0.141  -5.219
  660   2HE   LYS  84          2HE       LYS  84  12.879  -0.730  -3.688
  661   1HZ   LYS  84          1HZ       LYS  84  15.272  -1.103  -3.742
  662   2HZ   LYS  84          2HZ       LYS  84  15.379  -0.155  -5.144
  663   3HZ   LYS  84          3HZ       LYS  84  14.864   0.462  -3.713
  664    H    ARG  85           H        ARG  85  11.689  -6.877  -3.341
  665    HA   ARG  85           HA       ARG  85  11.189  -8.674  -5.456
  666   1HB   ARG  85          1HB       ARG  85  10.799 -10.393  -3.758
  667   2HB   ARG  85          2HB       ARG  85  12.261  -9.456  -3.460
  668   1HG   ARG  85          1HG       ARG  85  11.125  -8.169  -1.697
  669   2HG   ARG  85          2HG       ARG  85   9.605  -9.025  -2.021
  670   1HD   ARG  85          1HD       ARG  85  10.621 -11.154  -1.353
  671   2HD   ARG  85          2HD       ARG  85  12.185 -10.345  -1.084
  672    HE   ARG  85           HE       ARG  85  10.411  -8.884   0.447
  673   1HH1  ARG  85          1HH2      ARG  85  11.339 -12.326   0.484
  674   2HH1  ARG  85          2HH2      ARG  85  10.980 -12.507   2.163
  675   1HH2  ARG  85          1HH1      ARG  85   9.968  -9.078   2.473
  676   2HH2  ARG  85          2HH1      ARG  85  10.161 -10.565   3.389
  677    H    HIS  86           H        HIS  86   8.807  -6.814  -3.548
  678    HA   HIS  86           HA       HIS  86   6.582  -8.538  -4.307
  679   1HB   HIS  86          1HB       HIS  86   6.713  -5.656  -3.366
  680   2HB   HIS  86          2HB       HIS  86   5.214  -6.501  -3.735
  681    HD1  HIS  86           HD1      HIS  86   7.461  -8.811  -1.829
  682    HD2  HIS  86           HD2      HIS  86   4.690  -5.734  -1.101
  683    HE1  HIS  86           HE1      HIS  86   6.844  -8.966   0.631
  684    H    ILE  87           H        ILE  87   8.194  -5.628  -5.682
  685    HA   ILE  87           HA       ILE  87   6.375  -5.202  -7.835
  686    HB   ILE  87           HB       ILE  87   9.392  -4.751  -7.880
  687   1HG1  ILE  87          1HG1      ILE  87   7.242  -2.829  -6.896
  688   2HG1  ILE  87          2HG1      ILE  87   8.415  -3.654  -5.863
  689   1HG2  ILE  87          1HG2      ILE  87   7.269  -3.148  -9.318
  690   2HG2  ILE  87          2HG2      ILE  87   9.019  -3.139  -9.586
  691   3HG2  ILE  87          3HG2      ILE  87   8.080  -4.542 -10.071
  692   1HD1  ILE  87          1HD1      ILE  87  10.266  -2.510  -7.147
  693   2HD1  ILE  87          2HD1      ILE  87   9.014  -1.521  -7.939
  694   3HD1  ILE  87          3HD1      ILE  87   9.220  -1.447  -6.189
  695    H    GLU  88           H        GLU  88   9.361  -7.227  -7.538
  696    HA   GLU  88           HA       GLU  88   9.308  -8.154 -10.221
  697   1HB   GLU  88          1HB       GLU  88  10.514  -9.375  -7.702
  698   2HB   GLU  88          2HB       GLU  88  10.779 -10.003  -9.332
  699   1HG   GLU  88          1HG       GLU  88  11.722  -7.819 -10.035
  700   2HG   GLU  88          2HG       GLU  88  11.512  -7.193  -8.402
  701    H    ARG  89           H        ARG  89   7.913  -9.659  -7.224
  702    HA   ARG  89           HA       ARG  89   6.988 -11.986  -8.590
  703   1HB   ARG  89          1HB       ARG  89   5.998 -10.690  -6.038
  704   2HB   ARG  89          2HB       ARG  89   5.427 -12.239  -6.659
  705   1HG   ARG  89          1HG       ARG  89   8.246 -11.576  -5.796
  706   2HG   ARG  89          2HG       ARG  89   7.102 -12.617  -4.951
  707   1HD   ARG  89          1HD       ARG  89   8.641 -13.096  -7.502
  708   2HD   ARG  89          2HD       ARG  89   8.726 -14.012  -6.000
  709    HE   ARG  89           HE       ARG  89   6.264 -14.619  -6.532
  710   1HH1  ARG  89          1HH2      ARG  89   8.878 -14.360  -8.920
  711   2HH1  ARG  89          2HH2      ARG  89   8.065 -15.293 -10.136
  712   1HH2  ARG  89          1HH1      ARG  89   5.198 -15.910  -8.134
  713   2HH2  ARG  89          2HH1      ARG  89   5.952 -16.179  -9.679
  714    H    LEU  90           H        LEU  90   5.367  -8.820  -7.917
  715    HA   LEU  90           HA       LEU  90   2.885  -9.700  -9.034
  716   1HB   LEU  90          1HB       LEU  90   3.312  -7.772  -7.450
  717   2HB   LEU  90          2HB       LEU  90   3.827  -6.819  -8.839
  718    HG   LEU  90           HG       LEU  90   1.158  -8.261  -8.959
  719   1HD1  LEU  90          1HD1      LEU  90   0.035  -6.447  -7.768
  720   2HD1  LEU  90          2HD1      LEU  90   1.192  -7.276  -6.722
  721   3HD1  LEU  90          3HD1      LEU  90   1.608  -5.689  -7.392
  722   1HD2  LEU  90          1HD2      LEU  90   1.906  -5.451  -9.882
  723   2HD2  LEU  90          2HD2      LEU  90   1.890  -6.870 -10.936
  724   3HD2  LEU  90          3HD2      LEU  90   0.391  -6.312 -10.200
  725    H    CYS  91           H        CYS  91   5.782  -8.158 -10.483
  726    HA   CYS  91           HA       CYS  91   4.732  -7.634 -13.044
  727   1HB   CYS  91          1HB       CYS  91   6.989  -6.954 -12.186
  728   2HB   CYS  91          2HB       CYS  91   7.519  -8.645 -12.310
  729    HG   CYS  91           HG       CYS  91   6.958  -8.880 -14.887
  730    H    GLU  92           H        GLU  92   5.957 -10.742 -11.599
  731    HA   GLU  92           HA       GLU  92   5.633 -12.216 -14.033
  732   1HB   GLU  92          1HB       GLU  92   7.051 -12.892 -12.045
  733   2HB   GLU  92          2HB       GLU  92   5.557 -13.336 -11.206
  734   1HG   GLU  92          1HG       GLU  92   5.023 -14.899 -13.128
  735   2HG   GLU  92          2HG       GLU  92   6.594 -14.504 -13.829
  736    H    MET  93           H        MET  93   3.469 -11.600 -11.210
  737    HA   MET  93           HA       MET  93   1.362 -13.340 -12.016
  738   1HB   MET  93          1HB       MET  93   1.297 -10.767 -10.381
  739   2HB   MET  93          2HB       MET  93  -0.083 -11.825 -10.594
  740   1HG   MET  93          1HG       MET  93   2.557 -12.660  -9.341
  741   2HG   MET  93          2HG       MET  93   1.125 -12.178  -8.446
  742   1HE   MET  93          1HE       MET  93  -1.354 -15.136  -8.958
  743   2HE   MET  93          2HE       MET  93  -1.013 -13.624  -8.093
  744   3HE   MET  93          3HE       MET  93  -1.338 -13.600  -9.843
  745    H    ALA  94           H        ALA  94   2.061  -9.929 -12.893
  746    HA   ALA  94           HA       ALA  94   0.163 -10.163 -15.157
  747   1HB   ALA  94          1HB       ALA  94  -0.947  -8.058 -14.529
  748   2HB   ALA  94          2HB       ALA  94  -1.184  -9.305 -13.286
  749   3HB   ALA  94          3HB       ALA  94  -0.011  -8.000 -13.015
  750    HA   PRO  95           HA       PRO  95   4.093  -8.056 -16.408
  751   1HB   PRO  95          1HB       PRO  95   3.201  -9.267 -19.012
  752   2HB   PRO  95          2HB       PRO  95   4.850  -9.150 -18.319
  753   1HG   PRO  95          1HG       PRO  95   3.468 -11.501 -18.254
  754   2HG   PRO  95          2HG       PRO  95   4.448 -10.976 -16.850
  755   1HD   PRO  95          1HD       PRO  95   1.458 -10.746 -17.242
  756   2HD   PRO  95          2HD       PRO  95   2.373 -11.257 -15.792
  757    H    GLU  96           H        GLU  96   0.758  -8.068 -17.636
  758    HA   GLU  96           HA       GLU  96   0.726  -5.819 -19.298
  759   1HB   GLU  96          1HB       GLU  96  -1.306  -6.712 -17.198
  760   2HB   GLU  96          2HB       GLU  96  -1.638  -5.576 -18.516
  761   1HG   GLU  96          1HG       GLU  96  -1.218  -7.310 -20.185
  762   2HG   GLU  96          2HG       GLU  96  -0.692  -8.433 -18.923
  763    H    MET  97           H        MET  97   1.072  -6.019 -15.806
  764    HA   MET  97           HA       MET  97   0.781  -3.076 -15.498
  765   1HB   MET  97          1HB       MET  97   0.852  -5.229 -13.349
  766   2HB   MET  97          2HB       MET  97   0.505  -3.515 -13.121
  767   1HG   MET  97          1HG       MET  97  -1.184  -5.569 -14.574
  768   2HG   MET  97          2HG       MET  97  -1.570  -4.724 -13.082
  769   1HE   MET  97          1HE       MET  97  -2.525  -2.320 -12.910
  770   2HE   MET  97          2HE       MET  97  -1.016  -1.676 -13.594
  771   3HE   MET  97          3HE       MET  97  -2.584  -1.163 -14.254
  772    H    ARG  98           H        ARG  98   3.286  -4.959 -16.351
  773    HA   ARG  98           HA       ARG  98   5.358  -4.389 -14.484
  774   1HB   ARG  98          1HB       ARG  98   5.546  -5.961 -16.351
  775   2HB   ARG  98          2HB       ARG  98   5.400  -4.639 -17.524
  776   1HG   ARG  98          1HG       ARG  98   7.554  -3.699 -16.759
  777   2HG   ARG  98          2HG       ARG  98   7.675  -4.964 -15.523
  778   1HD   ARG  98          1HD       ARG  98   7.526  -6.677 -17.404
  779   2HD   ARG  98          2HD       ARG  98   7.657  -5.352 -18.557
  780    HE   ARG  98           HE       ARG  98   9.720  -6.538 -16.875
  781   1HH1  ARG  98          1HH2      ARG  98   8.922  -3.697 -18.856
  782   2HH1  ARG  98          2HH2      ARG  98  10.562  -3.204 -19.063
  783   1HH2  ARG  98          1HH1      ARG  98  11.905  -5.877 -17.150
  784   2HH2  ARG  98          2HH1      ARG  98  12.293  -4.481 -18.078
  785    H    GLY  99           H        GLY  99   6.510  -2.514 -14.072
  786   1HA   GLY  99          1HA       GLY  99   7.201  -0.321 -14.212
  787   2HA   GLY  99          2HA       GLY  99   6.380  -0.154 -15.770
  788    H    LYS 100           H        LYS 100   3.717  -0.946 -14.911
  789    HA   LYS 100           HA       LYS 100   2.793   1.428 -13.492
  790   1HB   LYS 100          1HB       LYS 100   1.304  -1.128 -14.226
  791   2HB   LYS 100          2HB       LYS 100   0.563   0.344 -13.645
  792   1HG   LYS 100          1HG       LYS 100   2.121   0.095 -16.265
  793   2HG   LYS 100          2HG       LYS 100   0.378  -0.024 -16.118
  794   1HD   LYS 100          1HD       LYS 100   1.993   2.471 -15.413
  795   2HD   LYS 100          2HD       LYS 100   1.130   2.184 -16.933
  796   1HE   LYS 100          1HE       LYS 100  -0.993   1.852 -15.593
  797   2HE   LYS 100          2HE       LYS 100  -0.119   2.356 -14.154
  798   1HZ   LYS 100          1HZ       LYS 100  -0.591   4.026 -16.550
  799   2HZ   LYS 100          2HZ       LYS 100  -1.366   4.143 -15.112
  800   3HZ   LYS 100          3HZ       LYS 100   0.236   4.518 -15.223
  801    H    VAL 101           H        VAL 101   4.052  -1.646 -12.436
  802    HA   VAL 101           HA       VAL 101   2.944  -1.180  -9.752
  803    HB   VAL 101           HB       VAL 101   2.735  -3.399 -10.597
  804   1HG1  VAL 101          1HG1      VAL 101   5.756  -3.577 -10.829
  805   2HG1  VAL 101          2HG1      VAL 101   4.630  -4.941 -10.921
  806   3HG1  VAL 101          3HG1      VAL 101   4.587  -3.673 -12.143
  807   1HG2  VAL 101          1HG2      VAL 101   3.711  -4.593  -8.671
  808   2HG2  VAL 101          2HG2      VAL 101   4.809  -3.244  -8.367
  809   3HG2  VAL 101          3HG2      VAL 101   3.053  -3.028  -8.186
  810    H    MET 102           H        MET 102   4.172  -0.375  -8.096
  811    HA   MET 102           HA       MET 102   7.108  -0.051  -8.397
  812   1HB   MET 102          1HB       MET 102   5.127   2.266  -8.100
  813   2HB   MET 102          2HB       MET 102   6.865   2.404  -7.800
  814   1HG   MET 102          1HG       MET 102   7.335   1.672 -10.105
  815   2HG   MET 102          2HG       MET 102   5.606   1.613 -10.442
  816   1HE   MET 102          1HE       MET 102   4.218   3.494 -11.287
  817   2HE   MET 102          2HE       MET 102   4.126   3.921  -9.565
  818   3HE   MET 102          3HE       MET 102   4.434   5.185 -10.777
  819    H    LEU 103           H        LEU 103   7.871   1.137  -6.184
  820    HA   LEU 103           HA       LEU 103   6.249  -0.052  -3.993
  821   1HB   LEU 103          1HB       LEU 103   8.044  -0.177  -2.601
  822   2HB   LEU 103          2HB       LEU 103   8.556  -0.927  -4.103
  823    HG   LEU 103           HG       LEU 103   9.361   1.806  -2.994
  824   1HD1  LEU 103          1HD1      LEU 103  10.843  -0.839  -3.219
  825   2HD1  LEU 103          2HD1      LEU 103  11.550   0.705  -2.649
  826   3HD1  LEU 103          3HD1      LEU 103  10.254  -0.065  -1.735
  827   1HD2  LEU 103          1HD2      LEU 103   9.475   1.925  -5.446
  828   2HD2  LEU 103          2HD2      LEU 103  11.090   1.869  -4.752
  829   3HD2  LEU 103          3HD2      LEU 103  10.407   0.409  -5.495
  830    H    PHE 104           H        PHE 104   5.918   1.085  -2.069
  831    HA   PHE 104           HA       PHE 104   5.081   3.711  -2.590
  832   1HB   PHE 104          1HB       PHE 104   4.342   1.810  -0.868
  833   2HB   PHE 104          2HB       PHE 104   5.437   2.642   0.214
  834    HD1  PHE 104           HD1      PHE 104   3.874   3.406   1.829
  835    HD2  PHE 104           HD2      PHE 104   3.071   4.145  -2.344
  836    HE1  PHE 104           HE1      PHE 104   1.878   4.765   2.428
  837    HE2  PHE 104           HE2      PHE 104   1.151   5.523  -1.750
  838    HZ   PHE 104           HZ       PHE 104   0.481   5.778   0.624
  839    H    GLY 105           H        GLY 105   8.014   2.494  -1.021
  840   1HA   GLY 105          1HA       GLY 105   8.912   5.080  -0.091
  841   2HA   GLY 105          2HA       GLY 105   9.834   3.574  -0.141
  842    H    HIS 106           H        HIS 106   8.648   4.035  -3.262
  843    HA   HIS 106           HA       HIS 106  10.813   4.500  -4.761
  844   1HB   HIS 106          1HB       HIS 106   8.684   4.238  -5.758
  845   2HB   HIS 106          2HB       HIS 106   8.055   5.708  -5.011
  846    HD1  HIS 106           HD1      HIS 106  10.725   4.779  -7.709
  847    HD2  HIS 106           HD2      HIS 106   8.091   7.836  -6.493
  848    HE1  HIS 106           HE1      HIS 106  10.860   6.591  -9.487
  849    H    TRP 107           H        TRP 107   9.052   7.290  -3.246
  850    HA   TRP 107           HA       TRP 107  10.639   9.238  -4.504
  851   1HB   TRP 107          1HB       TRP 107   9.190   9.516  -1.849
  852   2HB   TRP 107          2HB       TRP 107   9.605  10.804  -2.971
  853    HD1  TRP 107           HD1      TRP 107   6.957   8.283  -2.196
  854    HE1  TRP 107           HE1      TRP 107   5.026   8.444  -3.828
  855    HE3  TRP 107           HE3      TRP 107   9.096  11.379  -5.688
  856    HZ2  TRP 107           HZ2      TRP 107   4.447   9.726  -6.363
  857    HZ3  TRP 107           HZ3      TRP 107   7.820  12.036  -7.713
  858    HH2  TRP 107           HH2      TRP 107   5.484  11.217  -8.049
  859    H    ASP 108           H        ASP 108  11.235   7.497  -1.443
  860    HA   ASP 108           HA       ASP 108  13.371   9.433  -0.729
  861   1HB   ASP 108          1HB       ASP 108  11.788   8.897   1.032
  862   2HB   ASP 108          2HB       ASP 108  12.147   7.179   0.877
  863    H    ASN 109           H        ASN 109  14.260   8.620  -2.828
  864    HA   ASN 109           HA       ASN 109  15.655   7.359  -4.063
  865   1HB   ASN 109          1HB       ASN 109  17.203   8.444  -2.462
  866   2HB   ASN 109          2HB       ASN 109  17.136   7.006  -1.435
  867   1HD2  ASN 109          2HD2      ASN 109  17.659   7.747  -4.976
  868   2HD2  ASN 109          1HD2      ASN 109  19.025   6.679  -5.139
  869    H    GLU 110           H        GLU 110  13.460   5.978  -3.685
  870    HA   GLU 110           HA       GLU 110  12.496   3.970  -3.589
  871   1HB   GLU 110          1HB       GLU 110  13.415   2.319  -5.099
  872   2HB   GLU 110          2HB       GLU 110  13.491   3.941  -5.758
  873   1HG   GLU 110          1HG       GLU 110  15.884   4.069  -5.420
  874   2HG   GLU 110          2HG       GLU 110  15.890   2.580  -4.467
  875    H    CYS 111           H        CYS 111  13.480   4.411  -1.077
  876    HA   CYS 111           HA       CYS 111  14.964   2.192  -0.067
  877   1HB   CYS 111          1HB       CYS 111  14.126   2.893   2.139
  878   2HB   CYS 111          2HB       CYS 111  14.756   4.266   1.215
  879    HG   CYS 111           HG       CYS 111  11.607   3.330   1.128
  880    H    GLU 112           H        GLU 112  14.355   0.136   0.518
  881    HA   GLU 112           HA       GLU 112  11.607  -0.760   0.064
  882   1HB   GLU 112          1HB       GLU 112  13.889  -2.231   1.473
  883   2HB   GLU 112          2HB       GLU 112  12.379  -2.893   0.863
  884   1HG   GLU 112          1HG       GLU 112  13.941  -3.521  -0.746
  885   2HG   GLU 112          2HG       GLU 112  13.079  -2.163  -1.462
  886    H    ILE 113           H        ILE 113  10.031  -0.926   1.629
  887    HA   ILE 113           HA       ILE 113  10.579   0.461   4.158
  888    HB   ILE 113           HB       ILE 113   8.037  -0.513   2.818
  889   1HG1  ILE 113          1HG1      ILE 113   9.395   2.207   3.062
  890   2HG1  ILE 113          2HG1      ILE 113   9.084   1.294   1.590
  891   1HG2  ILE 113          1HG2      ILE 113   6.757   0.656   4.460
  892   2HG2  ILE 113          2HG2      ILE 113   7.792  -0.450   5.323
  893   3HG2  ILE 113          3HG2      ILE 113   8.205   1.277   5.274
  894   1HD1  ILE 113          1HD1      ILE 113   7.546   3.105   1.663
  895   2HD1  ILE 113          2HD1      ILE 113   6.627   1.616   1.963
  896   3HD1  ILE 113          3HD1      ILE 113   7.033   2.718   3.303
  897    HA   PRO 114           HA       PRO 114  11.070  -3.428   6.368
  898   1HB   PRO 114          1HB       PRO 114   9.820  -2.060   8.723
  899   2HB   PRO 114          2HB       PRO 114  11.384  -2.910   8.610
  900   1HG   PRO 114          1HG       PRO 114  11.247  -0.180   8.688
  901   2HG   PRO 114          2HG       PRO 114  12.448  -1.029   7.663
  902   1HD   PRO 114          1HD       PRO 114   9.813   0.199   6.835
  903   2HD   PRO 114          2HD       PRO 114  11.410   0.270   6.032
  904    H    ASP 115           H        ASP 115   9.728  -5.040   7.652
  905    HA   ASP 115           HA       ASP 115   6.838  -4.914   6.894
  906   1HB   ASP 115          1HB       ASP 115   7.859  -6.572   5.557
  907   2HB   ASP 115          2HB       ASP 115   8.778  -7.219   6.922
  908    HA   PRO 116           HA       PRO 116   6.870  -5.159  11.419
  909   1HB   PRO 116          1HB       PRO 116   4.508  -4.001  11.971
  910   2HB   PRO 116          2HB       PRO 116   5.812  -3.054  11.205
  911   1HG   PRO 116          1HG       PRO 116   3.462  -4.415   9.842
  912   2HG   PRO 116          2HG       PRO 116   4.015  -2.720   9.653
  913   1HD   PRO 116          1HD       PRO 116   4.771  -4.769   7.955
  914   2HD   PRO 116          2HD       PRO 116   5.837  -3.384   8.304
  915    H    TYR 117           H        TYR 117   4.948  -7.061   9.271
  916    HA   TYR 117           HA       TYR 117   2.737  -7.868  10.493
  917   1HB   TYR 117          1HB       TYR 117   3.365  -8.561   8.304
  918   2HB   TYR 117          2HB       TYR 117   4.766  -9.447   8.904
  919    HD1  TYR 117           HD1      TYR 117   4.620 -11.712   9.498
  920    HD2  TYR 117           HD2      TYR 117   1.034  -9.406   8.943
  921    HE1  TYR 117           HE1      TYR 117   3.270 -13.791   9.711
  922    HE2  TYR 117           HE2      TYR 117  -0.344 -11.472   9.147
  923    HH   TYR 117           HH       TYR 117  -0.318 -13.777   9.573
  924    H    ARG 118           H        ARG 118   5.941  -9.134  11.544
  925    HA   ARG 118           HA       ARG 118   4.510 -10.630  13.692
  926   1HB   ARG 118          1HB       ARG 118   6.163 -12.395  13.517
  927   2HB   ARG 118          2HB       ARG 118   5.319 -12.168  11.991
  928   1HG   ARG 118          1HG       ARG 118   7.266 -10.930  11.070
  929   2HG   ARG 118          2HG       ARG 118   8.117 -11.105  12.615
  930   1HD   ARG 118          1HD       ARG 118   8.012 -13.593  12.360
  931   2HD   ARG 118          2HD       ARG 118   7.192 -13.381  10.814
  932    HE   ARG 118           HE       ARG 118   9.152 -12.755   9.794
  933   1HH1  ARG 118          1HH2      ARG 118   9.742 -12.968  13.293
  934   2HH1  ARG 118          2HH2      ARG 118  11.457 -12.868  13.152
  935   1HH2  ARG 118          1HH1      ARG 118  11.434 -12.616   9.609
  936   2HH2  ARG 118          2HH1      ARG 118  12.436 -12.664  11.007
  937    H    LYS 119           H        LYS 119   5.735  -7.837  13.663
  938    HA   LYS 119           HA       LYS 119   7.810  -8.269  15.780
  939   1HB   LYS 119          1HB       LYS 119   7.711  -6.183  13.565
  940   2HB   LYS 119          2HB       LYS 119   8.848  -6.177  14.920
  941   1HG   LYS 119          1HG       LYS 119   9.700  -8.414  14.225
  942   2HG   LYS 119          2HG       LYS 119   8.614  -8.387  12.834
  943   1HD   LYS 119          1HD       LYS 119  10.859  -7.799  12.158
  944   2HD   LYS 119          2HD       LYS 119   9.774  -6.428  11.913
  945   1HE   LYS 119          1HE       LYS 119  10.614  -5.370  13.994
  946   2HE   LYS 119          2HE       LYS 119  11.620  -6.785  14.325
  947   1HZ   LYS 119          1HZ       LYS 119  12.893  -5.000  13.325
  948   2HZ   LYS 119          2HZ       LYS 119  12.888  -6.283  12.326
  949   3HZ   LYS 119          3HZ       LYS 119  11.952  -4.982  11.995
  950    H    SER 120           H        SER 120   8.155  -6.100  17.000
  951    HA   SER 120           HA       SER 120   5.837  -5.880  18.608
  952   1HB   SER 120          1HB       SER 120   8.288  -4.070  18.608
  953   2HB   SER 120          2HB       SER 120   7.225  -4.447  19.977
  954    HG   SER 120           HG       SER 120   9.158  -5.673  20.022
  955    H    ARG 121           H        ARG 121   4.849  -3.778  19.347
  956    HA   ARG 121           HA       ARG 121   3.622  -2.369  17.235
  957   1HB   ARG 121          1HB       ARG 121   2.770  -2.601  19.590
  958   2HB   ARG 121          2HB       ARG 121   3.977  -1.414  20.110
  959   1HG   ARG 121          1HG       ARG 121   2.928   0.278  18.589
  960   2HG   ARG 121          2HG       ARG 121   1.748  -0.936  18.077
  961   1HD   ARG 121          1HD       ARG 121   0.966  -1.126  20.444
  962   2HD   ARG 121          2HD       ARG 121   2.086   0.155  20.908
  963    HE   ARG 121           HE       ARG 121  -0.474   0.393  19.564
  964   1HH1  ARG 121          1HH1      ARG 121   2.612   2.131  20.138
  965   2HH1  ARG 121          2HH1      ARG 121   1.885   3.680  19.751
  966   1HH2  ARG 121          1HH2      ARG 121  -1.306   2.599  19.061
  967   2HH2  ARG 121          2HH2      ARG 121  -0.156   3.908  19.220
  968    H    GLU 122           H        GLU 122   6.696  -1.682  18.904
  969    HA   GLU 122           HA       GLU 122   7.041   0.977  18.002
  970   1HB   GLU 122          1HB       GLU 122   8.413  -0.291  19.721
  971   2HB   GLU 122          2HB       GLU 122   9.161  -1.180  18.399
  972   1HG   GLU 122          1HG       GLU 122  10.666   0.555  19.038
  973   2HG   GLU 122          2HG       GLU 122  10.012   1.012  17.474
  974    H    THR 123           H        THR 123   7.560  -2.174  16.353
  975    HA   THR 123           HA       THR 123   8.860  -0.987  14.043
  976    HB   THR 123           HB       THR 123   7.441  -3.677  14.235
  977    HG1  THR 123           1HG      THR 123   9.125  -3.410  15.830
  978   1HG2  THR 123          1HG2      THR 123   8.049  -2.913  11.928
  979   2HG2  THR 123          2HG2      THR 123   9.724  -2.691  12.462
  980   3HG2  THR 123          3HG2      THR 123   8.994  -4.313  12.441
  981    H    PHE 124           H        PHE 124   5.450  -1.930  14.909
  982    HA   PHE 124           HA       PHE 124   4.336  -1.189  12.383
  983   1HB   PHE 124          1HB       PHE 124   3.167  -1.318  15.180
  984   2HB   PHE 124          2HB       PHE 124   2.250  -0.708  13.816
  985    HD1  PHE 124           HD1      PHE 124   3.816  -3.777  15.222
  986    HD2  PHE 124           HD2      PHE 124   1.388  -2.103  12.069
  987    HE1  PHE 124           HE1      PHE 124   3.096  -6.050  14.561
  988    HE2  PHE 124           HE2      PHE 124   0.676  -4.389  11.422
  989    HZ   PHE 124           HZ       PHE 124   1.523  -6.363  12.664
  990    H    ALA 125           H        ALA 125   5.086   0.808  15.302
  991    HA   ALA 125           HA       ALA 125   3.951   3.210  14.264
  992   1HB   ALA 125          1HB       ALA 125   4.491   2.866  16.647
  993   2HB   ALA 125          2HB       ALA 125   6.227   2.853  16.259
  994   3HB   ALA 125          3HB       ALA 125   5.271   4.325  16.002
  995    H    ALA 126           H        ALA 126   7.332   1.939  14.086
  996    HA   ALA 126           HA       ALA 126   8.416   4.141  12.643
  997   1HB   ALA 126          1HB       ALA 126   9.795   2.400  13.725
  998   2HB   ALA 126          2HB       ALA 126   9.201   1.188  12.566
  999   3HB   ALA 126          3HB       ALA 126  10.192   2.549  12.001
 1000    H    VAL 127           H        VAL 127   7.011   1.040  11.437
 1001    HA   VAL 127           HA       VAL 127   7.271   1.706   8.693
 1002    HB   VAL 127           HB       VAL 127   5.474  -0.250  10.177
 1003   1HG1  VAL 127          1HG1      VAL 127   5.923  -0.007   7.168
 1004   2HG1  VAL 127          2HG1      VAL 127   5.124  -1.360   7.982
 1005   3HG1  VAL 127          3HG1      VAL 127   4.378   0.231   8.026
 1006   1HG2  VAL 127          1HG2      VAL 127   7.979  -0.642  10.216
 1007   2HG2  VAL 127          2HG2      VAL 127   7.105  -1.901   9.350
 1008   3HG2  VAL 127          3HG2      VAL 127   7.963  -0.641   8.445
 1009    H    TYR 128           H        TYR 128   4.490   2.286  10.984
 1010    HA   TYR 128           HA       TYR 128   2.767   3.398   9.050
 1011   1HB   TYR 128          1HB       TYR 128   2.126   2.830  11.379
 1012   2HB   TYR 128          2HB       TYR 128   3.044   4.210  11.974
 1013    HD1  TYR 128           HD1      TYR 128   2.337   6.595  11.047
 1014    HD2  TYR 128           HD2      TYR 128  -0.143   3.068  10.809
 1015    HE1  TYR 128           HE1      TYR 128   0.399   8.009  10.529
 1016    HE2  TYR 128           HE2      TYR 128  -2.116   4.488  10.369
 1017    HH   TYR 128           HH       TYR 128  -2.913   6.650  10.086
 1018    H    THR 129           H        THR 129   5.367   4.980  11.010
 1019    HA   THR 129           HA       THR 129   4.854   7.609  10.064
 1020    HB   THR 129           HB       THR 129   7.505   6.398  10.972
 1021    HG1  THR 129           1HG      THR 129   5.968   6.023  12.540
 1022   1HG2  THR 129          1HG2      THR 129   7.978   8.698  11.781
 1023   2HG2  THR 129          2HG2      THR 129   7.776   8.657  10.025
 1024   3HG2  THR 129          3HG2      THR 129   6.458   9.267  11.049
 1025    H    LEU 130           H        LEU 130   7.015   5.017   8.782
 1026    HA   LEU 130           HA       LEU 130   8.036   6.618   6.644
 1027   1HB   LEU 130          1HB       LEU 130   9.122   4.642   7.626
 1028   2HB   LEU 130          2HB       LEU 130   7.856   3.596   6.988
 1029    HG   LEU 130           HG       LEU 130   8.597   3.878   4.745
 1030   1HD1  LEU 130          1HD1      LEU 130  10.524   5.356   4.115
 1031   2HD1  LEU 130          2HD1      LEU 130   9.112   6.280   4.615
 1032   3HD1  LEU 130          3HD1      LEU 130  10.475   6.077   5.739
 1033   1HD2  LEU 130          1HD2      LEU 130  10.887   3.042   4.881
 1034   2HD2  LEU 130          2HD2      LEU 130  11.081   3.733   6.507
 1035   3HD2  LEU 130          3HD2      LEU 130   9.949   2.404   6.245
 1036    H    LEU 131           H        LEU 131   5.216   4.381   6.847
 1037    HA   LEU 131           HA       LEU 131   4.381   4.666   4.140
 1038   1HB   LEU 131          1HB       LEU 131   3.156   3.725   6.721
 1039   2HB   LEU 131          2HB       LEU 131   2.044   4.314   5.497
 1040    HG   LEU 131           HG       LEU 131   2.941   2.795   3.833
 1041   1HD1  LEU 131          1HD1      LEU 131   4.628   1.616   6.057
 1042   2HD1  LEU 131          2HD1      LEU 131   4.407   0.922   4.438
 1043   3HD1  LEU 131          3HD1      LEU 131   5.235   2.474   4.634
 1044   1HD2  LEU 131          1HD2      LEU 131   1.983   0.733   4.738
 1045   2HD2  LEU 131          2HD2      LEU 131   2.139   1.362   6.397
 1046   3HD2  LEU 131          3HD2      LEU 131   1.031   2.134   5.241
 1047    H    GLU 132           H        GLU 132   3.749   6.711   7.062
 1048    HA   GLU 132           HA       GLU 132   1.850   8.368   5.758
 1049   1HB   GLU 132          1HB       GLU 132   2.214   8.262   8.210
 1050   2HB   GLU 132          2HB       GLU 132   3.725   9.154   8.036
 1051   1HG   GLU 132          1HG       GLU 132   1.268  10.361   6.776
 1052   2HG   GLU 132          2HG       GLU 132   1.283  10.262   8.523
 1053    H    ARG 133           H        ARG 133   5.430   8.790   6.186
 1054    HA   ARG 133           HA       ARG 133   5.618  11.118   4.589
 1055   1HB   ARG 133          1HB       ARG 133   7.626   8.831   4.887
 1056   2HB   ARG 133          2HB       ARG 133   7.991  10.378   4.133
 1057   1HG   ARG 133          1HG       ARG 133   7.198   9.934   7.026
 1058   2HG   ARG 133          2HG       ARG 133   8.818  10.275   6.423
 1059   1HD   ARG 133          1HD       ARG 133   6.431  12.172   6.303
 1060   2HD   ARG 133          2HD       ARG 133   7.762  12.276   7.440
 1061    HE   ARG 133           HE       ARG 133   7.732  13.072   4.631
 1062   1HH1  ARG 133          1HH2      ARG 133   9.838  12.332   7.393
 1063   2HH1  ARG 133          2HH2      ARG 133  11.189  13.206   6.779
 1064   1HH2  ARG 133          1HH1      ARG 133   9.531  14.251   3.819
 1065   2HH2  ARG 133          2HH1      ARG 133  11.006  14.315   4.701
 1066    H    SER 134           H        SER 134   5.721   7.694   3.583
 1067    HA   SER 134           HA       SER 134   6.199   8.198   0.824
 1068   1HB   SER 134          1HB       SER 134   4.674   5.908   2.126
 1069   2HB   SER 134          2HB       SER 134   5.333   5.926   0.481
 1070    HG   SER 134           HG       SER 134   6.727   5.990   2.961
 1071    H    ALA 135           H        ALA 135   3.064   7.711   2.580
 1072    HA   ALA 135           HA       ALA 135   1.399   8.126   0.344
 1073   1HB   ALA 135          1HB       ALA 135  -0.380   8.502   2.002
 1074   2HB   ALA 135          2HB       ALA 135   0.638   7.138   2.503
 1075   3HB   ALA 135          3HB       ALA 135   0.833   8.716   3.285
 1076    H    ARG 136           H        ARG 136   2.825  10.483   2.652
 1077    HA   ARG 136           HA       ARG 136   1.410  12.774   1.698
 1078   1HB   ARG 136          1HB       ARG 136   2.650  12.515   3.858
 1079   2HB   ARG 136          2HB       ARG 136   4.173  12.508   2.972
 1080   1HG   ARG 136          1HG       ARG 136   3.664  14.831   2.170
 1081   2HG   ARG 136          2HG       ARG 136   2.209  14.829   3.184
 1082   1HD   ARG 136          1HD       ARG 136   5.054  14.353   4.199
 1083   2HD   ARG 136          2HD       ARG 136   4.260  15.917   4.222
 1084    HE   ARG 136           HE       ARG 136   3.577  13.507   5.871
 1085   1HH1  ARG 136          1HH2      ARG 136   2.927  16.950   5.194
 1086   2HH1  ARG 136          2HH2      ARG 136   2.175  17.239   6.717
 1087   1HH2  ARG 136          1HH1      ARG 136   2.640  13.903   7.890
 1088   2HH2  ARG 136          2HH1      ARG 136   1.990  15.466   8.274
 1089    H    GLN 137           H        GLN 137   4.580  11.310   0.716
 1090    HA   GLN 137           HA       GLN 137   5.181  13.305  -1.229
 1091   1HB   GLN 137          1HB       GLN 137   6.060  10.411  -0.968
 1092   2HB   GLN 137          2HB       GLN 137   6.749  11.550  -2.122
 1093   1HG   GLN 137          1HG       GLN 137   6.774  12.184   0.850
 1094   2HG   GLN 137          2HG       GLN 137   7.946  11.082   0.142
 1095   1HE2  GLN 137          2HE2      GLN 137   9.582  12.593   0.871
 1096   2HE2  GLN 137          1HE2      GLN 137   9.920  14.029  -0.064
 1097    H    TRP 138           H        TRP 138   3.553  10.072  -1.541
 1098    HA   TRP 138           HA       TRP 138   3.017  10.324  -4.315
 1099   1HB   TRP 138          1HB       TRP 138   1.662   8.732  -2.116
 1100   2HB   TRP 138          2HB       TRP 138   1.071   8.730  -3.771
 1101    HD1  TRP 138           HD1      TRP 138   3.739   7.191  -1.628
 1102    HE1  TRP 138           HE1      TRP 138   5.333   5.759  -2.959
 1103    HE3  TRP 138           HE3      TRP 138   1.966   8.235  -6.313
 1104    HZ2  TRP 138           HZ2      TRP 138   5.690   4.969  -5.748
 1105    HZ3  TRP 138           HZ3      TRP 138   2.948   7.105  -8.292
 1106    HH2  TRP 138           HH2      TRP 138   4.826   5.498  -8.018
 1107    H    ALA 139           H        ALA 139   1.090  11.470  -1.468
 1108    HA   ALA 139           HA       ALA 139  -1.083  12.460  -2.981
 1109   1HB   ALA 139          1HB       ALA 139  -1.155  12.198  -0.545
 1110   2HB   ALA 139          2HB       ALA 139   0.068  13.473  -0.343
 1111   3HB   ALA 139          3HB       ALA 139  -1.523  13.874  -1.003
 1112    H    GLN 140           H        GLN 140   1.986  14.063  -1.998
 1113    HA   GLN 140           HA       GLN 140   1.532  16.594  -3.148
 1114   1HB   GLN 140          1HB       GLN 140   3.314  16.259  -1.655
 1115   2HB   GLN 140          2HB       GLN 140   3.988  14.921  -2.538
 1116   1HG   GLN 140          1HG       GLN 140   4.036  17.804  -3.480
 1117   2HG   GLN 140          2HG       GLN 140   5.334  16.983  -2.609
 1118   1HE2  GLN 140          2HE2      GLN 140   5.074  14.365  -4.126
 1119   2HE2  GLN 140          1HE2      GLN 140   5.729  14.730  -5.699
 1120    H    ALA 141           H        ALA 141   2.561  13.523  -4.710
 1121    HA   ALA 141           HA       ALA 141   3.076  14.802  -7.258
 1122   1HB   ALA 141          1HB       ALA 141   4.174  12.714  -6.540
 1123   2HB   ALA 141          2HB       ALA 141   2.619  11.857  -6.590
 1124   3HB   ALA 141          3HB       ALA 141   3.310  12.518  -8.083
 1125    H    LEU 142           H        LEU 142   0.483  12.675  -6.018
 1126    HA   LEU 142           HA       LEU 142  -1.303  12.678  -8.151
 1127   1HB   LEU 142          1HB       LEU 142  -1.760  12.628  -5.160
 1128   2HB   LEU 142          2HB       LEU 142  -3.082  12.454  -6.295
 1129    HG   LEU 142           HG       LEU 142  -0.667  10.595  -6.320
 1130   1HD1  LEU 142          1HD1      LEU 142  -1.789  10.433  -4.138
 1131   2HD1  LEU 142          2HD1      LEU 142  -3.360  10.231  -4.944
 1132   3HD1  LEU 142          3HD1      LEU 142  -2.101   8.985  -5.103
 1133   1HD2  LEU 142          1HD2      LEU 142  -3.458  10.296  -7.508
 1134   2HD2  LEU 142          2HD2      LEU 142  -1.963  10.588  -8.424
 1135   3HD2  LEU 142          3HD2      LEU 142  -2.181   9.078  -7.538
 1136    H    ASN 143           H        ASN 143  -0.974  15.166  -5.609
 1137    HA   ASN 143           HA       ASN 143  -3.131  16.805  -6.290
 1138   1HB   ASN 143          1HB       ASN 143  -1.745  17.012  -4.243
 1139   2HB   ASN 143          2HB       ASN 143  -0.397  17.601  -5.217
 1140   1HD2  ASN 143          2HD2      ASN 143  -0.198  19.836  -5.142
 1141   2HD2  ASN 143          1HD2      ASN 143  -1.529  20.943  -4.944
 1142    H    ALA 144           H        ALA 144  -0.247  16.285  -8.207
 1143    HA   ALA 144           HA       ALA 144  -1.231  18.338 -10.078
 1144   1HB   ALA 144          1HB       ALA 144   1.093  19.074 -10.537
 1145   2HB   ALA 144          2HB       ALA 144   0.715  19.309  -8.821
 1146   3HB   ALA 144          3HB       ALA 144   1.707  17.923  -9.328
 1147    H    GLU 145           H        GLU 145  -1.569  15.473  -9.904
 1148    HA   GLU 145           HA       GLU 145  -0.055  14.424 -12.214
 1149   1HB   GLU 145          1HB       GLU 145  -0.285  13.150 -10.056
 1150   2HB   GLU 145          2HB       GLU 145  -2.018  13.029 -10.346
 1151   1HG   GLU 145          1HG       GLU 145  -0.819  10.994 -10.942
 1152   2HG   GLU 145          2HG       GLU 145  -1.592  11.692 -12.356
 1153    H    GLN 146           H        GLN 146  -1.411  16.423 -13.128
 1154    HA   GLN 146           HA       GLN 146  -3.654  15.277 -14.609
 1155   1HB   GLN 146          1HB       GLN 146  -3.708  18.052 -13.307
 1156   2HB   GLN 146          2HB       GLN 146  -4.891  17.417 -14.442
 1157   1HG   GLN 146          1HG       GLN 146  -5.937  17.166 -12.368
 1158   2HG   GLN 146          2HG       GLN 146  -5.376  15.552 -12.773
 1159   1HE2  GLN 146          2HE2      GLN 146  -4.748  14.546 -10.845
 1160   2HE2  GLN 146          1HE2      GLN 146  -3.838  15.298  -9.568
 1161    H    VAL 147           H        VAL 147  -3.787  16.041 -16.678
 1162    HA   VAL 147           HA       VAL 147  -1.605  17.670 -17.782
 1163    HB   VAL 147           HB       VAL 147  -1.180  15.708 -19.382
 1164   1HG1  VAL 147          1HG1      VAL 147   0.427  16.414 -17.606
 1165   2HG1  VAL 147          2HG1      VAL 147  -0.318  15.247 -16.490
 1166   3HG1  VAL 147          3HG1      VAL 147   0.498  14.682 -17.957
 1167   1HG2  VAL 147          1HG2      VAL 147  -2.404  14.030 -17.121
 1168   2HG2  VAL 147          2HG2      VAL 147  -3.118  14.261 -18.734
 1169   3HG2  VAL 147          3HG2      VAL 147  -1.570  13.425 -18.565
  Start of MODEL   13
    1    H    MET   1           H        MET   1  -6.454  11.032 -15.345
    2    HA   MET   1           HA       MET   1  -4.290  11.130 -13.368
    3   1HB   MET   1          1HB       MET   1  -6.302  12.849 -13.270
    4   2HB   MET   1          2HB       MET   1  -7.221  11.477 -12.664
    5   1HG   MET   1          1HG       MET   1  -4.633  12.580 -11.484
    6   2HG   MET   1          2HG       MET   1  -6.253  12.967 -10.924
    7   1HE   MET   1          1HE       MET   1  -5.609  12.472  -8.439
    8   2HE   MET   1          2HE       MET   1  -4.737  11.007  -7.934
    9   3HE   MET   1          3HE       MET   1  -3.960  12.169  -9.032
   10    H    PHE   2           H        PHE   2  -3.998   9.207 -12.205
   11    HA   PHE   2           HA       PHE   2  -4.876   6.813 -13.351
   12   1HB   PHE   2          1HB       PHE   2  -3.905   7.232 -10.501
   13   2HB   PHE   2          2HB       PHE   2  -3.915   5.718 -11.388
   14    HD1  PHE   2           HD1      PHE   2  -1.918   8.502 -10.480
   15    HD2  PHE   2           HD2      PHE   2  -2.587   5.735 -13.716
   16    HE1  PHE   2           HE1      PHE   2   0.364   8.958 -11.342
   17    HE2  PHE   2           HE2      PHE   2  -0.311   6.200 -14.582
   18    HZ   PHE   2           HZ       PHE   2   1.173   7.806 -13.393
   19    H    ASN   3           H        ASN   3  -6.310   8.605 -10.650
   20    HA   ASN   3           HA       ASN   3  -8.249   8.575  -9.578
   21   1HB   ASN   3          1HB       ASN   3  -9.390   8.790 -11.609
   22   2HB   ASN   3          2HB       ASN   3  -9.102   7.120 -12.080
   23   1HD2  ASN   3          2HD2      ASN   3 -11.054   9.172  -9.874
   24   2HD2  ASN   3          1HD2      ASN   3 -12.247   7.942  -9.559
   25    H    ASN   4           H        ASN   4  -7.373   5.228 -10.523
   26    HA   ASN   4           HA       ASN   4  -8.470   4.304  -7.920
   27   1HB   ASN   4          1HB       ASN   4  -9.263   2.245  -9.128
   28   2HB   ASN   4          2HB       ASN   4 -10.181   3.714  -9.425
   29   1HD2  ASN   4          2HD2      ASN   4 -10.166   4.664 -11.530
   30   2HD2  ASN   4          1HD2      ASN   4  -9.498   3.806 -12.907
   31    H    ILE   5           H        ILE   5  -7.070   3.274  -6.775
   32    HA   ILE   5           HA       ILE   5  -4.617   2.169  -8.048
   33    HB   ILE   5           HB       ILE   5  -4.997   4.183  -5.819
   34   1HG1  ILE   5          1HG1      ILE   5  -2.869   4.241  -7.964
   35   2HG1  ILE   5          2HG1      ILE   5  -4.516   4.679  -8.399
   36   1HG2  ILE   5          1HG2      ILE   5  -2.612   4.059  -5.197
   37   2HG2  ILE   5          2HG2      ILE   5  -3.425   2.555  -4.815
   38   3HG2  ILE   5          3HG2      ILE   5  -2.392   2.650  -6.257
   39   1HD1  ILE   5          1HD1      ILE   5  -4.536   6.413  -6.683
   40   2HD1  ILE   5          2HD1      ILE   5  -2.832   6.064  -6.292
   41   3HD1  ILE   5          3HD1      ILE   5  -3.274   6.668  -7.903
   42    H    LEU   6           H        LEU   6  -3.566   0.512  -6.866
   43    HA   LEU   6           HA       LEU   6  -5.162  -0.725  -4.660
   44   1HB   LEU   6          1HB       LEU   6  -5.817  -1.679  -6.751
   45   2HB   LEU   6          2HB       LEU   6  -4.167  -2.042  -7.204
   46    HG   LEU   6           HG       LEU   6  -5.622  -3.961  -6.533
   47   1HD1  LEU   6          1HD1      LEU   6  -3.192  -4.186  -6.560
   48   2HD1  LEU   6          2HD1      LEU   6  -3.120  -3.678  -4.858
   49   3HD1  LEU   6          3HD1      LEU   6  -3.952  -5.170  -5.301
   50   1HD2  LEU   6          1HD2      LEU   6  -5.243  -3.005  -3.685
   51   2HD2  LEU   6          2HD2      LEU   6  -6.758  -2.841  -4.612
   52   3HD2  LEU   6          3HD2      LEU   6  -6.097  -4.451  -4.243
   53    H    VAL   7           H        VAL   7  -3.912  -1.189  -2.974
   54    HA   VAL   7           HA       VAL   7  -0.981  -0.996  -3.279
   55    HB   VAL   7           HB       VAL   7  -2.674  -1.149  -0.751
   56   1HG1  VAL   7          1HG1      VAL   7  -0.626  -0.231   0.309
   57   2HG1  VAL   7          2HG1      VAL   7  -0.313  -1.798  -0.418
   58   3HG1  VAL   7          3HG1      VAL   7   0.225  -0.318  -1.246
   59   1HG2  VAL   7          1HG2      VAL   7  -2.268   1.303  -0.551
   60   2HG2  VAL   7          2HG2      VAL   7  -1.561   1.313  -2.183
   61   3HG2  VAL   7          3HG2      VAL   7  -3.278   0.916  -1.941
   62    H    VAL   8           H        VAL   8   0.364  -2.780  -2.933
   63    HA   VAL   8           HA       VAL   8  -0.911  -5.324  -2.022
   64    HB   VAL   8           HB       VAL   8   1.293  -5.078  -4.105
   65   1HG1  VAL   8          1HG1      VAL   8   1.241  -7.218  -2.798
   66   2HG1  VAL   8          2HG1      VAL   8  -0.455  -7.448  -3.299
   67   3HG1  VAL   8          3HG1      VAL   8   0.847  -7.466  -4.493
   68   1HG2  VAL   8          1HG2      VAL   8  -0.368  -5.807  -5.791
   69   2HG2  VAL   8          2HG2      VAL   8  -1.653  -5.649  -4.573
   70   3HG2  VAL   8          3HG2      VAL   8  -0.754  -4.217  -5.137
   71    H    CYS   9           H        CYS   9   0.109  -6.170  -0.257
   72    HA   CYS   9           HA       CYS   9   3.024  -5.593   0.110
   73   1HB   CYS   9          1HB       CYS   9   0.976  -5.678   2.367
   74   2HB   CYS   9          2HB       CYS   9   2.719  -5.355   2.503
   75    HG   CYS   9           HG       CYS   9   0.258  -3.652   1.205
   76    H    VAL  10           H        VAL  10   3.778  -7.359   2.017
   77    HA   VAL  10           HA       VAL  10   2.733  -9.953   0.996
   78    HB   VAL  10           HB       VAL  10   5.096  -9.855   1.085
   79   1HG1  VAL  10          1HG1      VAL  10   4.962  -9.406   4.088
   80   2HG1  VAL  10          2HG1      VAL  10   6.414  -9.740   3.131
   81   3HG1  VAL  10          3HG1      VAL  10   5.538  -8.238   2.867
   82   1HG2  VAL  10          1HG2      VAL  10   3.971 -11.991   1.507
   83   2HG2  VAL  10          2HG2      VAL  10   5.530 -11.894   2.338
   84   3HG2  VAL  10          3HG2      VAL  10   4.027 -11.686   3.259
   85    H    GLY  11           H        GLY  11   2.999  -7.997   4.052
   86   1HA   GLY  11          1HA       GLY  11   0.914  -9.707   5.300
   87   2HA   GLY  11          2HA       GLY  11   1.849  -8.399   6.060
   88    H    ASN  12           H        ASN  12  -0.465  -8.872   3.348
   89    HA   ASN  12           HA       ASN  12  -1.668  -6.477   3.120
   90   1HB   ASN  12          1HB       ASN  12  -2.355  -8.485   1.889
   91   2HB   ASN  12          2HB       ASN  12  -3.124  -9.139   3.332
   92   1HD2  ASN  12          1HD2      ASN  12  -4.043  -5.881   3.456
   93   2HD2  ASN  12          2HD2      ASN  12  -5.540  -6.071   2.569
   94    H    ILE  13           H        ILE  13  -2.361  -8.741   5.850
   95    HA   ILE  13           HA       ILE  13  -4.478  -7.207   6.918
   96    HB   ILE  13           HB       ILE  13  -4.314  -8.522   8.884
   97   1HG1  ILE  13          1HG1      ILE  13  -1.975  -8.581   9.410
   98   2HG1  ILE  13          2HG1      ILE  13  -2.670 -10.183   9.398
   99   1HG2  ILE  13          1HG2      ILE  13  -4.567 -10.755   7.959
  100   2HG2  ILE  13          2HG2      ILE  13  -5.325  -9.545   6.930
  101   3HG2  ILE  13          3HG2      ILE  13  -3.778 -10.269   6.445
  102   1HD1  ILE  13          1HD1      ILE  13  -1.587 -10.611   7.169
  103   2HD1  ILE  13          2HD1      ILE  13  -0.805  -9.009   7.305
  104   3HD1  ILE  13          3HD1      ILE  13  -0.449 -10.274   8.481
  105    H    CYS  14           H        CYS  14  -1.388  -6.037   6.637
  106    HA   CYS  14           HA       CYS  14  -1.695  -4.312   9.055
  107   1HB   CYS  14          1HB       CYS  14   0.920  -5.502   8.014
  108   2HB   CYS  14          2HB       CYS  14   0.727  -4.399   9.385
  109    HG   CYS  14           HG       CYS  14   1.260  -6.822  10.244
  110    H    ARG  15           H        ARG  15   0.449  -4.540   6.106
  111    HA   ARG  15           HA       ARG  15   0.722  -1.652   6.250
  112   1HB   ARG  15          1HB       ARG  15   1.821  -3.734   4.333
  113   2HB   ARG  15          2HB       ARG  15   2.137  -1.991   4.174
  114   1HG   ARG  15          1HG       ARG  15   2.981  -2.037   6.569
  115   2HG   ARG  15          2HG       ARG  15   2.895  -3.799   6.495
  116   1HD   ARG  15          1HD       ARG  15   4.477  -2.053   4.554
  117   2HD   ARG  15          2HD       ARG  15   5.161  -2.770   6.013
  118    HE   ARG  15           HE       ARG  15   4.079  -4.949   4.687
  119   1HH1  ARG  15          1HH2      ARG  15   6.664  -2.637   4.225
  120   2HH1  ARG  15          2HH2      ARG  15   7.579  -3.615   3.142
  121   1HH2  ARG  15          2HH1      ARG  15   5.363  -6.317   3.500
  122   2HH2  ARG  15          1HH1      ARG  15   6.806  -5.785   2.664
  123    H    SER  16           H        SER  16  -0.827  -3.799   3.779
  124    HA   SER  16           HA       SER  16  -1.269  -1.815   1.948
  125   1HB   SER  16          1HB       SER  16  -3.226  -4.065   2.411
  126   2HB   SER  16          2HB       SER  16  -2.850  -3.215   0.895
  127    HG   SER  16           HG       SER  16  -1.761  -5.163   0.918
  128    HA   PRO  17           HA       PRO  17  -5.527  -0.570   3.665
  129   1HB   PRO  17          1HB       PRO  17  -6.254  -1.044   6.270
  130   2HB   PRO  17          2HB       PRO  17  -6.605  -2.139   4.900
  131   1HG   PRO  17          1HG       PRO  17  -4.301  -2.305   6.869
  132   2HG   PRO  17          2HG       PRO  17  -5.410  -3.617   6.349
  133   1HD   PRO  17          1HD       PRO  17  -2.982  -3.315   5.229
  134   2HD   PRO  17          2HD       PRO  17  -4.398  -3.755   4.222
  135    H    THR  18           H        THR  18  -2.660  -0.491   5.790
  136    HA   THR  18           HA       THR  18  -3.326   2.015   7.063
  137    HB   THR  18           HB       THR  18  -0.640   0.621   6.654
  138    HG1  THR  18           1HG      THR  18  -1.686  -0.718   7.937
  139   1HG2  THR  18          1HG2      THR  18  -1.499   2.842   8.551
  140   2HG2  THR  18          2HG2      THR  18   0.026   1.930   8.677
  141   3HG2  THR  18          3HG2      THR  18  -0.276   2.955   7.270
  142    H    ALA  19           H        ALA  19  -1.238   1.116   4.217
  143    HA   ALA  19           HA       ALA  19  -0.639   3.823   3.492
  144   1HB   ALA  19          1HB       ALA  19   0.692   2.004   2.616
  145   2HB   ALA  19          2HB       ALA  19  -0.740   1.248   1.886
  146   3HB   ALA  19          3HB       ALA  19  -0.138   2.787   1.243
  147    H    GLU  20           H        GLU  20  -3.232   1.559   2.436
  148    HA   GLU  20           HA       GLU  20  -4.458   3.113   0.465
  149   1HB   GLU  20          1HB       GLU  20  -5.040   0.798   0.946
  150   2HB   GLU  20          2HB       GLU  20  -5.543   1.240   2.576
  151   1HG   GLU  20          1HG       GLU  20  -7.358   2.714   1.338
  152   2HG   GLU  20          2HG       GLU  20  -6.998   1.636  -0.008
  153    H    ARG  21           H        ARG  21  -5.298   3.015   4.004
  154    HA   ARG  21           HA       ARG  21  -7.192   5.129   3.722
  155   1HB   ARG  21          1HB       ARG  21  -5.702   3.996   6.134
  156   2HB   ARG  21          2HB       ARG  21  -6.966   5.215   6.240
  157   1HG   ARG  21          1HG       ARG  21  -7.363   2.416   5.107
  158   2HG   ARG  21          2HG       ARG  21  -7.815   2.985   6.710
  159   1HD   ARG  21          1HD       ARG  21  -9.113   4.842   5.193
  160   2HD   ARG  21          2HD       ARG  21  -9.134   3.491   4.053
  161    HE   ARG  21           HE       ARG  21 -10.599   3.816   6.528
  162   1HH1  ARG  21          1HH2      ARG  21  -9.444   1.241   4.279
  163   2HH1  ARG  21          2HH2      ARG  21 -10.220  -0.002   5.187
  164   1HH2  ARG  21          1HH1      ARG  21 -11.358   2.132   7.783
  165   2HH2  ARG  21          2HH1      ARG  21 -11.290   0.496   7.247
  166    H    LEU  22           H        LEU  22  -3.695   5.208   4.550
  167    HA   LEU  22           HA       LEU  22  -3.592   7.972   5.234
  168   1HB   LEU  22          1HB       LEU  22  -1.612   5.999   4.056
  169   2HB   LEU  22          2HB       LEU  22  -1.179   7.689   4.222
  170    HG   LEU  22           HG       LEU  22  -2.215   6.137   6.622
  171   1HD1  LEU  22          1HD1      LEU  22   0.217   5.784   7.203
  172   2HD1  LEU  22          2HD1      LEU  22  -0.333   4.845   5.808
  173   3HD1  LEU  22          3HD1      LEU  22   0.630   6.295   5.545
  174   1HD2  LEU  22          1HD2      LEU  22  -2.153   8.573   6.869
  175   2HD2  LEU  22          2HD2      LEU  22  -0.840   7.865   7.816
  176   3HD2  LEU  22          3HD2      LEU  22  -0.488   8.633   6.258
  177    H    LEU  23           H        LEU  23  -3.238   6.344   2.032
  178    HA   LEU  23           HA       LEU  23  -2.835   8.706   0.498
  179   1HB   LEU  23          1HB       LEU  23  -4.048   5.994  -0.164
  180   2HB   LEU  23          2HB       LEU  23  -3.831   7.240  -1.381
  181    HG   LEU  23           HG       LEU  23  -1.475   6.310   0.289
  182   1HD1  LEU  23          1HD1      LEU  23  -2.471   4.291  -0.679
  183   2HD1  LEU  23          2HD1      LEU  23  -2.496   5.046  -2.295
  184   3HD1  LEU  23          3HD1      LEU  23  -0.964   4.661  -1.480
  185   1HD2  LEU  23          1HD2      LEU  23  -1.212   8.392  -1.038
  186   2HD2  LEU  23          2HD2      LEU  23  -0.186   7.098  -1.652
  187   3HD2  LEU  23          3HD2      LEU  23  -1.684   7.512  -2.508
  188    H    GLN  24           H        GLN  24  -5.876   7.032   1.486
  189    HA   GLN  24           HA       GLN  24  -7.525   8.891   0.015
  190   1HB   GLN  24          1HB       GLN  24  -8.214   6.922   2.236
  191   2HB   GLN  24          2HB       GLN  24  -9.381   7.910   1.339
  192   1HG   GLN  24          1HG       GLN  24  -8.300   6.908  -0.806
  193   2HG   GLN  24          2HG       GLN  24  -7.626   5.681   0.265
  194   1HE2  GLN  24          2HE2      GLN  24 -10.369   6.737  -1.486
  195   2HE2  GLN  24          1HE2      GLN  24 -11.551   5.612  -0.817
  196    H    ARG  25           H        ARG  25  -6.191   8.918   3.352
  197    HA   ARG  25           HA       ARG  25  -7.807  11.060   4.250
  198   1HB   ARG  25          1HB       ARG  25  -6.117   9.550   5.548
  199   2HB   ARG  25          2HB       ARG  25  -4.891  10.734   5.065
  200   1HG   ARG  25          1HG       ARG  25  -6.243  12.532   6.168
  201   2HG   ARG  25          2HG       ARG  25  -7.480  11.322   6.564
  202   1HD   ARG  25          1HD       ARG  25  -5.552  10.052   7.767
  203   2HD   ARG  25          2HD       ARG  25  -4.683  11.599   7.703
  204    HE   ARG  25           HE       ARG  25  -7.140  12.289   8.707
  205   1HH1  ARG  25          1HH2      ARG  25  -4.631  10.035   9.799
  206   2HH1  ARG  25          2HH2      ARG  25  -5.282   9.871  11.398
  207   1HH2  ARG  25          1HH1      ARG  25  -8.066  11.967  10.784
  208   2HH2  ARG  25          2HH1      ARG  25  -7.431  10.748  11.831
  209    H    TYR  26           H        TYR  26  -4.700  11.003   2.445
  210    HA   TYR  26           HA       TYR  26  -4.575  13.846   2.142
  211   1HB   TYR  26          1HB       TYR  26  -3.259  11.574   0.617
  212   2HB   TYR  26          2HB       TYR  26  -2.991  13.275   0.261
  213    HD1  TYR  26           HD1      TYR  26  -2.387  14.819   2.338
  214    HD2  TYR  26           HD2      TYR  26  -1.692  10.565   2.131
  215    HE1  TYR  26           HE1      TYR  26  -0.708  15.012   4.134
  216    HE2  TYR  26           HE2      TYR  26  -0.002  10.749   3.931
  217    HH   TYR  26           HH       TYR  26   1.047  12.168   5.458
  218    H    HIS  27           H        HIS  27  -6.259  11.322   0.163
  219    HA   HIS  27           HA       HIS  27  -7.461  13.534  -1.426
  220   1HB   HIS  27          1HB       HIS  27  -6.068  11.056  -2.500
  221   2HB   HIS  27          2HB       HIS  27  -7.196  12.055  -3.423
  222    HD1  HIS  27           HD1      HIS  27  -6.422  14.738  -3.700
  223    HD2  HIS  27           HD2      HIS  27  -3.537  11.833  -2.701
  224    HE1  HIS  27           HE1      HIS  27  -4.154  15.741  -4.281
  225    HA   PRO  28           HA       PRO  28 -10.592  10.703   0.448
  226   1HB   PRO  28          1HB       PRO  28 -12.220  13.193  -0.089
  227   2HB   PRO  28          2HB       PRO  28 -12.298  12.078   1.311
  228   1HG   PRO  28          1HG       PRO  28 -10.990  14.439   1.531
  229   2HG   PRO  28          2HG       PRO  28 -10.258  12.947   2.209
  230   1HD   PRO  28          1HD       PRO  28  -9.624  14.327  -0.408
  231   2HD   PRO  28          2HD       PRO  28  -8.513  13.630   0.808
  232    H    GLU  29           H        GLU  29 -10.554  12.453  -2.621
  233    HA   GLU  29           HA       GLU  29 -12.926  11.012  -3.635
  234   1HB   GLU  29          1HB       GLU  29 -12.713  12.387  -5.590
  235   2HB   GLU  29          2HB       GLU  29 -12.721  13.390  -4.154
  236   1HG   GLU  29          1HG       GLU  29 -10.129  12.614  -5.571
  237   2HG   GLU  29          2HG       GLU  29 -11.112  13.973  -6.082
  238    H    LEU  30           H        LEU  30  -9.613  10.333  -3.337
  239    HA   LEU  30           HA       LEU  30  -9.217   9.043  -5.937
  240   1HB   LEU  30          1HB       LEU  30  -7.431  10.149  -4.489
  241   2HB   LEU  30          2HB       LEU  30  -7.623   8.819  -3.346
  242    HG   LEU  30           HG       LEU  30  -6.904   7.242  -5.195
  243   1HD1  LEU  30          1HD1      LEU  30  -7.455   8.616  -7.171
  244   2HD1  LEU  30          2HD1      LEU  30  -6.331   9.878  -6.640
  245   3HD1  LEU  30          3HD1      LEU  30  -5.722   8.295  -7.155
  246   1HD2  LEU  30          1HD2      LEU  30  -4.510   7.913  -4.998
  247   2HD2  LEU  30          2HD2      LEU  30  -5.004   9.528  -4.462
  248   3HD2  LEU  30          3HD2      LEU  30  -5.350   8.109  -3.458
  249    H    LYS  31           H        LYS  31  -9.423   6.765  -6.289
  250    HA   LYS  31           HA       LYS  31 -10.888   5.302  -4.129
  251   1HB   LYS  31          1HB       LYS  31 -11.966   5.256  -6.322
  252   2HB   LYS  31          2HB       LYS  31 -10.491   4.660  -7.086
  253   1HG   LYS  31          1HG       LYS  31 -10.597   2.587  -5.736
  254   2HG   LYS  31          2HG       LYS  31 -12.040   3.180  -4.907
  255   1HD   LYS  31          1HD       LYS  31 -11.831   2.598  -7.895
  256   2HD   LYS  31          2HD       LYS  31 -12.517   1.510  -6.681
  257   1HE   LYS  31          1HE       LYS  31 -14.225   3.238  -6.107
  258   2HE   LYS  31          2HE       LYS  31 -13.578   4.289  -7.372
  259   1HZ   LYS  31          1HZ       LYS  31 -14.783   1.621  -7.827
  260   2HZ   LYS  31          2HZ       LYS  31 -15.490   3.049  -8.149
  261   3HZ   LYS  31          3HZ       LYS  31 -14.181   2.590  -9.001
  262    H    VAL  32           H        VAL  32  -9.633   3.976  -2.890
  263    HA   VAL  32           HA       VAL  32  -7.192   2.822  -4.070
  264    HB   VAL  32           HB       VAL  32  -7.139   4.024  -1.286
  265   1HG1  VAL  32          1HG1      VAL  32  -4.680   3.803  -1.622
  266   2HG1  VAL  32          2HG1      VAL  32  -5.498   2.237  -1.754
  267   3HG1  VAL  32          3HG1      VAL  32  -4.971   3.088  -3.215
  268   1HG2  VAL  32          1HG2      VAL  32  -5.747   5.867  -2.162
  269   2HG2  VAL  32          2HG2      VAL  32  -6.057   5.323  -3.825
  270   3HG2  VAL  32          3HG2      VAL  32  -7.378   5.950  -2.814
  271    H    GLU  33           H        GLU  33  -7.005   0.690  -3.505
  272    HA   GLU  33           HA       GLU  33  -8.439  -0.290  -1.100
  273   1HB   GLU  33          1HB       GLU  33  -8.756  -1.466  -3.893
  274   2HB   GLU  33          2HB       GLU  33  -9.190  -2.307  -2.398
  275   1HG   GLU  33          1HG       GLU  33 -10.688  -0.362  -1.809
  276   2HG   GLU  33          2HG       GLU  33 -10.432   0.254  -3.449
  277    H    SER  34           H        SER  34  -7.742  -2.809  -0.963
  278    HA   SER  34           HA       SER  34  -4.752  -2.811  -1.097
  279   1HB   SER  34          1HB       SER  34  -6.692  -3.464   1.143
  280   2HB   SER  34          2HB       SER  34  -4.974  -3.818   1.215
  281    HG   SER  34           HG       SER  34  -6.369  -1.374   1.219
  282    H    ALA  35           H        ALA  35  -3.735  -4.849  -1.088
  283    HA   ALA  35           HA       ALA  35  -5.208  -7.333  -0.746
  284   1HB   ALA  35          1HB       ALA  35  -3.838  -6.730  -3.415
  285   2HB   ALA  35          2HB       ALA  35  -4.580  -8.277  -2.941
  286   3HB   ALA  35          3HB       ALA  35  -5.598  -6.857  -3.187
  287    H    GLY  36           H        GLY  36  -3.304  -9.178  -1.288
  288   1HA   GLY  36          1HA       GLY  36  -0.627  -8.079  -1.185
  289   2HA   GLY  36          2HA       GLY  36  -1.063  -8.893   0.300
  290    H    LEU  37           H        LEU  37   1.110  -9.589  -1.191
  291    HA   LEU  37           HA       LEU  37   0.629 -11.813  -2.991
  292   1HB   LEU  37          1HB       LEU  37   3.045 -10.734  -1.503
  293   2HB   LEU  37          2HB       LEU  37   3.143 -12.222  -2.436
  294    HG   LEU  37           HG       LEU  37   2.130  -9.651  -3.698
  295   1HD1  LEU  37          1HD1      LEU  37   4.362  -9.189  -2.795
  296   2HD1  LEU  37          2HD1      LEU  37   5.012 -10.634  -3.604
  297   3HD1  LEU  37          3HD1      LEU  37   4.389  -9.267  -4.565
  298   1HD2  LEU  37          1HD2      LEU  37   3.451 -12.128  -4.907
  299   2HD2  LEU  37          2HD2      LEU  37   1.713 -11.799  -4.935
  300   3HD2  LEU  37          3HD2      LEU  37   2.820 -10.725  -5.796
  301    H    GLY  38           H        GLY  38   1.309 -11.537   0.512
  302   1HA   GLY  38          1HA       GLY  38   0.763 -14.472   0.794
  303   2HA   GLY  38          2HA       GLY  38   1.877 -13.548   1.818
  304    H    ALA  39           H        ALA  39  -1.310 -12.523   0.569
  305    HA   ALA  39           HA       ALA  39  -2.083 -11.410   3.101
  306   1HB   ALA  39          1HB       ALA  39  -2.860 -10.597   0.842
  307   2HB   ALA  39          2HB       ALA  39  -3.802 -12.099   0.691
  308   3HB   ALA  39          3HB       ALA  39  -4.199 -10.925   1.952
  309    H    LEU  40           H        LEU  40  -4.210 -11.935   4.107
  310    HA   LEU  40           HA       LEU  40  -4.691 -14.886   4.320
  311   1HB   LEU  40          1HB       LEU  40  -4.679 -12.739   6.475
  312   2HB   LEU  40          2HB       LEU  40  -5.188 -14.412   6.704
  313    HG   LEU  40           HG       LEU  40  -2.366 -13.540   5.953
  314   1HD1  LEU  40          1HD1      LEU  40  -2.989 -12.840   8.229
  315   2HD1  LEU  40          2HD1      LEU  40  -3.496 -14.498   8.618
  316   3HD1  LEU  40          3HD1      LEU  40  -1.789 -14.139   8.269
  317   1HD2  LEU  40          1HD2      LEU  40  -1.749 -15.881   6.539
  318   2HD2  LEU  40          2HD2      LEU  40  -3.471 -16.281   6.731
  319   3HD2  LEU  40          3HD2      LEU  40  -2.822 -15.816   5.142
  320    H    VAL  41           H        VAL  41  -6.388 -14.799   2.835
  321    HA   VAL  41           HA       VAL  41  -8.192 -12.770   2.549
  322    HB   VAL  41           HB       VAL  41  -7.873 -14.479   0.933
  323   1HG1  VAL  41          1HG1      VAL  41  -9.432 -16.427   2.672
  324   2HG1  VAL  41          2HG1      VAL  41  -8.827 -16.707   1.031
  325   3HG1  VAL  41          3HG1      VAL  41  -7.684 -16.497   2.362
  326   1HG2  VAL  41          1HG2      VAL  41 -10.792 -14.438   1.779
  327   2HG2  VAL  41          2HG2      VAL  41  -9.961 -13.156   0.872
  328   3HG2  VAL  41          3HG2      VAL  41 -10.151 -14.765   0.157
  329    H    GLY  42           H        GLY  42  -9.713 -11.854   3.732
  330   1HA   GLY  42          1HA       GLY  42 -11.624 -11.692   4.967
  331   2HA   GLY  42          2HA       GLY  42 -11.624 -13.439   5.204
  332    H    LYS  43           H        LYS  43  -8.590 -12.258   6.339
  333    HA   LYS  43           HA       LYS  43  -9.499 -12.961   9.008
  334   1HB   LYS  43          1HB       LYS  43  -6.820 -12.399   7.746
  335   2HB   LYS  43          2HB       LYS  43  -6.945 -12.331   9.493
  336   1HG   LYS  43          1HG       LYS  43  -6.248 -14.569   8.698
  337   2HG   LYS  43          2HG       LYS  43  -7.721 -14.602   9.671
  338   1HD   LYS  43          1HD       LYS  43  -9.124 -14.842   7.740
  339   2HD   LYS  43          2HD       LYS  43  -7.772 -14.501   6.651
  340   1HE   LYS  43          1HE       LYS  43  -6.727 -16.620   7.164
  341   2HE   LYS  43          2HE       LYS  43  -7.918 -16.965   8.429
  342   1HZ   LYS  43          1HZ       LYS  43  -9.600 -17.203   6.814
  343   2HZ   LYS  43          2HZ       LYS  43  -8.728 -16.530   5.615
  344   3HZ   LYS  43          3HZ       LYS  43  -8.339 -18.026   6.193
  345    H    GLY  44           H        GLY  44  -9.544  -9.870   7.542
  346   1HA   GLY  44          1HA       GLY  44 -10.104  -7.870   8.586
  347   2HA   GLY  44          2HA       GLY  44  -9.854  -8.601  10.166
  348    H    ALA  45           H        ALA  45  -8.806  -6.161   9.806
  349    HA   ALA  45           HA       ALA  45  -5.979  -6.257   9.100
  350   1HB   ALA  45          1HB       ALA  45  -7.160  -4.123   8.972
  351   2HB   ALA  45          2HB       ALA  45  -7.608  -4.224  10.688
  352   3HB   ALA  45          3HB       ALA  45  -5.905  -4.036  10.221
  353    H    ASP  46           H        ASP  46  -4.248  -6.182  10.640
  354    HA   ASP  46           HA       ASP  46  -4.562  -8.018  12.843
  355   1HB   ASP  46          1HB       ASP  46  -2.494  -7.838  11.519
  356   2HB   ASP  46          2HB       ASP  46  -2.237  -6.195  12.123
  357    HA   PRO  47           HA       PRO  47  -5.935  -5.050  15.913
  358   1HB   PRO  47          1HB       PRO  47  -4.228  -6.728  17.761
  359   2HB   PRO  47          2HB       PRO  47  -5.871  -6.067  18.038
  360   1HG   PRO  47          1HG       PRO  47  -5.561  -8.654  17.303
  361   2HG   PRO  47          2HG       PRO  47  -6.842  -7.658  16.537
  362   1HD   PRO  47          1HD       PRO  47  -4.130  -8.405  15.437
  363   2HD   PRO  47          2HD       PRO  47  -5.718  -8.340  14.612
  364    H    THR  48           H        THR  48  -2.440  -5.718  15.505
  365    HA   THR  48           HA       THR  48  -1.640  -3.520  17.256
  366    HB   THR  48           HB       THR  48   0.164  -4.717  15.160
  367    HG1  THR  48           1HG      THR  48  -0.773  -6.495  15.842
  368   1HG2  THR  48          1HG2      THR  48   1.821  -4.590  17.005
  369   2HG2  THR  48          2HG2      THR  48   1.062  -3.021  16.689
  370   3HG2  THR  48          3HG2      THR  48   0.559  -3.983  18.099
  371    H    ALA  49           H        ALA  49  -2.126  -4.121  13.750
  372    HA   ALA  49           HA       ALA  49  -1.158  -1.568  12.842
  373   1HB   ALA  49          1HB       ALA  49  -3.214  -3.482  11.629
  374   2HB   ALA  49          2HB       ALA  49  -2.413  -2.138  10.787
  375   3HB   ALA  49          3HB       ALA  49  -1.467  -3.531  11.350
  376    H    ILE  50           H        ILE  50  -4.406  -2.840  13.745
  377    HA   ILE  50           HA       ILE  50  -5.848  -0.429  13.325
  378    HB   ILE  50           HB       ILE  50  -6.307  -2.655  15.334
  379   1HG1  ILE  50          1HG1      ILE  50  -7.605  -2.232  12.597
  380   2HG1  ILE  50          2HG1      ILE  50  -6.285  -3.351  12.887
  381   1HG2  ILE  50          1HG2      ILE  50  -7.587  -0.620  15.972
  382   2HG2  ILE  50          2HG2      ILE  50  -8.286  -0.548  14.341
  383   3HG2  ILE  50          3HG2      ILE  50  -8.666  -1.891  15.443
  384   1HD1  ILE  50          1HD1      ILE  50  -7.728  -4.587  14.538
  385   2HD1  ILE  50          2HD1      ILE  50  -9.091  -3.556  14.035
  386   3HD1  ILE  50          3HD1      ILE  50  -8.311  -4.622  12.867
  387    H    SER  51           H        SER  51  -4.190  -1.648  16.328
  388    HA   SER  51           HA       SER  51  -5.010   0.566  17.898
  389   1HB   SER  51          1HB       SER  51  -2.601  -1.262  18.274
  390   2HB   SER  51          2HB       SER  51  -3.341  -0.224  19.512
  391    HG   SER  51           HG       SER  51  -4.427  -2.490  18.200
  392    H    VAL  52           H        VAL  52  -2.032   0.136  15.894
  393    HA   VAL  52           HA       VAL  52  -0.911   2.671  16.750
  394    HB   VAL  52           HB       VAL  52  -0.379   0.819  14.401
  395   1HG1  VAL  52          1HG1      VAL  52   1.175   3.341  15.139
  396   2HG1  VAL  52          2HG1      VAL  52   1.645   2.116  13.933
  397   3HG1  VAL  52          3HG1      VAL  52   0.217   3.108  13.661
  398   1HG2  VAL  52          1HG2      VAL  52   1.762   0.483  15.706
  399   2HG2  VAL  52          2HG2      VAL  52   1.127   1.533  16.971
  400   3HG2  VAL  52          3HG2      VAL  52   0.324  -0.010  16.608
  401    H    ALA  53           H        ALA  53  -3.058   1.689  13.974
  402    HA   ALA  53           HA       ALA  53  -3.030   4.312  12.826
  403   1HB   ALA  53          1HB       ALA  53  -5.184   2.172  12.654
  404   2HB   ALA  53          2HB       ALA  53  -4.938   3.532  11.535
  405   3HB   ALA  53          3HB       ALA  53  -3.728   2.243  11.628
  406    H    ALA  54           H        ALA  54  -5.036   2.832  15.397
  407    HA   ALA  54           HA       ALA  54  -6.888   4.968  15.645
  408   1HB   ALA  54          1HB       ALA  54  -5.869   3.007  17.753
  409   2HB   ALA  54          2HB       ALA  54  -7.336   3.998  17.871
  410   3HB   ALA  54          3HB       ALA  54  -7.229   2.726  16.638
  411    H    GLU  55           H        GLU  55  -3.585   4.506  17.074
  412    HA   GLU  55           HA       GLU  55  -3.682   6.813  18.743
  413   1HB   GLU  55          1HB       GLU  55  -1.986   4.941  18.749
  414   2HB   GLU  55          2HB       GLU  55  -1.228   5.685  17.334
  415   1HG   GLU  55          1HG       GLU  55  -0.857   7.769  18.657
  416   2HG   GLU  55          2HG       GLU  55  -1.589   6.989  20.065
  417    H    HIS  56           H        HIS  56  -3.272   6.458  15.270
  418    HA   HIS  56           HA       HIS  56  -2.765   9.363  14.922
  419   1HB   HIS  56          1HB       HIS  56  -2.744   7.072  12.925
  420   2HB   HIS  56          2HB       HIS  56  -2.376   8.759  12.560
  421    HD1  HIS  56           HD1      HIS  56  -0.126   9.753  14.061
  422    HD2  HIS  56           HD2      HIS  56  -0.704   5.610  13.632
  423    HE1  HIS  56           HE1      HIS  56   2.092   8.658  14.656
  424    H    GLN  57           H        GLN  57  -5.368   7.757  15.731
  425    HA   GLN  57           HA       GLN  57  -7.592   7.793  15.298
  426   1HB   GLN  57          1HB       GLN  57  -6.850  10.708  14.762
  427   2HB   GLN  57          2HB       GLN  57  -8.498  10.126  14.919
  428   1HG   GLN  57          1HG       GLN  57  -7.872  11.127  16.975
  429   2HG   GLN  57          2HG       GLN  57  -8.120   9.400  17.212
  430   1HE2  GLN  57          2HE2      GLN  57  -5.177  11.249  16.061
  431   2HE2  GLN  57          1HE2      GLN  57  -4.123  10.492  17.245
  432    H    LEU  58           H        LEU  58  -6.530   6.463  13.277
  433    HA   LEU  58           HA       LEU  58  -8.362   7.311  11.084
  434   1HB   LEU  58          1HB       LEU  58  -5.674   7.456  10.732
  435   2HB   LEU  58          2HB       LEU  58  -5.899   5.754  10.355
  436    HG   LEU  58           HG       LEU  58  -7.219   8.154   9.026
  437   1HD1  LEU  58          1HD1      LEU  58  -5.990   7.411   7.042
  438   2HD1  LEU  58          2HD1      LEU  58  -4.873   7.670   8.391
  439   3HD1  LEU  58          3HD1      LEU  58  -5.329   6.022   7.941
  440   1HD2  LEU  58          1HD2      LEU  58  -8.942   6.438   9.049
  441   2HD2  LEU  58          2HD2      LEU  58  -8.274   6.549   7.443
  442   3HD2  LEU  58          3HD2      LEU  58  -7.785   5.201   8.509
  443    H    SER  59           H        SER  59  -9.991   5.859  11.141
  444    HA   SER  59           HA       SER  59  -9.681   3.386  12.544
  445   1HB   SER  59          1HB       SER  59 -12.049   4.431  10.936
  446   2HB   SER  59          2HB       SER  59 -12.078   3.158  12.171
  447    HG   SER  59           HG       SER  59 -12.718   5.208  12.993
  448    H    LEU  60           H        LEU  60  -8.368   1.864  11.415
  449    HA   LEU  60           HA       LEU  60  -8.743   1.180   8.622
  450   1HB   LEU  60          1HB       LEU  60  -7.743  -0.620  10.864
  451   2HB   LEU  60          2HB       LEU  60  -7.575  -0.893   9.135
  452    HG   LEU  60           HG       LEU  60  -6.205   1.226  10.808
  453   1HD1  LEU  60          1HD1      LEU  60  -5.089  -1.093   9.174
  454   2HD1  LEU  60          2HD1      LEU  60  -4.155   0.043  10.167
  455   3HD1  LEU  60          3HD1      LEU  60  -5.290  -1.076  10.938
  456   1HD2  LEU  60          1HD2      LEU  60  -6.090   0.885   7.784
  457   2HD2  LEU  60          2HD2      LEU  60  -6.672   2.303   8.690
  458   3HD2  LEU  60          3HD2      LEU  60  -4.965   1.870   8.745
  459    H    GLU  61           H        GLU  61 -10.301   0.299  11.657
  460    HA   GLU  61           HA       GLU  61 -12.290  -0.520  12.151
  461   1HB   GLU  61          1HB       GLU  61 -13.080   0.974  10.370
  462   2HB   GLU  61          2HB       GLU  61 -13.001  -0.355   9.206
  463   1HG   GLU  61          1HG       GLU  61 -14.636  -1.643  10.545
  464   2HG   GLU  61          2HG       GLU  61 -14.682  -0.353  11.748
  465    H    GLY  62           H        GLY  62 -11.673  -2.272   9.036
  466   1HA   GLY  62          1HA       GLY  62 -11.234  -4.834  10.227
  467   2HA   GLY  62          2HA       GLY  62 -12.967  -4.600   9.924
  468    H    HIS  63           H        HIS  63  -9.983  -3.654   8.134
  469    HA   HIS  63           HA       HIS  63 -11.005  -3.959   5.548
  470   1HB   HIS  63          1HB       HIS  63  -8.975  -2.709   5.892
  471   2HB   HIS  63          2HB       HIS  63  -8.170  -4.101   6.637
  472    HD1  HIS  63           HD1      HIS  63  -9.744  -3.329   3.137
  473    HD2  HIS  63           HD2      HIS  63  -6.843  -5.687   5.073
  474    HE1  HIS  63           HE1      HIS  63  -8.651  -4.752   1.337
  475    H    CYS  64           H        CYS  64 -11.648  -5.703   4.532
  476    HA   CYS  64           HA       CYS  64 -11.019  -8.406   5.475
  477   1HB   CYS  64          1HB       CYS  64 -12.710  -7.170   3.291
  478   2HB   CYS  64          2HB       CYS  64 -12.513  -8.936   3.470
  479    HG   CYS  64           HG       CYS  64 -13.419  -6.811   5.853
  480    H    ALA  65           H        ALA  65  -8.814  -8.642   5.156
  481    HA   ALA  65           HA       ALA  65  -7.334  -7.985   2.841
  482   1HB   ALA  65          1HB       ALA  65  -6.979 -10.127   4.973
  483   2HB   ALA  65          2HB       ALA  65  -5.759  -9.753   3.745
  484   3HB   ALA  65          3HB       ALA  65  -6.237  -8.512   4.920
  485    H    ARG  66           H        ARG  66  -6.381  -9.452   1.261
  486    HA   ARG  66           HA       ARG  66  -7.860 -11.823   0.413
  487   1HB   ARG  66          1HB       ARG  66  -8.752 -10.796  -1.673
  488   2HB   ARG  66          2HB       ARG  66  -9.526 -10.153  -0.227
  489   1HG   ARG  66          1HG       ARG  66  -8.027  -8.130  -0.362
  490   2HG   ARG  66          2HG       ARG  66  -7.361  -8.769  -1.876
  491   1HD   ARG  66          1HD       ARG  66  -9.605  -8.694  -2.898
  492   2HD   ARG  66          2HD       ARG  66 -10.277  -8.047  -1.380
  493    HE   ARG  66           HE       ARG  66  -8.193  -6.351  -1.918
  494   1HH1  ARG  66          1HH2      ARG  66 -11.141  -7.204  -3.722
  495   2HH1  ARG  66          2HH2      ARG  66 -11.098  -5.775  -4.692
  496   1HH2  ARG  66          1HH1      ARG  66  -8.106  -4.569  -3.196
  497   2HH2  ARG  66          2HH1      ARG  66  -9.311  -4.245  -4.424
  498    H    GLN  67           H        GLN  67  -6.686 -12.849  -1.373
  499    HA   GLN  67           HA       GLN  67  -3.914 -11.936  -1.445
  500   1HB   GLN  67          1HB       GLN  67  -4.676 -14.419  -1.321
  501   2HB   GLN  67          2HB       GLN  67  -4.984 -14.253  -3.066
  502   1HG   GLN  67          1HG       GLN  67  -2.591 -13.442  -3.323
  503   2HG   GLN  67          2HG       GLN  67  -2.362 -13.673  -1.595
  504   1HE2  GLN  67          2HE2      GLN  67  -0.517 -14.936  -2.446
  505   2HE2  GLN  67          1HE2      GLN  67  -0.778 -16.620  -2.869
  506    H    ILE  68           H        ILE  68  -2.833 -11.142  -3.145
  507    HA   ILE  68           HA       ILE  68  -4.307  -9.739  -5.173
  508    HB   ILE  68           HB       ILE  68  -2.107  -9.057  -4.245
  509   1HG1  ILE  68          1HG1      ILE  68  -1.096  -8.242  -6.250
  510   2HG1  ILE  68          2HG1      ILE  68  -1.873  -9.467  -7.259
  511   1HG2  ILE  68          1HG2      ILE  68  -0.781 -11.171  -5.958
  512   2HG2  ILE  68          2HG2      ILE  68  -0.037 -10.032  -4.825
  513   3HG2  ILE  68          3HG2      ILE  68  -1.057 -11.355  -4.225
  514   1HD1  ILE  68          1HD1      ILE  68  -3.344  -7.292  -5.731
  515   2HD1  ILE  68          2HD1      ILE  68  -2.797  -7.141  -7.413
  516   3HD1  ILE  68          3HD1      ILE  68  -4.016  -8.359  -6.991
  517    H    SER  69           H        SER  69  -4.678 -10.340  -7.263
  518    HA   SER  69           HA       SER  69  -3.854 -12.985  -8.269
  519   1HB   SER  69          1HB       SER  69  -6.732 -12.073  -7.766
  520   2HB   SER  69          2HB       SER  69  -6.312 -13.385  -8.895
  521    HG   SER  69           HG       SER  69  -6.849 -14.138  -6.803
  522    H    ARG  70           H        ARG  70  -4.101 -13.001 -10.652
  523    HA   ARG  70           HA       ARG  70  -3.097 -10.657 -11.758
  524   1HB   ARG  70          1HB       ARG  70  -2.891 -12.964 -12.687
  525   2HB   ARG  70          2HB       ARG  70  -4.567 -12.882 -13.249
  526   1HG   ARG  70          1HG       ARG  70  -3.976 -10.986 -14.746
  527   2HG   ARG  70          2HG       ARG  70  -2.319 -11.010 -14.114
  528   1HD   ARG  70          1HD       ARG  70  -2.097 -13.374 -14.924
  529   2HD   ARG  70          2HD       ARG  70  -3.698 -13.227 -15.681
  530    HE   ARG  70           HE       ARG  70  -2.274 -11.045 -16.640
  531   1HH1  ARG  70          1HH1      ARG  70  -1.897 -14.582 -16.838
  532   2HH1  ARG  70          2HH1      ARG  70  -0.926 -14.526 -18.262
  533   1HH2  ARG  70          1HH2      ARG  70  -0.868 -10.956 -18.331
  534   2HH2  ARG  70          2HH2      ARG  70  -0.390 -12.388 -19.218
  535    H    ARG  71           H        ARG  71  -6.519 -11.725 -11.745
  536    HA   ARG  71           HA       ARG  71  -7.535  -9.674 -13.402
  537   1HB   ARG  71          1HB       ARG  71  -8.781 -11.708 -12.697
  538   2HB   ARG  71          2HB       ARG  71  -8.897 -11.069 -11.050
  539   1HG   ARG  71          1HG       ARG  71 -10.215  -9.138 -11.889
  540   2HG   ARG  71          2HG       ARG  71 -10.042  -9.738 -13.552
  541   1HD   ARG  71          1HD       ARG  71 -11.251 -11.808 -12.928
  542   2HD   ARG  71          2HD       ARG  71 -11.415 -11.212 -11.262
  543    HE   ARG  71           HE       ARG  71 -12.468  -9.252 -13.010
  544   1HH1  ARG  71          1HH2      ARG  71 -13.258 -12.541 -11.930
  545   2HH1  ARG  71          2HH2      ARG  71 -14.957 -12.362 -12.158
  546   1HH2  ARG  71          1HH1      ARG  71 -14.735  -9.010 -13.316
  547   2HH2  ARG  71          2HH1      ARG  71 -15.811 -10.307 -12.966
  548    H    LEU  72           H        LEU  72  -7.048  -9.686  -9.804
  549    HA   LEU  72           HA       LEU  72  -8.073  -6.997  -9.513
  550   1HB   LEU  72          1HB       LEU  72  -6.338  -8.750  -7.746
  551   2HB   LEU  72          2HB       LEU  72  -6.686  -7.072  -7.327
  552    HG   LEU  72           HG       LEU  72  -8.897  -9.067  -7.892
  553   1HD1  LEU  72          1HD1      LEU  72  -7.663  -8.337  -5.190
  554   2HD1  LEU  72          2HD1      LEU  72  -9.110  -9.340  -5.436
  555   3HD1  LEU  72          3HD1      LEU  72  -7.537  -9.914  -6.002
  556   1HD2  LEU  72          1HD2      LEU  72  -9.566  -6.677  -7.978
  557   2HD2  LEU  72          2HD2      LEU  72 -10.299  -7.524  -6.619
  558   3HD2  LEU  72          3HD2      LEU  72  -8.913  -6.453  -6.337
  559    H    CYS  73           H        CYS  73  -4.785  -8.360 -10.010
  560    HA   CYS  73           HA       CYS  73  -3.369  -5.988  -9.593
  561   1HB   CYS  73          1HB       CYS  73  -2.481  -8.372  -9.980
  562   2HB   CYS  73          2HB       CYS  73  -2.653  -8.054 -11.720
  563    HG   CYS  73           HG       CYS  73  -0.144  -7.805 -10.981
  564    H    ARG  74           H        ARG  74  -5.047  -7.079 -12.602
  565    HA   ARG  74           HA       ARG  74  -4.330  -4.502 -13.863
  566   1HB   ARG  74          1HB       ARG  74  -5.019  -5.458 -15.922
  567   2HB   ARG  74          2HB       ARG  74  -4.018  -6.621 -15.061
  568   1HG   ARG  74          1HG       ARG  74  -6.309  -7.640 -14.251
  569   2HG   ARG  74          2HG       ARG  74  -7.012  -6.691 -15.572
  570   1HD   ARG  74          1HD       ARG  74  -5.379  -7.809 -17.139
  571   2HD   ARG  74          2HD       ARG  74  -4.786  -8.758 -15.758
  572    HE   ARG  74           HE       ARG  74  -7.647  -9.001 -16.151
  573   1HH1  ARG  74          1HH2      ARG  74  -4.496 -10.196 -17.314
  574   2HH1  ARG  74          2HH2      ARG  74  -5.139 -11.705 -17.884
  575   1HH2  ARG  74          1HH1      ARG  74  -8.474 -11.034 -16.866
  576   2HH2  ARG  74          2HH1      ARG  74  -7.436 -12.193 -17.601
  577    H    ASN  75           H        ASN  75  -6.862  -5.474 -11.866
  578    HA   ASN  75           HA       ASN  75  -9.078  -4.253 -13.178
  579   1HB   ASN  75          1HB       ASN  75  -9.384  -5.882 -11.375
  580   2HB   ASN  75          2HB       ASN  75  -8.567  -4.810 -10.231
  581   1HD2  ASN  75          2HD2      ASN  75  -9.866  -3.401  -9.053
  582   2HD2  ASN  75          1HD2      ASN  75 -11.536  -3.070  -9.440
  583    H    TYR  76           H        TYR  76  -6.399  -2.875 -11.380
  584    HA   TYR  76           HA       TYR  76  -7.826  -0.259 -11.198
  585   1HB   TYR  76          1HB       TYR  76  -5.572  -1.237  -9.428
  586   2HB   TYR  76          2HB       TYR  76  -6.437   0.282  -9.294
  587    HD1  TYR  76           HD1      TYR  76  -6.743  -3.418  -8.923
  588    HD2  TYR  76           HD2      TYR  76  -8.508   0.407  -8.026
  589    HE1  TYR  76           HE1      TYR  76  -8.228  -4.504  -7.304
  590    HE2  TYR  76           HE2      TYR  76 -10.038  -0.677  -6.415
  591    HH   TYR  76           HH       TYR  76 -10.719  -2.667  -5.446
  592    H    ASP  77           H        ASP  77  -6.363   1.631 -11.667
  593    HA   ASP  77           HA       ASP  77  -4.887   0.856 -14.063
  594   1HB   ASP  77          1HB       ASP  77  -6.563   2.703 -14.001
  595   2HB   ASP  77          2HB       ASP  77  -5.439   3.635 -13.000
  596    H    LEU  78           H        LEU  78  -3.899   1.619 -10.836
  597    HA   LEU  78           HA       LEU  78  -1.075   1.771 -11.690
  598   1HB   LEU  78          1HB       LEU  78  -2.080   4.078 -11.711
  599   2HB   LEU  78          2HB       LEU  78  -2.474   3.913 -10.028
  600    HG   LEU  78           HG       LEU  78  -0.545   5.321 -10.417
  601   1HD1  LEU  78          1HD1      LEU  78   1.014   4.524  -8.842
  602   2HD1  LEU  78          2HD1      LEU  78  -0.568   3.939  -8.313
  603   3HD1  LEU  78          3HD1      LEU  78   0.584   2.834  -9.103
  604   1HD2  LEU  78          1HD2      LEU  78   0.969   2.932 -11.523
  605   2HD2  LEU  78          2HD2      LEU  78   0.206   4.182 -12.525
  606   3HD2  LEU  78          3HD2      LEU  78   1.497   4.625 -11.407
  607    H    ILE  79           H        ILE  79   0.139   0.608 -10.217
  608    HA   ILE  79           HA       ILE  79  -1.342  -0.411  -7.826
  609    HB   ILE  79           HB       ILE  79   0.622  -1.914  -9.570
  610   1HG1  ILE  79          1HG1      ILE  79  -1.317  -1.520 -10.956
  611   2HG1  ILE  79          2HG1      ILE  79  -1.196  -3.209 -10.519
  612   1HG2  ILE  79          1HG2      ILE  79   0.543  -2.790  -7.299
  613   2HG2  ILE  79          2HG2      ILE  79  -1.227  -2.861  -7.346
  614   3HG2  ILE  79          3HG2      ILE  79  -0.261  -3.928  -8.387
  615   1HD1  ILE  79          1HD1      ILE  79  -3.529  -2.253 -10.465
  616   2HD1  ILE  79          2HD1      ILE  79  -3.028  -3.033  -8.956
  617   3HD1  ILE  79          3HD1      ILE  79  -3.058  -1.256  -9.094
  618    H    LEU  80           H        LEU  80  -0.173  -0.476  -5.935
  619    HA   LEU  80           HA       LEU  80   2.600   0.640  -6.027
  620   1HB   LEU  80          1HB       LEU  80   0.318   1.382  -4.153
  621   2HB   LEU  80          2HB       LEU  80   2.002   1.846  -3.903
  622    HG   LEU  80           HG       LEU  80   0.324   2.639  -6.322
  623   1HD1  LEU  80          1HD1      LEU  80  -0.394   3.707  -4.163
  624   2HD1  LEU  80          2HD1      LEU  80   1.226   4.423  -4.047
  625   3HD1  LEU  80          3HD1      LEU  80   0.174   4.839  -5.404
  626   1HD2  LEU  80          1HD2      LEU  80   2.654   2.584  -6.972
  627   2HD2  LEU  80          2HD2      LEU  80   2.159   4.253  -6.752
  628   3HD2  LEU  80          3HD2      LEU  80   3.134   3.451  -5.497
  629    H    THR  81           H        THR  81   4.038  -0.296  -4.649
  630    HA   THR  81           HA       THR  81   3.036  -2.178  -2.651
  631    HB   THR  81           HB       THR  81   3.118  -3.462  -4.777
  632    HG1  THR  81           1HG      THR  81   3.427  -4.415  -2.774
  633   1HG2  THR  81          1HG2      THR  81   6.131  -3.031  -4.655
  634   2HG2  THR  81          2HG2      THR  81   5.244  -4.091  -5.774
  635   3HG2  THR  81          3HG2      THR  81   5.036  -2.335  -5.874
  636    H    MET  82           H        MET  82   5.129  -3.146  -1.444
  637    HA   MET  82           HA       MET  82   6.414  -0.612  -0.616
  638   1HB   MET  82          1HB       MET  82   6.031  -3.287   0.794
  639   2HB   MET  82          2HB       MET  82   6.631  -1.798   1.512
  640   1HG   MET  82          1HG       MET  82   3.847  -2.303   0.444
  641   2HG   MET  82          2HG       MET  82   4.309  -2.115   2.130
  642   1HE   MET  82          1HE       MET  82   2.018   0.972   0.920
  643   2HE   MET  82          2HE       MET  82   2.009  -0.707   0.338
  644   3HE   MET  82          3HE       MET  82   2.089  -0.376   2.083
  645    H    GLU  83           H        GLU  83   7.282  -3.530  -2.240
  646    HA   GLU  83           HA       GLU  83  10.164  -3.153  -1.544
  647   1HB   GLU  83          1HB       GLU  83   8.435  -5.655  -1.300
  648   2HB   GLU  83          2HB       GLU  83  10.187  -5.695  -1.361
  649   1HG   GLU  83          1HG       GLU  83  10.337  -4.353   0.695
  650   2HG   GLU  83          2HG       GLU  83   8.576  -4.200   0.751
  651    H    LYS  84           H        LYS  84  11.589  -3.863  -3.175
  652    HA   LYS  84           HA       LYS  84  10.537  -3.726  -5.861
  653   1HB   LYS  84          1HB       LYS  84  13.282  -4.396  -4.713
  654   2HB   LYS  84          2HB       LYS  84  12.944  -4.359  -6.450
  655   1HG   LYS  84          1HG       LYS  84  12.231  -2.022  -6.325
  656   2HG   LYS  84          2HG       LYS  84  12.500  -1.992  -4.573
  657   1HD   LYS  84          1HD       LYS  84  14.874  -2.344  -4.842
  658   2HD   LYS  84          2HD       LYS  84  14.717  -2.626  -6.578
  659   1HE   LYS  84          1HE       LYS  84  13.990   0.007  -5.208
  660   2HE   LYS  84          2HE       LYS  84  15.578  -0.335  -5.899
  661   1HZ   LYS  84          1HZ       LYS  84  13.056  -0.302  -7.451
  662   2HZ   LYS  84          2HZ       LYS  84  14.202   0.864  -7.474
  663   3HZ   LYS  84          3HZ       LYS  84  14.543  -0.620  -8.059
  664    H    ARG  85           H        ARG  85  11.525  -6.480  -3.767
  665    HA   ARG  85           HA       ARG  85  11.214  -8.438  -5.833
  666   1HB   ARG  85          1HB       ARG  85  11.153 -10.091  -4.068
  667   2HB   ARG  85          2HB       ARG  85  12.431  -8.916  -3.825
  668   1HG   ARG  85          1HG       ARG  85  10.658  -7.752  -2.209
  669   2HG   ARG  85          2HG       ARG  85   9.875  -9.324  -2.250
  670   1HD   ARG  85          1HD       ARG  85  11.351  -9.172  -0.298
  671   2HD   ARG  85          2HD       ARG  85  11.954 -10.394  -1.417
  672    HE   ARG  85           HE       ARG  85  13.873  -9.192  -1.710
  673   1HH1  ARG  85          1HH2      ARG  85  11.580  -7.012  -0.024
  674   2HH1  ARG  85          2HH2      ARG  85  12.432  -5.591  -0.603
  675   1HH2  ARG  85          1HH1      ARG  85  15.159  -7.239  -1.994
  676   2HH2  ARG  85          2HH1      ARG  85  14.538  -5.719  -1.398
  677    H    HIS  86           H        HIS  86   8.769  -6.693  -3.918
  678    HA   HIS  86           HA       HIS  86   6.640  -8.538  -4.683
  679   1HB   HIS  86          1HB       HIS  86   6.455  -5.645  -3.775
  680   2HB   HIS  86          2HB       HIS  86   5.121  -6.760  -3.983
  681    HD1  HIS  86           HD1      HIS  86   7.496  -8.861  -2.208
  682    HD2  HIS  86           HD2      HIS  86   5.032  -5.581  -1.291
  683    HE1  HIS  86           HE1      HIS  86   7.217  -8.847   0.321
  684    H    ILE  87           H        ILE  87   8.007  -5.417  -5.962
  685    HA   ILE  87           HA       ILE  87   6.179  -5.113  -8.098
  686    HB   ILE  87           HB       ILE  87   9.156  -4.438  -8.136
  687   1HG1  ILE  87          1HG1      ILE  87   6.818  -2.643  -7.375
  688   2HG1  ILE  87          2HG1      ILE  87   7.937  -3.375  -6.226
  689   1HG2  ILE  87          1HG2      ILE  87   8.571  -2.805  -9.888
  690   2HG2  ILE  87          2HG2      ILE  87   8.136  -4.422 -10.395
  691   3HG2  ILE  87          3HG2      ILE  87   6.872  -3.316  -9.819
  692   1HD1  ILE  87          1HD1      ILE  87   9.821  -2.145  -7.401
  693   2HD1  ILE  87          2HD1      ILE  87   8.558  -1.228  -8.262
  694   3HD1  ILE  87          3HD1      ILE  87   8.651  -1.168  -6.497
  695    H    GLU  88           H        GLU  88   9.272  -6.976  -7.924
  696    HA   GLU  88           HA       GLU  88   9.225  -7.874 -10.588
  697   1HB   GLU  88          1HB       GLU  88  11.160  -7.989  -9.044
  698   2HB   GLU  88          2HB       GLU  88  10.362  -9.275  -8.128
  699   1HG   GLU  88          1HG       GLU  88  10.388 -10.736 -10.123
  700   2HG   GLU  88          2HG       GLU  88  11.091  -9.434 -11.086
  701    H    ARG  89           H        ARG  89   7.835  -9.455  -7.637
  702    HA   ARG  89           HA       ARG  89   6.854 -11.751  -9.025
  703   1HB   ARG  89          1HB       ARG  89   5.974 -10.391  -6.450
  704   2HB   ARG  89          2HB       ARG  89   5.208 -11.852  -7.059
  705   1HG   ARG  89          1HG       ARG  89   8.142 -11.555  -6.323
  706   2HG   ARG  89          2HG       ARG  89   6.908 -12.394  -5.379
  707   1HD   ARG  89          1HD       ARG  89   8.132 -13.180  -8.037
  708   2HD   ARG  89          2HD       ARG  89   8.252 -14.033  -6.504
  709    HE   ARG  89           HE       ARG  89   5.685 -14.280  -6.730
  710   1HH1  ARG  89          1HH2      ARG  89   7.985 -14.550  -9.422
  711   2HH1  ARG  89          2HH2      ARG  89   6.931 -15.488 -10.410
  712   1HH2  ARG  89          1HH1      ARG  89   4.276 -15.513  -8.053
  713   2HH2  ARG  89          2HH1      ARG  89   4.783 -16.058  -9.605
  714    H    LEU  90           H        LEU  90   5.327  -8.559  -8.392
  715    HA   LEU  90           HA       LEU  90   2.809  -9.362  -9.509
  716   1HB   LEU  90          1HB       LEU  90   4.085  -6.649  -9.027
  717   2HB   LEU  90          2HB       LEU  90   2.436  -6.834  -9.637
  718    HG   LEU  90           HG       LEU  90   3.325  -8.120  -7.025
  719   1HD1  LEU  90          1HD1      LEU  90   2.315  -6.239  -5.852
  720   2HD1  LEU  90          2HD1      LEU  90   3.654  -5.690  -6.847
  721   3HD1  LEU  90          3HD1      LEU  90   1.981  -5.413  -7.394
  722   1HD2  LEU  90          1HD2      LEU  90   1.030  -8.314  -6.537
  723   2HD2  LEU  90          2HD2      LEU  90   0.546  -7.406  -7.997
  724   3HD2  LEU  90          3HD2      LEU  90   1.261  -9.029  -8.116
  725    H    CYS  91           H        CYS  91   5.731  -7.884 -10.987
  726    HA   CYS  91           HA       CYS  91   4.503  -7.461 -13.552
  727   1HB   CYS  91          1HB       CYS  91   7.418  -7.948 -12.785
  728   2HB   CYS  91          2HB       CYS  91   6.852  -7.433 -14.383
  729    HG   CYS  91           HG       CYS  91   6.489  -5.948 -11.453
  730    H    GLU  92           H        GLU  92   6.190 -10.308 -12.080
  731    HA   GLU  92           HA       GLU  92   6.031 -11.897 -14.449
  732   1HB   GLU  92          1HB       GLU  92   6.299 -12.585 -11.497
  733   2HB   GLU  92          2HB       GLU  92   6.265 -13.819 -12.749
  734   1HG   GLU  92          1HG       GLU  92   8.296 -11.547 -12.657
  735   2HG   GLU  92          2HG       GLU  92   8.563 -13.158 -12.006
  736    H    MET  93           H        MET  93   3.758 -11.449 -11.685
  737    HA   MET  93           HA       MET  93   1.894 -13.449 -12.569
  738   1HB   MET  93          1HB       MET  93   1.615 -11.015 -10.758
  739   2HB   MET  93          2HB       MET  93   0.292 -12.137 -11.087
  740   1HG   MET  93          1HG       MET  93   1.573 -14.011 -10.181
  741   2HG   MET  93          2HG       MET  93   2.968 -12.974  -9.918
  742   1HE   MET  93          1HE       MET  93  -0.953 -12.946  -7.449
  743   2HE   MET  93          2HE       MET  93  -0.951 -12.282  -9.096
  744   3HE   MET  93          3HE       MET  93  -0.592 -14.005  -8.824
  745    H    ALA  94           H        ALA  94   2.206  -9.943 -13.277
  746    HA   ALA  94           HA       ALA  94   0.122 -10.233 -15.391
  747   1HB   ALA  94          1HB       ALA  94  -0.919  -8.149 -14.628
  748   2HB   ALA  94          2HB       ALA  94  -0.964  -9.362 -13.332
  749   3HB   ALA  94          3HB       ALA  94   0.221  -8.045 -13.271
  750    HA   PRO  95           HA       PRO  95   3.980  -8.199 -17.059
  751   1HB   PRO  95          1HB       PRO  95   2.693  -9.485 -19.472
  752   2HB   PRO  95          2HB       PRO  95   4.434  -9.284 -19.094
  753   1HG   PRO  95          1HG       PRO  95   3.215 -11.674 -18.685
  754   2HG   PRO  95          2HG       PRO  95   4.354 -11.027 -17.460
  755   1HD   PRO  95          1HD       PRO  95   1.333 -10.966 -17.428
  756   2HD   PRO  95          2HD       PRO  95   2.474 -11.328 -16.101
  757    H    GLU  96           H        GLU  96   0.526  -8.225 -18.049
  758    HA   GLU  96           HA       GLU  96   0.565  -5.902 -19.658
  759   1HB   GLU  96          1HB       GLU  96  -1.845  -5.832 -19.247
  760   2HB   GLU  96          2HB       GLU  96  -1.302  -7.436 -19.692
  761   1HG   GLU  96          1HG       GLU  96  -1.594  -6.792 -16.751
  762   2HG   GLU  96          2HG       GLU  96  -3.045  -6.985 -17.720
  763    H    MET  97           H        MET  97   1.061  -6.121 -16.242
  764    HA   MET  97           HA       MET  97   0.571  -3.195 -15.917
  765   1HB   MET  97          1HB       MET  97   0.540  -5.404 -13.820
  766   2HB   MET  97          2HB       MET  97   0.359  -3.682 -13.493
  767   1HG   MET  97          1HG       MET  97  -1.539  -5.406 -15.108
  768   2HG   MET  97          2HG       MET  97  -1.799  -4.812 -13.485
  769   1HE   MET  97          1HE       MET  97  -1.108  -1.828 -13.365
  770   2HE   MET  97          2HE       MET  97  -2.596  -1.045 -13.940
  771   3HE   MET  97          3HE       MET  97  -2.694  -2.450 -12.867
  772    H    ARG  98           H        ARG  98   3.064  -5.112 -16.746
  773    HA   ARG  98           HA       ARG  98   5.076  -4.581 -14.808
  774   1HB   ARG  98          1HB       ARG  98   5.308  -6.184 -16.670
  775   2HB   ARG  98          2HB       ARG  98   5.282  -4.856 -17.839
  776   1HG   ARG  98          1HG       ARG  98   7.414  -3.988 -16.930
  777   2HG   ARG  98          2HG       ARG  98   7.387  -5.217 -15.658
  778   1HD   ARG  98          1HD       ARG  98   8.911  -5.931 -17.392
  779   2HD   ARG  98          2HD       ARG  98   7.500  -7.004 -17.375
  780    HE   ARG  98           HE       ARG  98   7.242  -4.792 -19.248
  781   1HH1  ARG  98          1HH2      ARG  98   8.657  -8.027 -18.882
  782   2HH1  ARG  98          2HH2      ARG  98   8.666  -8.371 -20.570
  783   1HH2  ARG  98          1HH1      ARG  98   7.241  -5.253 -21.500
  784   2HH2  ARG  98          2HH1      ARG  98   7.849  -6.751 -22.090
  785    H    GLY  99           H        GLY  99   6.010  -2.694 -14.200
  786   1HA   GLY  99          1HA       GLY  99   6.839  -0.539 -14.345
  787   2HA   GLY  99          2HA       GLY  99   6.190  -0.378 -15.981
  788    H    LYS 100           H        LYS 100   3.421  -1.326 -14.873
  789    HA   LYS 100           HA       LYS 100   2.498   1.294 -13.867
  790   1HB   LYS 100          1HB       LYS 100   0.926  -1.258 -14.422
  791   2HB   LYS 100          2HB       LYS 100   0.264   0.326 -14.006
  792   1HG   LYS 100          1HG       LYS 100   1.342   1.268 -16.096
  793   2HG   LYS 100          2HG       LYS 100   1.853  -0.369 -16.521
  794   1HD   LYS 100          1HD       LYS 100  -0.102   0.126 -17.783
  795   2HD   LYS 100          2HD       LYS 100  -0.542  -1.082 -16.566
  796   1HE   LYS 100          1HE       LYS 100  -1.525   0.688 -15.145
  797   2HE   LYS 100          2HE       LYS 100  -0.994   1.930 -16.278
  798   1HZ   LYS 100          1HZ       LYS 100  -2.507   1.000 -17.919
  799   2HZ   LYS 100          2HZ       LYS 100  -3.001  -0.163 -16.876
  800   3HZ   LYS 100          3HZ       LYS 100  -3.320   1.418 -16.561
  801    H    VAL 101           H        VAL 101   3.742  -1.625 -12.592
  802    HA   VAL 101           HA       VAL 101   2.584  -1.140  -9.907
  803    HB   VAL 101           HB       VAL 101   4.594  -3.224 -10.870
  804   1HG1  VAL 101          1HG1      VAL 101   2.999  -3.046  -8.268
  805   2HG1  VAL 101          2HG1      VAL 101   4.104  -4.356  -8.742
  806   3HG1  VAL 101          3HG1      VAL 101   4.739  -2.741  -8.442
  807   1HG2  VAL 101          1HG2      VAL 101   1.663  -3.769 -10.239
  808   2HG2  VAL 101          2HG2      VAL 101   2.299  -3.597 -11.882
  809   3HG2  VAL 101          3HG2      VAL 101   2.885  -4.892 -10.854
  810    H    MET 102           H        MET 102   3.813   0.113  -8.429
  811    HA   MET 102           HA       MET 102   6.698   0.535  -9.008
  812   1HB   MET 102          1HB       MET 102   4.584   2.726  -8.912
  813   2HB   MET 102          2HB       MET 102   6.285   3.044  -8.545
  814   1HG   MET 102          1HG       MET 102   6.931   2.041 -10.730
  815   2HG   MET 102          2HG       MET 102   5.225   1.921 -11.156
  816   1HE   MET 102          1HE       MET 102   3.740   4.381 -10.450
  817   2HE   MET 102          2HE       MET 102   4.077   5.505 -11.787
  818   3HE   MET 102          3HE       MET 102   3.812   3.779 -12.122
  819    H    LEU 103           H        LEU 103   7.860   1.570  -7.263
  820    HA   LEU 103           HA       LEU 103   7.158   0.348  -4.769
  821   1HB   LEU 103          1HB       LEU 103   9.523   0.813  -5.824
  822   2HB   LEU 103          2HB       LEU 103   9.320   2.443  -5.218
  823    HG   LEU 103           HG       LEU 103   8.992   1.420  -2.886
  824   1HD1  LEU 103          1HD1      LEU 103   8.463  -0.907  -3.543
  825   2HD1  LEU 103          2HD1      LEU 103  10.051  -1.062  -4.323
  826   3HD1  LEU 103          3HD1      LEU 103   9.937  -0.854  -2.566
  827   1HD2  LEU 103          1HD2      LEU 103  11.634   0.990  -4.348
  828   2HD2  LEU 103          2HD2      LEU 103  11.083   2.482  -3.548
  829   3HD2  LEU 103          3HD2      LEU 103  11.432   1.043  -2.586
  830    H    PHE 104           H        PHE 104   6.210   1.255  -2.960
  831    HA   PHE 104           HA       PHE 104   4.977   3.784  -3.136
  832   1HB   PHE 104          1HB       PHE 104   4.435   1.682  -1.685
  833   2HB   PHE 104          2HB       PHE 104   5.582   2.344  -0.527
  834    HD1  PHE 104           HD1      PHE 104   4.219   3.057   1.309
  835    HD2  PHE 104           HD2      PHE 104   2.961   3.961  -2.717
  836    HE1  PHE 104           HE1      PHE 104   2.278   4.342   2.184
  837    HE2  PHE 104           HE2      PHE 104   1.100   5.287  -1.849
  838    HZ   PHE 104           HZ       PHE 104   0.680   5.415   0.591
  839    H    GLY 105           H        GLY 105   8.044   2.776  -1.630
  840   1HA   GLY 105          1HA       GLY 105   8.634   5.486  -0.686
  841   2HA   GLY 105          2HA       GLY 105   9.633   4.044  -0.509
  842    H    HIS 106           H        HIS 106   8.455   4.768  -3.777
  843    HA   HIS 106           HA       HIS 106  11.016   4.820  -4.928
  844   1HB   HIS 106          1HB       HIS 106   8.888   4.458  -6.133
  845   2HB   HIS 106          2HB       HIS 106   8.497   6.165  -5.960
  846    HD1  HIS 106           HD1      HIS 106  11.838   6.760  -6.806
  847    HD2  HIS 106           HD2      HIS 106   8.673   4.837  -8.817
  848    HE1  HIS 106           HE1      HIS 106  12.420   6.817  -9.286
  849    H    TRP 107           H        TRP 107   8.947   7.560  -3.877
  850    HA   TRP 107           HA       TRP 107  10.651   9.632  -4.767
  851   1HB   TRP 107          1HB       TRP 107   8.836   9.773  -2.347
  852   2HB   TRP 107          2HB       TRP 107   9.219  11.053  -3.492
  853    HD1  TRP 107           HD1      TRP 107   6.792   8.274  -2.809
  854    HE1  TRP 107           HE1      TRP 107   5.048   8.073  -4.642
  855    HE3  TRP 107           HE3      TRP 107   8.869  11.458  -6.258
  856    HZ2  TRP 107           HZ2      TRP 107   4.557   9.185  -7.274
  857    HZ3  TRP 107           HZ3      TRP 107   7.720  11.872  -8.419
  858    HH2  TRP 107           HH2      TRP 107   5.544  10.757  -8.917
  859    H    ASP 108           H        ASP 108  10.801   7.595  -1.909
  860    HA   ASP 108           HA       ASP 108  12.680   9.406  -0.485
  861   1HB   ASP 108          1HB       ASP 108  10.767   8.311   0.722
  862   2HB   ASP 108          2HB       ASP 108  11.462   6.732   0.341
  863    H    ASN 109           H        ASN 109  13.722   8.864  -2.793
  864    HA   ASN 109           HA       ASN 109  15.447   7.914  -3.920
  865   1HB   ASN 109          1HB       ASN 109  16.591   9.083  -2.099
  866   2HB   ASN 109          2HB       ASN 109  16.487   7.642  -1.088
  867   1HD2  ASN 109          2HD2      ASN 109  18.624   7.251  -0.820
  868   2HD2  ASN 109          1HD2      ASN 109  19.745   6.859  -2.108
  869    H    GLU 110           H        GLU 110  13.387   6.218  -3.843
  870    HA   GLU 110           HA       GLU 110  12.671   4.090  -3.912
  871   1HB   GLU 110          1HB       GLU 110  15.481   3.701  -4.989
  872   2HB   GLU 110          2HB       GLU 110  14.165   2.530  -5.149
  873   1HG   GLU 110          1HG       GLU 110  12.803   4.155  -6.380
  874   2HG   GLU 110          2HG       GLU 110  14.078   5.371  -6.239
  875    H    CYS 111           H        CYS 111  13.413   4.751  -1.280
  876    HA   CYS 111           HA       CYS 111  14.803   2.525  -0.075
  877   1HB   CYS 111          1HB       CYS 111  14.474   4.795   0.988
  878   2HB   CYS 111          2HB       CYS 111  12.760   4.389   1.210
  879    HG   CYS 111           HG       CYS 111  13.241   2.161   2.594
  880    H    GLU 112           H        GLU 112  14.013   0.478   0.185
  881    HA   GLU 112           HA       GLU 112  11.212  -0.195  -0.304
  882   1HB   GLU 112          1HB       GLU 112  13.460  -1.832   0.966
  883   2HB   GLU 112          2HB       GLU 112  11.892  -2.431   0.417
  884   1HG   GLU 112          1HG       GLU 112  12.535  -1.615  -1.925
  885   2HG   GLU 112          2HG       GLU 112  14.176  -1.378  -1.302
  886    H    ILE 113           H        ILE 113   9.944  -1.309   1.456
  887    HA   ILE 113           HA       ILE 113  10.412   0.002   4.111
  888    HB   ILE 113           HB       ILE 113   7.816  -0.579   2.673
  889   1HG1  ILE 113          1HG1      ILE 113   9.268   2.057   3.092
  890   2HG1  ILE 113          2HG1      ILE 113   8.984   1.237   1.561
  891   1HG2  ILE 113          1HG2      ILE 113   7.602  -0.715   5.164
  892   2HG2  ILE 113          2HG2      ILE 113   8.163   0.960   5.261
  893   3HG2  ILE 113          3HG2      ILE 113   6.643   0.567   4.443
  894   1HD1  ILE 113          1HD1      ILE 113   6.906   2.603   3.275
  895   2HD1  ILE 113          2HD1      ILE 113   7.441   2.995   1.632
  896   3HD1  ILE 113          3HD1      ILE 113   6.508   1.517   1.916
  897    HA   PRO 114           HA       PRO 114  10.407  -4.328   5.375
  898   1HB   PRO 114          1HB       PRO 114  10.383  -4.071   8.094
  899   2HB   PRO 114          2HB       PRO 114  11.804  -3.623   7.101
  900   1HG   PRO 114          1HG       PRO 114   9.641  -1.801   8.191
  901   2HG   PRO 114          2HG       PRO 114  11.417  -1.573   8.260
  902   1HD   PRO 114          1HD       PRO 114   9.843  -0.392   6.342
  903   2HD   PRO 114          2HD       PRO 114  11.515  -0.923   6.003
  904    H    ASP 115           H        ASP 115   8.953  -5.906   6.511
  905    HA   ASP 115           HA       ASP 115   6.142  -4.946   6.545
  906   1HB   ASP 115          1HB       ASP 115   6.890  -6.967   5.102
  907   2HB   ASP 115          2HB       ASP 115   6.965  -7.854   6.615
  908    HA   PRO 116           HA       PRO 116   6.695  -5.282  10.968
  909   1HB   PRO 116          1HB       PRO 116   4.228  -4.602  11.873
  910   2HB   PRO 116          2HB       PRO 116   5.320  -3.416  11.106
  911   1HG   PRO 116          1HG       PRO 116   3.044  -4.962   9.832
  912   2HG   PRO 116          2HG       PRO 116   3.381  -3.205   9.716
  913   1HD   PRO 116          1HD       PRO 116   4.167  -5.009   7.800
  914   2HD   PRO 116          2HD       PRO 116   5.156  -3.571   8.189
  915    H    TYR 117           H        TYR 117   4.476  -7.287   9.121
  916    HA   TYR 117           HA       TYR 117   3.086  -8.939   9.623
  917   1HB   TYR 117          1HB       TYR 117   5.197  -9.880   8.888
  918   2HB   TYR 117          2HB       TYR 117   5.755 -10.018  10.549
  919    HD1  TYR 117           HD1      TYR 117   5.867 -12.300  11.134
  920    HD2  TYR 117           HD2      TYR 117   2.513 -10.912   8.796
  921    HE1  TYR 117           HE1      TYR 117   4.842 -14.546  11.277
  922    HE2  TYR 117           HE2      TYR 117   1.479 -13.150   8.939
  923    HH   TYR 117           HH       TYR 117   1.675 -15.325   9.760
  924    H    ARG 118           H        ARG 118   5.051  -9.718  12.560
  925    HA   ARG 118           HA       ARG 118   2.725  -8.994  14.246
  926   1HB   ARG 118          1HB       ARG 118   2.659 -11.133  15.363
  927   2HB   ARG 118          2HB       ARG 118   2.382 -11.347  13.639
  928   1HG   ARG 118          1HG       ARG 118   4.804 -12.044  13.389
  929   2HG   ARG 118          2HG       ARG 118   4.969 -11.971  15.143
  930   1HD   ARG 118          1HD       ARG 118   3.010 -13.735  13.610
  931   2HD   ARG 118          2HD       ARG 118   4.542 -14.278  14.283
  932    HE   ARG 118           HE       ARG 118   2.039 -13.762  15.688
  933   1HH1  ARG 118          1HH2      ARG 118   5.539 -14.199  16.118
  934   2HH1  ARG 118          2HH2      ARG 118   5.426 -14.598  17.791
  935   1HH2  ARG 118          1HH1      ARG 118   1.889 -14.289  17.915
  936   2HH2  ARG 118          2HH1      ARG 118   3.301 -14.656  18.830
  937    H    LYS 119           H        LYS 119   5.435  -7.885  13.746
  938    HA   LYS 119           HA       LYS 119   7.126  -8.461  16.032
  939   1HB   LYS 119          1HB       LYS 119   7.070  -6.147  14.037
  940   2HB   LYS 119          2HB       LYS 119   8.367  -6.450  15.195
  941   1HG   LYS 119          1HG       LYS 119   8.908  -8.592  14.140
  942   2HG   LYS 119          2HG       LYS 119   7.574  -8.409  12.994
  943   1HD   LYS 119          1HD       LYS 119   8.644  -6.308  12.120
  944   2HD   LYS 119          2HD       LYS 119   9.984  -6.571  13.244
  945   1HE   LYS 119          1HE       LYS 119  10.742  -7.349  11.148
  946   2HE   LYS 119          2HE       LYS 119  10.430  -8.783  12.125
  947   1HZ   LYS 119          1HZ       LYS 119   8.626  -7.698  10.015
  948   2HZ   LYS 119          2HZ       LYS 119   9.586  -9.008   9.873
  949   3HZ   LYS 119          3HZ       LYS 119   8.333  -9.049  10.911
  950    H    SER 120           H        SER 120   7.850  -6.313  17.298
  951    HA   SER 120           HA       SER 120   5.808  -5.765  19.137
  952   1HB   SER 120          1HB       SER 120   8.293  -4.088  18.598
  953   2HB   SER 120          2HB       SER 120   7.424  -4.258  20.135
  954    HG   SER 120           HG       SER 120   9.298  -5.577  20.047
  955    H    ARG 121           H        ARG 121   4.727  -3.760  19.694
  956    HA   ARG 121           HA       ARG 121   3.441  -2.513  17.520
  957   1HB   ARG 121          1HB       ARG 121   2.581  -2.734  19.872
  958   2HB   ARG 121          2HB       ARG 121   3.694  -1.448  20.369
  959   1HG   ARG 121          1HG       ARG 121   2.552   0.126  18.813
  960   2HG   ARG 121          2HG       ARG 121   1.484  -1.186  18.281
  961   1HD   ARG 121          1HD       ARG 121   0.599  -1.405  20.579
  962   2HD   ARG 121          2HD       ARG 121   1.653  -0.102  21.127
  963    HE   ARG 121           HE       ARG 121  -0.820   0.090  19.583
  964   1HH1  ARG 121          1HH2      ARG 121   2.090   1.904  20.636
  965   2HH1  ARG 121          2HH2      ARG 121   1.312   3.450  20.342
  966   1HH2  ARG 121          1HH1      ARG 121  -1.720   2.298  19.191
  967   2HH2  ARG 121          2HH1      ARG 121  -0.676   3.632  19.626
  968    H    GLU 122           H        GLU 122   6.397  -1.520  19.258
  969    HA   GLU 122           HA       GLU 122   6.579   1.103  18.213
  970   1HB   GLU 122          1HB       GLU 122   7.947   0.163  20.061
  971   2HB   GLU 122          2HB       GLU 122   8.810  -0.860  18.903
  972   1HG   GLU 122          1HG       GLU 122   9.681   1.146  17.753
  973   2HG   GLU 122          2HG       GLU 122   8.730   2.191  18.814
  974    H    THR 123           H        THR 123   7.395  -2.079  16.751
  975    HA   THR 123           HA       THR 123   8.731  -0.911  14.464
  976    HB   THR 123           HB       THR 123   7.462  -3.670  14.649
  977    HG1  THR 123           1HG      THR 123   9.422  -4.328  15.577
  978   1HG2  THR 123          1HG2      THR 123   9.416  -4.253  13.186
  979   2HG2  THR 123          2HG2      THR 123   8.340  -3.065  12.436
  980   3HG2  THR 123          3HG2      THR 123   9.879  -2.541  13.154
  981    H    PHE 124           H        PHE 124   5.349  -1.972  15.211
  982    HA   PHE 124           HA       PHE 124   4.314  -1.433  12.590
  983   1HB   PHE 124          1HB       PHE 124   3.070  -1.547  15.348
  984   2HB   PHE 124          2HB       PHE 124   2.164  -0.950  13.974
  985    HD1  PHE 124           HD1      PHE 124   3.985  -3.993  15.217
  986    HD2  PHE 124           HD2      PHE 124   1.128  -2.362  12.422
  987    HE1  PHE 124           HE1      PHE 124   3.266  -6.282  14.602
  988    HE2  PHE 124           HE2      PHE 124   0.404  -4.659  11.845
  989    HZ   PHE 124           HZ       PHE 124   1.457  -6.618  12.935
  990    H    ALA 125           H        ALA 125   4.844   0.717  15.453
  991    HA   ALA 125           HA       ALA 125   3.680   3.029  14.238
  992   1HB   ALA 125          1HB       ALA 125   5.855   2.873  16.368
  993   2HB   ALA 125          2HB       ALA 125   4.845   4.278  15.985
  994   3HB   ALA 125          3HB       ALA 125   4.101   2.817  16.666
  995    H    ALA 126           H        ALA 126   7.075   1.806  14.237
  996    HA   ALA 126           HA       ALA 126   8.189   3.953  12.744
  997   1HB   ALA 126          1HB       ALA 126   9.985   2.364  12.197
  998   2HB   ALA 126          2HB       ALA 126   9.542   2.241  13.911
  999   3HB   ALA 126          3HB       ALA 126   8.992   1.005  12.756
 1000    H    VAL 127           H        VAL 127   6.767   0.821  11.610
 1001    HA   VAL 127           HA       VAL 127   7.008   1.391   8.847
 1002    HB   VAL 127           HB       VAL 127   5.140  -0.412  10.427
 1003   1HG1  VAL 127          1HG1      VAL 127   5.409  -0.235   7.390
 1004   2HG1  VAL 127          2HG1      VAL 127   4.557  -1.508   8.292
 1005   3HG1  VAL 127          3HG1      VAL 127   3.950   0.136   8.339
 1006   1HG2  VAL 127          1HG2      VAL 127   7.586  -0.997  10.343
 1007   2HG2  VAL 127          2HG2      VAL 127   6.588  -2.185   9.502
 1008   3HG2  VAL 127          3HG2      VAL 127   7.500  -0.985   8.571
 1009    H    TYR 128           H        TYR 128   4.246   2.153  11.120
 1010    HA   TYR 128           HA       TYR 128   2.592   3.286   9.154
 1011   1HB   TYR 128          1HB       TYR 128   1.959   2.811  11.531
 1012   2HB   TYR 128          2HB       TYR 128   2.863   4.232  12.037
 1013    HD1  TYR 128           HD1      TYR 128  -0.336   3.016  11.004
 1014    HD2  TYR 128           HD2      TYR 128   2.165   6.535  10.879
 1015    HE1  TYR 128           HE1      TYR 128  -2.312   4.415  10.484
 1016    HE2  TYR 128           HE2      TYR 128   0.235   7.910  10.271
 1017    HH   TYR 128           HH       TYR 128  -2.089   7.952   9.933
 1018    H    THR 129           H        THR 129   5.250   4.828  11.059
 1019    HA   THR 129           HA       THR 129   4.853   7.442  10.016
 1020    HB   THR 129           HB       THR 129   7.442   6.151  10.989
 1021    HG1  THR 129           1HG      THR 129   5.867   5.872  12.548
 1022   1HG2  THR 129          1HG2      THR 129   6.505   9.058  10.989
 1023   2HG2  THR 129          2HG2      THR 129   7.995   8.448  11.749
 1024   3HG2  THR 129          3HG2      THR 129   7.807   8.375   9.992
 1025    H    LEU 130           H        LEU 130   6.925   4.727   8.849
 1026    HA   LEU 130           HA       LEU 130   8.063   6.220   6.689
 1027   1HB   LEU 130          1HB       LEU 130   9.065   4.259   7.761
 1028   2HB   LEU 130          2HB       LEU 130   7.766   3.228   7.171
 1029    HG   LEU 130           HG       LEU 130   8.531   3.351   4.926
 1030   1HD1  LEU 130          1HD1      LEU 130  10.527   4.698   4.232
 1031   2HD1  LEU 130          2HD1      LEU 130   9.161   5.716   4.671
 1032   3HD1  LEU 130          3HD1      LEU 130  10.513   5.500   5.817
 1033   1HD2  LEU 130          1HD2      LEU 130  10.760   2.399   5.123
 1034   2HD2  LEU 130          2HD2      LEU 130  11.010   3.194   6.691
 1035   3HD2  LEU 130          3HD2      LEU 130   9.812   1.906   6.541
 1036    H    LEU 131           H        LEU 131   5.151   4.153   6.928
 1037    HA   LEU 131           HA       LEU 131   4.451   4.318   4.131
 1038   1HB   LEU 131          1HB       LEU 131   2.776   3.810   6.629
 1039   2HB   LEU 131          2HB       LEU 131   2.127   3.774   4.997
 1040    HG   LEU 131           HG       LEU 131   4.277   1.890   6.054
 1041   1HD1  LEU 131          1HD1      LEU 131   1.339   1.423   5.384
 1042   2HD1  LEU 131          2HD1      LEU 131   2.504   0.195   5.918
 1043   3HD1  LEU 131          3HD1      LEU 131   2.039   1.496   7.021
 1044   1HD2  LEU 131          1HD2      LEU 131   3.867   0.620   3.961
 1045   2HD2  LEU 131          2HD2      LEU 131   2.877   1.964   3.357
 1046   3HD2  LEU 131          3HD2      LEU 131   4.609   2.188   3.670
 1047    H    GLU 132           H        GLU 132   3.679   6.374   7.003
 1048    HA   GLU 132           HA       GLU 132   1.848   8.071   5.650
 1049   1HB   GLU 132          1HB       GLU 132   2.042   7.998   8.084
 1050   2HB   GLU 132          2HB       GLU 132   3.689   8.637   8.009
 1051   1HG   GLU 132          1HG       GLU 132   2.845  10.751   7.043
 1052   2HG   GLU 132          2HG       GLU 132   1.204  10.106   7.034
 1053    H    ARG 133           H        ARG 133   5.432   8.390   6.095
 1054    HA   ARG 133           HA       ARG 133   5.726  10.750   4.536
 1055   1HB   ARG 133          1HB       ARG 133   7.590   8.348   4.869
 1056   2HB   ARG 133          2HB       ARG 133   8.029   9.825   4.000
 1057   1HG   ARG 133          1HG       ARG 133   7.646  11.166   6.037
 1058   2HG   ARG 133          2HG       ARG 133   7.178   9.702   6.910
 1059   1HD   ARG 133          1HD       ARG 133   9.474  10.296   7.451
 1060   2HD   ARG 133          2HD       ARG 133   9.430   8.757   6.600
 1061    HE   ARG 133           HE       ARG 133  10.287  11.406   5.506
 1062   1HH1  ARG 133          1HH2      ARG 133  10.390   7.860   5.224
 1063   2HH1  ARG 133          2HH2      ARG 133  11.604   7.856   3.981
 1064   1HH2  ARG 133          1HH1      ARG 133  11.921  11.382   3.889
 1065   2HH2  ARG 133          2HH1      ARG 133  12.472   9.879   3.214
 1066    H    SER 134           H        SER 134   5.827   7.335   3.491
 1067    HA   SER 134           HA       SER 134   6.327   7.875   0.760
 1068   1HB   SER 134          1HB       SER 134   4.883   5.509   2.017
 1069   2HB   SER 134          2HB       SER 134   5.616   5.553   0.403
 1070    HG   SER 134           HG       SER 134   6.866   5.654   2.950
 1071    H    ALA 135           H        ALA 135   3.189   7.425   2.468
 1072    HA   ALA 135           HA       ALA 135   1.529   7.766   0.194
 1073   1HB   ALA 135          1HB       ALA 135   0.958   8.442   3.119
 1074   2HB   ALA 135          2HB       ALA 135  -0.249   8.199   1.837
 1075   3HB   ALA 135          3HB       ALA 135   0.754   6.840   2.387
 1076    H    ARG 136           H        ARG 136   2.912  10.161   2.529
 1077    HA   ARG 136           HA       ARG 136   1.464  12.401   1.496
 1078   1HB   ARG 136          1HB       ARG 136   2.726  12.190   3.699
 1079   2HB   ARG 136          2HB       ARG 136   4.228  12.400   2.801
 1080   1HG   ARG 136          1HG       ARG 136   3.472  14.644   2.054
 1081   2HG   ARG 136          2HG       ARG 136   1.919  14.397   2.877
 1082   1HD   ARG 136          1HD       ARG 136   3.211  14.083   5.045
 1083   2HD   ARG 136          2HD       ARG 136   4.675  14.520   4.171
 1084    HE   ARG 136           HE       ARG 136   3.988  16.732   4.015
 1085   1HH1  ARG 136          1HH2      ARG 136   1.383  14.818   5.531
 1086   2HH1  ARG 136          2HH2      ARG 136   0.653  16.190   6.288
 1087   1HH2  ARG 136          1HH1      ARG 136   2.937  18.544   4.941
 1088   2HH2  ARG 136          2HH1      ARG 136   1.511  18.350   5.885
 1089    H    GLN 137           H        GLN 137   4.688  11.021   0.669
 1090    HA   GLN 137           HA       GLN 137   5.353  12.990  -1.272
 1091   1HB   GLN 137          1HB       GLN 137   6.195  10.081  -1.010
 1092   2HB   GLN 137          2HB       GLN 137   6.937  11.246  -2.103
 1093   1HG   GLN 137          1HG       GLN 137   6.840  11.790   0.886
 1094   2HG   GLN 137          2HG       GLN 137   8.050  10.721   0.190
 1095   1HE2  GLN 137          2HE2      GLN 137   9.475  12.377   1.253
 1096   2HE2  GLN 137          1HE2      GLN 137   9.916  13.780   0.313
 1097    H    TRP 138           H        TRP 138   3.751   9.740  -1.648
 1098    HA   TRP 138           HA       TRP 138   3.322   9.993  -4.421
 1099   1HB   TRP 138          1HB       TRP 138   2.235   8.262  -2.254
 1100   2HB   TRP 138          2HB       TRP 138   1.151   8.518  -3.608
 1101    HD1  TRP 138           HD1      TRP 138   4.120   6.474  -2.674
 1102    HE1  TRP 138           HE1      TRP 138   5.026   5.181  -4.711
 1103    HE3  TRP 138           HE3      TRP 138   1.386   8.735  -6.352
 1104    HZ2  TRP 138           HZ2      TRP 138   4.791   5.322  -7.595
 1105    HZ3  TRP 138           HZ3      TRP 138   1.743   8.148  -8.737
 1106    HH2  TRP 138           HH2      TRP 138   3.462   6.470  -9.368
 1107    H    ALA 139           H        ALA 139   1.189  11.093  -1.707
 1108    HA   ALA 139           HA       ALA 139  -0.861  12.114  -3.371
 1109   1HB   ALA 139          1HB       ALA 139  -1.432  13.501  -1.404
 1110   2HB   ALA 139          2HB       ALA 139  -1.126  11.806  -0.955
 1111   3HB   ALA 139          3HB       ALA 139   0.099  13.057  -0.631
 1112    H    GLN 140           H        GLN 140   2.115  13.718  -2.109
 1113    HA   GLN 140           HA       GLN 140   1.621  16.275  -3.165
 1114   1HB   GLN 140          1HB       GLN 140   3.337  15.826  -1.501
 1115   2HB   GLN 140          2HB       GLN 140   4.213  14.777  -2.610
 1116   1HG   GLN 140          1HG       GLN 140   5.359  16.873  -2.393
 1117   2HG   GLN 140          2HG       GLN 140   4.783  16.695  -4.041
 1118   1HE2  GLN 140          2HE2      GLN 140   2.856  17.999  -4.712
 1119   2HE2  GLN 140          1HE2      GLN 140   2.539  19.508  -3.874
 1120    H    ALA 141           H        ALA 141   3.029  13.366  -4.749
 1121    HA   ALA 141           HA       ALA 141   3.682  14.764  -7.192
 1122   1HB   ALA 141          1HB       ALA 141   3.965  12.509  -8.108
 1123   2HB   ALA 141          2HB       ALA 141   4.790  12.668  -6.540
 1124   3HB   ALA 141          3HB       ALA 141   3.246  11.791  -6.652
 1125    H    LEU 142           H        LEU 142   0.999  12.548  -6.249
 1126    HA   LEU 142           HA       LEU 142  -0.488  12.653  -8.622
 1127   1HB   LEU 142          1HB       LEU 142  -1.385  12.408  -5.724
 1128   2HB   LEU 142          2HB       LEU 142  -2.493  12.211  -7.070
 1129    HG   LEU 142           HG       LEU 142  -0.004  10.496  -6.735
 1130   1HD1  LEU 142          1HD1      LEU 142  -1.497  10.172  -4.801
 1131   2HD1  LEU 142          2HD1      LEU 142  -2.869   9.890  -5.894
 1132   3HD1  LEU 142          3HD1      LEU 142  -1.507   8.748  -5.850
 1133   1HD2  LEU 142          1HD2      LEU 142  -1.133   8.955  -8.259
 1134   2HD2  LEU 142          2HD2      LEU 142  -2.493  10.084  -8.432
 1135   3HD2  LEU 142          3HD2      LEU 142  -0.876  10.520  -9.032
 1136    H    ASN 143           H        ASN 143  -0.491  14.985  -5.929
 1137    HA   ASN 143           HA       ASN 143  -2.644  16.587  -6.923
 1138   1HB   ASN 143          1HB       ASN 143  -1.790  16.464  -4.542
 1139   2HB   ASN 143          2HB       ASN 143  -0.362  17.362  -5.059
 1140   1HD2  ASN 143          2HD2      ASN 143  -0.591  19.479  -4.299
 1141   2HD2  ASN 143          1HD2      ASN 143  -2.065  20.401  -4.376
 1142    H    ALA 144           H        ALA 144   0.441  16.219  -8.303
 1143    HA   ALA 144           HA       ALA 144   0.271  18.797  -9.697
 1144   1HB   ALA 144          1HB       ALA 144   2.734  17.893  -8.123
 1145   2HB   ALA 144          2HB       ALA 144   2.612  19.357  -9.126
 1146   3HB   ALA 144          3HB       ALA 144   1.645  19.218  -7.649
 1147    H    GLU 145           H        GLU 145  -0.258  16.150 -10.590
 1148    HA   GLU 145           HA       GLU 145   1.701  15.993 -12.777
 1149   1HB   GLU 145          1HB       GLU 145   2.237  14.333 -10.928
 1150   2HB   GLU 145          2HB       GLU 145   0.705  13.518 -11.285
 1151   1HG   GLU 145          1HG       GLU 145   1.500  12.996 -13.531
 1152   2HG   GLU 145          2HG       GLU 145   2.879  14.079 -13.336
 1153    H    GLN 146           H        GLN 146  -0.875  17.201 -12.466
 1154    HA   GLN 146           HA       GLN 146  -2.797  15.776 -14.075
 1155   1HB   GLN 146          1HB       GLN 146  -2.396  18.702 -13.272
 1156   2HB   GLN 146          2HB       GLN 146  -3.678  18.198 -14.372
 1157   1HG   GLN 146          1HG       GLN 146  -4.548  18.424 -12.097
 1158   2HG   GLN 146          2HG       GLN 146  -4.688  16.775 -12.690
 1159   1HE2  GLN 146          2HE2      GLN 146  -4.539  15.495 -10.845
 1160   2HE2  GLN 146          1HE2      GLN 146  -3.171  15.539  -9.746
 1161    H    VAL 147           H        VAL 147  -3.261  16.130 -16.242
 1162    HA   VAL 147           HA       VAL 147  -1.197  17.199 -18.035
 1163    HB   VAL 147           HB       VAL 147  -1.283  14.899 -19.200
 1164   1HG1  VAL 147          1HG1      VAL 147   0.592  14.020 -17.929
 1165   2HG1  VAL 147          2HG1      VAL 147   0.721  15.783 -18.016
 1166   3HG1  VAL 147          3HG1      VAL 147   0.164  15.004 -16.519
 1167   1HG2  VAL 147          1HG2      VAL 147  -2.098  13.918 -16.409
 1168   2HG2  VAL 147          2HG2      VAL 147  -3.126  13.870 -17.861
 1169   3HG2  VAL 147          3HG2      VAL 147  -1.641  12.915 -17.800
  Start of MODEL   14
    1    H    MET   1           H        MET   1  -4.056  11.036 -15.854
    2    HA   MET   1           HA       MET   1  -3.141  10.649 -13.672
    3   1HB   MET   1          1HB       MET   1  -4.906  12.404 -14.073
    4   2HB   MET   1          2HB       MET   1  -6.128  11.277 -13.489
    5   1HG   MET   1          1HG       MET   1  -3.694  12.098 -11.852
    6   2HG   MET   1          2HG       MET   1  -5.182  13.032 -11.872
    7   1HE   MET   1          1HE       MET   1  -5.000  12.865  -9.169
    8   2HE   MET   1          2HE       MET   1  -4.972  11.311  -8.303
    9   3HE   MET   1          3HE       MET   1  -3.598  11.786  -9.342
   10    H    PHE   2           H        PHE   2  -2.871   9.226 -11.988
   11    HA   PHE   2           HA       PHE   2  -3.966   6.582 -12.271
   12   1HB   PHE   2          1HB       PHE   2  -2.247   7.610  -9.995
   13   2HB   PHE   2          2HB       PHE   2  -2.349   5.982 -10.627
   14    HD1  PHE   2           HD1      PHE   2  -0.531   9.038 -10.633
   15    HD2  PHE   2           HD2      PHE   2  -1.521   5.689 -13.168
   16    HE1  PHE   2           HE1      PHE   2   1.373   9.589 -12.073
   17    HE2  PHE   2           HE2      PHE   2   0.424   6.230 -14.616
   18    HZ   PHE   2           HZ       PHE   2   1.880   8.178 -14.081
   19    H    ASN   3           H        ASN   3  -6.250   7.958 -11.810
   20    HA   ASN   3           HA       ASN   3  -6.763   8.691  -9.145
   21   1HB   ASN   3          1HB       ASN   3  -8.086   9.487 -11.086
   22   2HB   ASN   3          2HB       ASN   3  -8.815   7.883 -11.236
   23   1HD2  ASN   3          2HD2      ASN   3  -8.342  10.559  -8.815
   24   2HD2  ASN   3          1HD2      ASN   3  -9.838  10.262  -7.956
   25    H    ASN   4           H        ASN   4  -6.746   5.481 -10.477
   26    HA   ASN   4           HA       ASN   4  -8.039   4.426  -8.011
   27   1HB   ASN   4          1HB       ASN   4  -9.000   2.606  -9.372
   28   2HB   ASN   4          2HB       ASN   4  -9.656   4.184  -9.757
   29   1HD2  ASN   4          2HD2      ASN   4  -9.101   5.170 -11.856
   30   2HD2  ASN   4          1HD2      ASN   4  -8.440   4.178 -13.129
   31    H    ILE   5           H        ILE   5  -6.767   3.167  -6.870
   32    HA   ILE   5           HA       ILE   5  -4.284   2.032  -8.103
   33    HB   ILE   5           HB       ILE   5  -4.686   3.635  -5.551
   34   1HG1  ILE   5          1HG1      ILE   5  -3.264   4.385  -8.137
   35   2HG1  ILE   5          2HG1      ILE   5  -4.765   5.064  -7.515
   36   1HG2  ILE   5          1HG2      ILE   5  -2.906   1.949  -5.160
   37   2HG2  ILE   5          2HG2      ILE   5  -2.015   2.591  -6.559
   38   3HG2  ILE   5          3HG2      ILE   5  -2.299   3.575  -5.098
   39   1HD1  ILE   5          1HD1      ILE   5  -3.100   6.647  -7.107
   40   2HD1  ILE   5          2HD1      ILE   5  -3.574   5.935  -5.551
   41   3HD1  ILE   5          3HD1      ILE   5  -2.029   5.470  -6.329
   42    H    LEU   6           H        LEU   6  -3.467   0.139  -7.097
   43    HA   LEU   6           HA       LEU   6  -5.148  -1.055  -4.914
   44   1HB   LEU   6          1HB       LEU   6  -5.582  -2.181  -7.034
   45   2HB   LEU   6          2HB       LEU   6  -3.860  -2.441  -7.295
   46    HG   LEU   6           HG       LEU   6  -3.767  -3.952  -5.350
   47   1HD1  LEU   6          1HD1      LEU   6  -5.930  -4.712  -4.292
   48   2HD1  LEU   6          2HD1      LEU   6  -5.464  -3.070  -3.868
   49   3HD1  LEU   6          3HD1      LEU   6  -6.745  -3.339  -5.075
   50   1HD2  LEU   6          1HD2      LEU   6  -6.058  -4.631  -7.243
   51   2HD2  LEU   6          2HD2      LEU   6  -4.332  -4.844  -7.593
   52   3HD2  LEU   6          3HD2      LEU   6  -5.091  -5.785  -6.298
   53    H    VAL   7           H        VAL   7  -3.951  -1.175  -3.099
   54    HA   VAL   7           HA       VAL   7  -1.022  -1.114  -3.264
   55    HB   VAL   7           HB       VAL   7  -2.884  -1.115  -0.858
   56   1HG1  VAL   7          1HG1      VAL   7  -0.887  -0.321   0.370
   57   2HG1  VAL   7          2HG1      VAL   7  -0.635  -1.948  -0.249
   58   3HG1  VAL   7          3HG1      VAL   7   0.118  -0.566  -1.073
   59   1HG2  VAL   7          1HG2      VAL   7  -3.085   0.939  -2.261
   60   2HG2  VAL   7          2HG2      VAL   7  -2.347   1.282  -0.694
   61   3HG2  VAL   7          3HG2      VAL   7  -1.334   1.185  -2.154
   62    H    VAL   8           H        VAL   8   0.306  -2.855  -2.644
   63    HA   VAL   8           HA       VAL   8  -1.033  -5.432  -2.016
   64    HB   VAL   8           HB       VAL   8   1.245  -5.237  -3.995
   65   1HG1  VAL   8          1HG1      VAL   8   0.686  -7.431  -2.991
   66   2HG1  VAL   8          2HG1      VAL   8  -0.994  -7.268  -3.564
   67   3HG1  VAL   8          3HG1      VAL   8   0.347  -7.409  -4.717
   68   1HG2  VAL   8          1HG2      VAL   8  -0.385  -3.840  -5.077
   69   2HG2  VAL   8          2HG2      VAL   8  -0.414  -5.424  -5.848
   70   3HG2  VAL   8          3HG2      VAL   8  -1.696  -4.972  -4.694
   71    H    CYS   9           H        CYS   9  -0.042  -6.475  -0.328
   72    HA   CYS   9           HA       CYS   9   2.891  -6.071   0.089
   73   1HB   CYS   9          1HB       CYS   9   0.838  -6.049   2.347
   74   2HB   CYS   9          2HB       CYS   9   2.589  -5.836   2.488
   75    HG   CYS   9           HG       CYS   9   0.218  -3.937   1.335
   76    H    VAL  10           H        VAL  10   3.504  -7.734   2.038
   77    HA   VAL  10           HA       VAL  10   2.259 -10.366   1.328
   78    HB   VAL  10           HB       VAL  10   4.688 -10.302   1.032
   79   1HG1  VAL  10          1HG1      VAL  10   5.377  -8.597   2.643
   80   2HG1  VAL  10          2HG1      VAL  10   4.896  -9.639   4.001
   81   3HG1  VAL  10          3HG1      VAL  10   6.238 -10.106   2.939
   82   1HG2  VAL  10          1HG2      VAL  10   5.255 -12.279   2.309
   83   2HG2  VAL  10          2HG2      VAL  10   3.923 -11.990   3.442
   84   3HG2  VAL  10          3HG2      VAL  10   3.585 -12.393   1.740
   85    H    GLY  11           H        GLY  11   1.343 -11.540   3.192
   86   1HA   GLY  11          1HA       GLY  11   0.341 -11.706   5.268
   87   2HA   GLY  11          2HA       GLY  11   1.182 -10.243   5.800
   88    H    ASN  12           H        ASN  12   0.332  -8.377   3.927
   89    HA   ASN  12           HA       ASN  12  -1.288  -7.107   3.041
   90   1HB   ASN  12          1HB       ASN  12  -2.188  -9.215   2.117
   91   2HB   ASN  12          2HB       ASN  12  -3.220  -9.392   3.531
   92   1HD2  ASN  12          2HD2      ASN  12  -3.454  -6.086   3.064
   93   2HD2  ASN  12          1HD2      ASN  12  -4.724  -6.126   1.852
   94    H    ILE  13           H        ILE  13  -2.414  -8.746   6.000
   95    HA   ILE  13           HA       ILE  13  -4.483  -7.069   6.673
   96    HB   ILE  13           HB       ILE  13  -4.237  -8.041   8.954
   97   1HG1  ILE  13          1HG1      ILE  13  -1.708  -9.392   7.895
   98   2HG1  ILE  13          2HG1      ILE  13  -1.705  -8.027   9.003
   99   1HG2  ILE  13          1HG2      ILE  13  -4.668 -10.333   8.271
  100   2HG2  ILE  13          2HG2      ILE  13  -5.370  -9.232   7.095
  101   3HG2  ILE  13          3HG2      ILE  13  -3.855 -10.077   6.716
  102   1HD1  ILE  13          1HD1      ILE  13  -3.022  -9.407  10.648
  103   2HD1  ILE  13          2HD1      ILE  13  -2.837 -10.799   9.557
  104   3HD1  ILE  13          3HD1      ILE  13  -1.408 -10.046  10.278
  105    H    CYS  14           H        CYS  14  -1.378  -5.795   6.608
  106    HA   CYS  14           HA       CYS  14  -1.991  -3.871   8.811
  107   1HB   CYS  14          1HB       CYS  14   0.488  -4.000   9.372
  108   2HB   CYS  14          2HB       CYS  14  -0.505  -5.386   9.835
  109    HG   CYS  14           HG       CYS  14   1.785  -6.303   9.077
  110    H    ARG  15           H        ARG  15   0.610  -4.307   6.280
  111    HA   ARG  15           HA       ARG  15   0.887  -1.455   6.138
  112   1HB   ARG  15          1HB       ARG  15   1.944  -3.748   4.445
  113   2HB   ARG  15          2HB       ARG  15   2.258  -2.056   4.029
  114   1HG   ARG  15          1HG       ARG  15   3.225  -1.695   6.301
  115   2HG   ARG  15          2HG       ARG  15   3.029  -3.416   6.645
  116   1HD   ARG  15          1HD       ARG  15   4.690  -2.249   4.362
  117   2HD   ARG  15          2HD       ARG  15   5.338  -2.765   5.924
  118    HE   ARG  15           HE       ARG  15   4.018  -5.013   5.040
  119   1HH1  ARG  15          1HH2      ARG  15   6.923  -3.241   4.084
  120   2HH1  ARG  15          2HH2      ARG  15   7.443  -4.491   3.013
  121   1HH2  ARG  15          1HH1      ARG  15   4.997  -6.673   3.950
  122   2HH2  ARG  15          2HH1      ARG  15   6.371  -6.381   2.876
  123    H    SER  16           H        SER  16  -0.765  -3.774   3.878
  124    HA   SER  16           HA       SER  16  -1.324  -1.880   1.962
  125   1HB   SER  16          1HB       SER  16  -3.284  -4.078   2.584
  126   2HB   SER  16          2HB       SER  16  -2.867  -3.356   1.022
  127    HG   SER  16           HG       SER  16  -1.835  -5.293   1.116
  128    HA   PRO  17           HA       PRO  17  -5.478  -0.612   3.894
  129   1HB   PRO  17          1HB       PRO  17  -5.973  -0.966   6.587
  130   2HB   PRO  17          2HB       PRO  17  -6.473  -2.081   5.290
  131   1HG   PRO  17          1HG       PRO  17  -4.022  -2.258   7.061
  132   2HG   PRO  17          2HG       PRO  17  -5.182  -3.559   6.672
  133   1HD   PRO  17          1HD       PRO  17  -2.852  -3.360   5.339
  134   2HD   PRO  17          2HD       PRO  17  -4.351  -3.777   4.469
  135    H    THR  18           H        THR  18  -2.523  -0.452   5.935
  136    HA   THR  18           HA       THR  18  -3.152   2.084   7.147
  137    HB   THR  18           HB       THR  18  -0.477   0.723   6.593
  138    HG1  THR  18           1HG      THR  18  -1.540  -0.551   7.944
  139   1HG2  THR  18          1HG2      THR  18  -1.180   3.026   8.463
  140   2HG2  THR  18          2HG2      THR  18   0.353   2.119   8.492
  141   3HG2  THR  18          3HG2      THR  18  -0.073   3.083   7.074
  142    H    ALA  19           H        ALA  19  -1.209   1.154   4.225
  143    HA   ALA  19           HA       ALA  19  -0.660   3.846   3.424
  144   1HB   ALA  19          1HB       ALA  19  -0.786   1.219   1.899
  145   2HB   ALA  19          2HB       ALA  19  -0.221   2.742   1.185
  146   3HB   ALA  19          3HB       ALA  19   0.657   2.019   2.560
  147    H    GLU  20           H        GLU  20  -3.248   1.522   2.459
  148    HA   GLU  20           HA       GLU  20  -4.479   3.047   0.459
  149   1HB   GLU  20          1HB       GLU  20  -5.030   0.687   0.995
  150   2HB   GLU  20          2HB       GLU  20  -5.693   1.196   2.548
  151   1HG   GLU  20          1HG       GLU  20  -7.293   2.695   0.990
  152   2HG   GLU  20          2HG       GLU  20  -6.837   1.492  -0.208
  153    H    ARG  21           H        ARG  21  -5.329   2.957   3.988
  154    HA   ARG  21           HA       ARG  21  -7.333   4.971   3.621
  155   1HB   ARG  21          1HB       ARG  21  -5.937   3.845   6.083
  156   2HB   ARG  21          2HB       ARG  21  -7.283   4.972   6.148
  157   1HG   ARG  21          1HG       ARG  21  -7.449   2.248   4.775
  158   2HG   ARG  21          2HG       ARG  21  -7.920   2.577   6.430
  159   1HD   ARG  21          1HD       ARG  21  -9.364   4.522   5.124
  160   2HD   ARG  21          2HD       ARG  21  -9.358   3.256   3.907
  161    HE   ARG  21           HE       ARG  21 -10.513   3.206   6.636
  162   1HH1  ARG  21          1HH2      ARG  21  -9.826   1.184   3.728
  163   2HH1  ARG  21          2HH2      ARG  21 -10.846  -0.090   4.285
  164   1HH2  ARG  21          2HH1      ARG  21 -11.597   1.451   7.399
  165   2HH2  ARG  21          1HH1      ARG  21 -11.961   0.086   6.384
  166    H    LEU  22           H        LEU  22  -3.875   5.205   4.603
  167    HA   LEU  22           HA       LEU  22  -4.065   7.988   5.310
  168   1HB   LEU  22          1HB       LEU  22  -1.770   6.220   4.396
  169   2HB   LEU  22          2HB       LEU  22  -1.543   7.937   4.717
  170    HG   LEU  22           HG       LEU  22  -2.730   6.060   6.803
  171   1HD1  LEU  22          1HD1      LEU  22  -0.425   5.331   6.155
  172   2HD1  LEU  22          2HD1      LEU  22   0.165   6.951   6.562
  173   3HD1  LEU  22          3HD1      LEU  22  -0.530   5.919   7.822
  174   1HD2  LEU  22          1HD2      LEU  22  -3.181   8.457   7.208
  175   2HD2  LEU  22          2HD2      LEU  22  -1.997   7.854   8.364
  176   3HD2  LEU  22          3HD2      LEU  22  -1.463   8.835   6.993
  177    H    LEU  23           H        LEU  23  -3.485   6.321   2.169
  178    HA   LEU  23           HA       LEU  23  -3.098   8.726   0.660
  179   1HB   LEU  23          1HB       LEU  23  -4.111   5.953  -0.053
  180   2HB   LEU  23          2HB       LEU  23  -3.996   7.235  -1.243
  181    HG   LEU  23           HG       LEU  23  -1.571   6.463   0.398
  182   1HD1  LEU  23          1HD1      LEU  23  -0.909   4.927  -1.416
  183   2HD1  LEU  23          2HD1      LEU  23  -2.384   4.389  -0.638
  184   3HD1  LEU  23          3HD1      LEU  23  -2.460   5.190  -2.230
  185   1HD2  LEU  23          1HD2      LEU  23  -0.382   7.353  -1.574
  186   2HD2  LEU  23          2HD2      LEU  23  -1.925   7.717  -2.365
  187   3HD2  LEU  23          3HD2      LEU  23  -1.452   8.576  -0.882
  188    H    GLN  24           H        GLN  24  -6.095   6.943   1.609
  189    HA   GLN  24           HA       GLN  24  -7.881   8.621   0.135
  190   1HB   GLN  24          1HB       GLN  24  -8.339   7.050   2.719
  191   2HB   GLN  24          2HB       GLN  24  -9.593   7.877   1.820
  192   1HG   GLN  24          1HG       GLN  24  -7.958   5.505   0.846
  193   2HG   GLN  24          2HG       GLN  24  -9.652   5.511   1.316
  194   1HE2  GLN  24          2HE2      GLN  24 -10.979   7.335  -0.005
  195   2HE2  GLN  24          1HE2      GLN  24 -10.560   7.455  -1.720
  196    H    ARG  25           H        ARG  25  -6.638   8.845   3.527
  197    HA   ARG  25           HA       ARG  25  -8.086  11.158   4.226
  198   1HB   ARG  25          1HB       ARG  25  -7.054   9.860   5.929
  199   2HB   ARG  25          2HB       ARG  25  -5.447  10.014   5.216
  200   1HG   ARG  25          1HG       ARG  25  -5.226  12.289   5.845
  201   2HG   ARG  25          2HG       ARG  25  -6.946  12.463   6.219
  202   1HD   ARG  25          1HD       ARG  25  -5.121  10.568   7.750
  203   2HD   ARG  25          2HD       ARG  25  -5.326  12.274   8.191
  204    HE   ARG  25           HE       ARG  25  -7.904  11.291   7.944
  205   1HH1  ARG  25          1HH2      ARG  25  -5.129  10.579  10.046
  206   2HH1  ARG  25          2HH2      ARG  25  -6.096  10.091  11.397
  207   1HH2  ARG  25          1HH1      ARG  25  -9.183  10.663   9.713
  208   2HH2  ARG  25          2HH1      ARG  25  -8.466  10.020  11.145
  209    H    TYR  26           H        TYR  26  -4.724  10.948   2.876
  210    HA   TYR  26           HA       TYR  26  -4.540  13.816   2.857
  211   1HB   TYR  26          1HB       TYR  26  -2.765  11.714   1.581
  212   2HB   TYR  26          2HB       TYR  26  -2.370  13.426   1.716
  213    HD1  TYR  26           HD1      TYR  26  -1.368  10.512   3.052
  214    HD2  TYR  26           HD2      TYR  26  -3.059  14.246   4.404
  215    HE1  TYR  26           HE1      TYR  26  -0.441  10.118   5.316
  216    HE2  TYR  26           HE2      TYR  26  -2.189  13.833   6.668
  217    HH   TYR  26           HH       TYR  26  -1.067  12.360   8.060
  218    H    HIS  27           H        HIS  27  -5.905  11.620   0.489
  219    HA   HIS  27           HA       HIS  27  -6.341  13.960  -1.265
  220   1HB   HIS  27          1HB       HIS  27  -4.265  12.732  -1.960
  221   2HB   HIS  27          2HB       HIS  27  -5.240  11.303  -2.249
  222    HD1  HIS  27           HD1      HIS  27  -6.796  14.591  -3.490
  223    HD2  HIS  27           HD2      HIS  27  -4.154  11.573  -4.747
  224    HE1  HIS  27           HE1      HIS  27  -6.627  14.800  -6.011
  225    HA   PRO  28           HA       PRO  28 -10.114  11.484  -0.191
  226   1HB   PRO  28          1HB       PRO  28 -11.308  14.192  -0.804
  227   2HB   PRO  28          2HB       PRO  28 -11.775  13.015   0.464
  228   1HG   PRO  28          1HG       PRO  28 -10.256  15.159   1.106
  229   2HG   PRO  28          2HG       PRO  28  -9.837  13.543   1.766
  230   1HD   PRO  28          1HD       PRO  28  -8.597  14.993  -0.584
  231   2HD   PRO  28          2HD       PRO  28  -7.805  14.096   0.745
  232    H    GLU  29           H        GLU  29  -9.419  13.423  -3.086
  233    HA   GLU  29           HA       GLU  29 -11.697  12.562  -4.632
  234   1HB   GLU  29          1HB       GLU  29  -8.968  13.546  -5.569
  235   2HB   GLU  29          2HB       GLU  29 -10.442  13.508  -6.528
  236   1HG   GLU  29          1HG       GLU  29  -9.912  15.257  -4.093
  237   2HG   GLU  29          2HG       GLU  29  -9.921  15.768  -5.772
  238    H    LEU  30           H        LEU  30  -8.976  10.822  -3.564
  239    HA   LEU  30           HA       LEU  30  -8.467   9.353  -6.047
  240   1HB   LEU  30          1HB       LEU  30  -6.751  10.338  -4.423
  241   2HB   LEU  30          2HB       LEU  30  -7.266   9.105  -3.264
  242    HG   LEU  30           HG       LEU  30  -6.495   7.352  -4.929
  243   1HD1  LEU  30          1HD1      LEU  30  -4.965   8.122  -6.727
  244   2HD1  LEU  30          2HD1      LEU  30  -6.595   8.746  -6.973
  245   3HD1  LEU  30          3HD1      LEU  30  -5.345   9.817  -6.333
  246   1HD2  LEU  30          1HD2      LEU  30  -4.105   7.743  -4.366
  247   2HD2  LEU  30          2HD2      LEU  30  -4.481   9.420  -3.929
  248   3HD2  LEU  30          3HD2      LEU  30  -5.165   8.088  -2.994
  249    H    LYS  31           H        LYS  31  -8.597   7.057  -6.192
  250    HA   LYS  31           HA       LYS  31 -10.179   5.674  -4.057
  251   1HB   LYS  31          1HB       LYS  31 -11.397   5.657  -6.168
  252   2HB   LYS  31          2HB       LYS  31  -9.939   5.204  -7.053
  253   1HG   LYS  31          1HG       LYS  31 -11.440   3.297  -6.847
  254   2HG   LYS  31          2HG       LYS  31  -9.914   2.989  -6.034
  255   1HD   LYS  31          1HD       LYS  31 -11.043   3.531  -3.828
  256   2HD   LYS  31          2HD       LYS  31 -12.571   3.707  -4.713
  257   1HE   LYS  31          1HE       LYS  31 -12.375   1.357  -5.500
  258   2HE   LYS  31          2HE       LYS  31 -10.818   1.199  -4.681
  259   1HZ   LYS  31          1HZ       LYS  31 -13.427   1.624  -3.349
  260   2HZ   LYS  31          2HZ       LYS  31 -12.548   0.240  -3.351
  261   3HZ   LYS  31          3HZ       LYS  31 -11.986   1.565  -2.568
  262    H    VAL  32           H        VAL  32  -8.977   4.298  -2.914
  263    HA   VAL  32           HA       VAL  32  -6.820   2.815  -4.269
  264    HB   VAL  32           HB       VAL  32  -6.556   3.909  -1.437
  265   1HG1  VAL  32          1HG1      VAL  32  -5.251   1.875  -1.885
  266   2HG1  VAL  32          2HG1      VAL  32  -4.590   2.592  -3.364
  267   3HG1  VAL  32          3HG1      VAL  32  -4.166   3.261  -1.781
  268   1HG2  VAL  32          1HG2      VAL  32  -4.796   5.430  -2.375
  269   2HG2  VAL  32          2HG2      VAL  32  -5.349   5.036  -4.006
  270   3HG2  VAL  32          3HG2      VAL  32  -6.420   5.871  -2.872
  271    H    GLU  33           H        GLU  33  -6.758   0.645  -3.619
  272    HA   GLU  33           HA       GLU  33  -8.408  -0.143  -1.294
  273   1HB   GLU  33          1HB       GLU  33  -9.511  -0.408  -3.744
  274   2HB   GLU  33          2HB       GLU  33  -8.589  -1.917  -3.709
  275   1HG   GLU  33          1HG       GLU  33  -9.737  -2.571  -1.626
  276   2HG   GLU  33          2HG       GLU  33 -10.493  -0.984  -1.506
  277    H    SER  34           H        SER  34  -7.831  -2.666  -0.898
  278    HA   SER  34           HA       SER  34  -4.860  -2.853  -1.134
  279   1HB   SER  34          1HB       SER  34  -5.122  -3.695   1.298
  280   2HB   SER  34          2HB       SER  34  -5.226  -1.956   0.976
  281    HG   SER  34           HG       SER  34  -7.353  -1.960   1.293
  282    H    ALA  35           H        ALA  35  -3.891  -4.847  -1.163
  283    HA   ALA  35           HA       ALA  35  -5.380  -7.325  -0.720
  284   1HB   ALA  35          1HB       ALA  35  -4.213  -6.650  -3.471
  285   2HB   ALA  35          2HB       ALA  35  -4.894  -8.219  -2.983
  286   3HB   ALA  35          3HB       ALA  35  -5.947  -6.812  -3.096
  287    H    GLY  36           H        GLY  36  -3.598  -9.187  -1.414
  288   1HA   GLY  36          1HA       GLY  36  -0.848  -8.166  -1.237
  289   2HA   GLY  36          2HA       GLY  36  -1.380  -9.193   0.088
  290    H    LEU  37           H        LEU  37   0.818  -9.703  -1.551
  291    HA   LEU  37           HA       LEU  37   0.209 -11.648  -3.636
  292   1HB   LEU  37          1HB       LEU  37   2.710 -10.884  -2.068
  293   2HB   LEU  37          2HB       LEU  37   2.711 -12.220  -3.210
  294    HG   LEU  37           HG       LEU  37   1.907  -9.397  -4.016
  295   1HD1  LEU  37          1HD1      LEU  37   4.637 -10.734  -4.222
  296   2HD1  LEU  37          2HD1      LEU  37   4.181  -9.169  -4.938
  297   3HD1  LEU  37          3HD1      LEU  37   4.213  -9.360  -3.178
  298   1HD2  LEU  37          1HD2      LEU  37   2.774 -11.844  -5.626
  299   2HD2  LEU  37          2HD2      LEU  37   1.140 -11.155  -5.571
  300   3HD2  LEU  37          3HD2      LEU  37   2.454 -10.238  -6.299
  301    H    GLY  38           H        GLY  38   1.519 -11.869  -0.309
  302   1HA   GLY  38          1HA       GLY  38   0.494 -14.675  -0.084
  303   2HA   GLY  38          2HA       GLY  38   1.832 -13.980   0.852
  304    H    ALA  39           H        ALA  39  -1.534 -13.027  -0.006
  305    HA   ALA  39           HA       ALA  39  -1.950 -11.553   2.423
  306   1HB   ALA  39          1HB       ALA  39  -3.963 -12.688   0.438
  307   2HB   ALA  39          2HB       ALA  39  -4.264 -11.377   1.585
  308   3HB   ALA  39          3HB       ALA  39  -3.133 -11.120   0.257
  309    H    LEU  40           H        LEU  40  -3.800 -12.001   3.887
  310    HA   LEU  40           HA       LEU  40  -3.945 -14.888   4.688
  311   1HB   LEU  40          1HB       LEU  40  -3.757 -12.316   6.297
  312   2HB   LEU  40          2HB       LEU  40  -4.083 -13.894   7.011
  313    HG   LEU  40           HG       LEU  40  -1.533 -13.188   5.488
  314   1HD1  LEU  40          1HD1      LEU  40  -1.717 -11.907   7.568
  315   2HD1  LEU  40          2HD1      LEU  40  -2.028 -13.397   8.487
  316   3HD1  LEU  40          3HD1      LEU  40  -0.453 -13.137   7.699
  317   1HD2  LEU  40          1HD2      LEU  40  -2.256 -15.633   7.164
  318   2HD2  LEU  40          2HD2      LEU  40  -1.974 -15.599   5.408
  319   3HD2  LEU  40          3HD2      LEU  40  -0.642 -15.269   6.515
  320    H    VAL  41           H        VAL  41  -5.785 -14.678   3.064
  321    HA   VAL  41           HA       VAL  41  -7.839 -12.863   3.274
  322    HB   VAL  41           HB       VAL  41  -8.165 -15.762   2.399
  323   1HG1  VAL  41          1HG1      VAL  41  -9.797 -14.823   0.796
  324   2HG1  VAL  41          2HG1      VAL  41 -10.284 -14.478   2.456
  325   3HG1  VAL  41          3HG1      VAL  41  -9.544 -13.199   1.468
  326   1HG2  VAL  41          1HG2      VAL  41  -7.528 -14.858   0.110
  327   2HG2  VAL  41          2HG2      VAL  41  -6.942 -13.393   0.941
  328   3HG2  VAL  41          3HG2      VAL  41  -6.196 -14.975   1.252
  329    H    GLY  42           H        GLY  42  -9.510 -12.469   4.577
  330   1HA   GLY  42          1HA       GLY  42 -11.419 -13.063   5.783
  331   2HA   GLY  42          2HA       GLY  42 -10.753 -14.662   6.101
  332    H    LYS  43           H        LYS  43  -8.193 -12.682   6.938
  333    HA   LYS  43           HA       LYS  43  -8.824 -13.216   9.727
  334   1HB   LYS  43          1HB       LYS  43  -6.361 -12.307   8.224
  335   2HB   LYS  43          2HB       LYS  43  -6.400 -12.216   9.972
  336   1HG   LYS  43          1HG       LYS  43  -5.348 -14.302   9.055
  337   2HG   LYS  43          2HG       LYS  43  -6.610 -14.553  10.265
  338   1HD   LYS  43          1HD       LYS  43  -8.210 -15.233   8.629
  339   2HD   LYS  43          2HD       LYS  43  -7.184 -14.667   7.307
  340   1HE   LYS  43          1HE       LYS  43  -5.551 -16.430   7.747
  341   2HE   LYS  43          2HE       LYS  43  -6.535 -17.034   9.090
  342   1HZ   LYS  43          1HZ       LYS  43  -8.255 -17.613   7.567
  343   2HZ   LYS  43          2HZ       LYS  43  -7.567 -16.826   6.313
  344   3HZ   LYS  43          3HZ       LYS  43  -6.882 -18.196   6.914
  345    H    GLY  44           H        GLY  44  -9.457 -10.373   7.897
  346   1HA   GLY  44          1HA       GLY  44 -10.082  -8.285   8.613
  347   2HA   GLY  44          2HA       GLY  44  -9.862  -8.782  10.292
  348    H    ALA  45           H        ALA  45  -8.980  -6.330   9.737
  349    HA   ALA  45           HA       ALA  45  -6.202  -6.195   8.947
  350   1HB   ALA  45          1HB       ALA  45  -7.582  -4.206   8.788
  351   2HB   ALA  45          2HB       ALA  45  -7.954  -4.254  10.514
  352   3HB   ALA  45          3HB       ALA  45  -6.297  -3.918   9.968
  353    H    ASP  46           H        ASP  46  -4.399  -5.807  10.307
  354    HA   ASP  46           HA       ASP  46  -4.196  -7.637  12.457
  355   1HB   ASP  46          1HB       ASP  46  -2.340  -7.092  11.004
  356   2HB   ASP  46          2HB       ASP  46  -2.376  -5.404  11.504
  357    HA   PRO  47           HA       PRO  47  -5.801  -5.146  15.810
  358   1HB   PRO  47          1HB       PRO  47  -3.770  -6.659  17.462
  359   2HB   PRO  47          2HB       PRO  47  -5.490  -6.314  17.829
  360   1HG   PRO  47          1HG       PRO  47  -4.755  -8.745  16.883
  361   2HG   PRO  47          2HG       PRO  47  -6.227  -7.941  16.243
  362   1HD   PRO  47          1HD       PRO  47  -3.479  -8.105  14.996
  363   2HD   PRO  47          2HD       PRO  47  -5.093  -8.272  14.238
  364    H    THR  48           H        THR  48  -2.210  -5.322  15.414
  365    HA   THR  48           HA       THR  48  -1.868  -3.026  17.236
  366    HB   THR  48           HB       THR  48   0.185  -4.521  15.575
  367    HG1  THR  48           1HG      THR  48  -0.684  -4.900  18.262
  368   1HG2  THR  48          1HG2      THR  48   1.010  -2.343  16.373
  369   2HG2  THR  48          2HG2      THR  48   0.478  -2.733  18.024
  370   3HG2  THR  48          3HG2      THR  48   1.788  -3.664  17.259
  371    H    ALA  49           H        ALA  49  -1.883  -3.796  13.709
  372    HA   ALA  49           HA       ALA  49  -1.121  -1.183  12.823
  373   1HB   ALA  49          1HB       ALA  49  -2.253  -1.787  10.734
  374   2HB   ALA  49          2HB       ALA  49  -1.289  -3.157  11.320
  375   3HB   ALA  49          3HB       ALA  49  -3.055  -3.156  11.527
  376    H    ILE  50           H        ILE  50  -4.344  -2.616  13.609
  377    HA   ILE  50           HA       ILE  50  -5.885  -0.265  13.215
  378    HB   ILE  50           HB       ILE  50  -6.236  -2.584  15.132
  379   1HG1  ILE  50          1HG1      ILE  50  -7.764  -2.024  12.546
  380   2HG1  ILE  50          2HG1      ILE  50  -6.327  -3.033  12.592
  381   1HG2  ILE  50          1HG2      ILE  50  -7.538  -0.674  16.001
  382   2HG2  ILE  50          2HG2      ILE  50  -8.278  -0.433  14.405
  383   3HG2  ILE  50          3HG2      ILE  50  -8.622  -1.887  15.367
  384   1HD1  ILE  50          1HD1      ILE  50  -8.255  -4.483  12.686
  385   2HD1  ILE  50          2HD1      ILE  50  -7.454  -4.538  14.259
  386   3HD1  ILE  50          3HD1      ILE  50  -8.950  -3.598  14.038
  387    H    SER  51           H        SER  51  -4.179  -1.451  16.207
  388    HA   SER  51           HA       SER  51  -5.100   0.633  17.857
  389   1HB   SER  51          1HB       SER  51  -2.476  -0.907  18.043
  390   2HB   SER  51          2HB       SER  51  -3.224   0.039  19.340
  391    HG   SER  51           HG       SER  51  -4.273  -2.291  18.064
  392    H    VAL  52           H        VAL  52  -2.004   0.504  15.959
  393    HA   VAL  52           HA       VAL  52  -1.152   3.109  16.754
  394    HB   VAL  52           HB       VAL  52  -0.511   1.437  14.287
  395   1HG1  VAL  52          1HG1      VAL  52   1.511   2.857  14.043
  396   2HG1  VAL  52          2HG1      VAL  52   0.040   3.807  13.816
  397   3HG1  VAL  52          3HG1      VAL  52   0.928   3.918  15.345
  398   1HG2  VAL  52          1HG2      VAL  52   0.197   0.455  16.512
  399   2HG2  VAL  52          2HG2      VAL  52   1.569   0.911  15.502
  400   3HG2  VAL  52          3HG2      VAL  52   1.086   1.952  16.840
  401    H    ALA  53           H        ALA  53  -3.272   2.016  14.001
  402    HA   ALA  53           HA       ALA  53  -3.420   4.663  12.880
  403   1HB   ALA  53          1HB       ALA  53  -3.885   2.584  11.621
  404   2HB   ALA  53          2HB       ALA  53  -5.348   2.330  12.607
  405   3HB   ALA  53          3HB       ALA  53  -5.221   3.746  11.534
  406    H    ALA  54           H        ALA  54  -5.356   2.979  15.392
  407    HA   ALA  54           HA       ALA  54  -7.436   4.945  15.521
  408   1HB   ALA  54          1HB       ALA  54  -7.957   3.880  17.684
  409   2HB   ALA  54          2HB       ALA  54  -7.674   2.655  16.430
  410   3HB   ALA  54          3HB       ALA  54  -6.418   2.998  17.643
  411    H    GLU  55           H        GLU  55  -4.216   4.652  17.108
  412    HA   GLU  55           HA       GLU  55  -4.526   6.983  18.738
  413   1HB   GLU  55          1HB       GLU  55  -2.120   5.470  17.686
  414   2HB   GLU  55          2HB       GLU  55  -1.959   6.919  18.689
  415   1HG   GLU  55          1HG       GLU  55  -3.141   5.920  20.523
  416   2HG   GLU  55          2HG       GLU  55  -3.674   4.555  19.544
  417    H    HIS  56           H        HIS  56  -4.300   6.732  15.317
  418    HA   HIS  56           HA       HIS  56  -3.900   9.681  15.111
  419   1HB   HIS  56          1HB       HIS  56  -3.436   7.532  13.010
  420   2HB   HIS  56          2HB       HIS  56  -3.258   9.270  12.763
  421    HD1  HIS  56           HD1      HIS  56  -1.260  10.417  14.530
  422    HD2  HIS  56           HD2      HIS  56  -1.267   6.297  13.686
  423    HE1  HIS  56           HE1      HIS  56   1.057   9.563  15.141
  424    H    GLN  57           H        GLN  57  -6.278   7.705  15.636
  425    HA   GLN  57           HA       GLN  57  -8.433   7.413  15.064
  426   1HB   GLN  57          1HB       GLN  57  -8.257  10.425  14.611
  427   2HB   GLN  57          2HB       GLN  57  -9.728   9.491  14.873
  428   1HG   GLN  57          1HG       GLN  57  -9.298  10.432  16.959
  429   2HG   GLN  57          2HG       GLN  57  -8.771   8.765  17.122
  430   1HE2  GLN  57          2HE2      GLN  57  -6.685   8.449  17.916
  431   2HE2  GLN  57          1HE2      GLN  57  -5.450   9.694  18.008
  432    H    LEU  58           H        LEU  58  -7.186   6.303  13.076
  433    HA   LEU  58           HA       LEU  58  -8.969   7.052  10.810
  434   1HB   LEU  58          1HB       LEU  58  -6.284   7.435  10.619
  435   2HB   LEU  58          2HB       LEU  58  -6.352   5.736  10.170
  436    HG   LEU  58           HG       LEU  58  -7.754   8.097   8.856
  437   1HD1  LEU  58          1HD1      LEU  58  -6.393   7.517   6.919
  438   2HD1  LEU  58          2HD1      LEU  58  -5.366   7.778   8.334
  439   3HD1  LEU  58          3HD1      LEU  58  -5.700   6.123   7.786
  440   1HD2  LEU  58          1HD2      LEU  58  -8.176   5.156   8.238
  441   2HD2  LEU  58          2HD2      LEU  58  -9.400   6.370   8.687
  442   3HD2  LEU  58          3HD2      LEU  58  -8.603   6.500   7.138
  443    H    SER  59           H        SER  59 -10.377   5.434  10.473
  444    HA   SER  59           HA       SER  59 -10.140   3.049  12.029
  445   1HB   SER  59          1HB       SER  59 -12.290   3.864  10.033
  446   2HB   SER  59          2HB       SER  59 -12.451   2.696  11.355
  447    HG   SER  59           HG       SER  59 -12.213   4.384  12.826
  448    H    LEU  60           H        LEU  60  -8.519   1.664  11.163
  449    HA   LEU  60           HA       LEU  60  -8.761   0.658   8.386
  450   1HB   LEU  60          1HB       LEU  60  -7.118  -0.542  10.644
  451   2HB   LEU  60          2HB       LEU  60  -6.934  -0.790   8.918
  452    HG   LEU  60           HG       LEU  60  -6.195   1.645  10.543
  453   1HD1  LEU  60          1HD1      LEU  60  -4.636  -0.265  10.616
  454   2HD1  LEU  60          2HD1      LEU  60  -4.548  -0.281   8.842
  455   3HD1  LEU  60          3HD1      LEU  60  -3.911   1.097   9.753
  456   1HD2  LEU  60          1HD2      LEU  60  -6.131   1.369   7.523
  457   2HD2  LEU  60          2HD2      LEU  60  -7.037   2.561   8.494
  458   3HD2  LEU  60          3HD2      LEU  60  -5.277   2.629   8.441
  459    H    GLU  61           H        GLU  61 -10.522   0.217  11.189
  460    HA   GLU  61           HA       GLU  61 -10.380  -2.431  11.909
  461   1HB   GLU  61          1HB       GLU  61 -12.773  -0.557  11.970
  462   2HB   GLU  61          2HB       GLU  61 -12.695  -2.107  12.820
  463   1HG   GLU  61          1HG       GLU  61 -10.699  -1.331  14.072
  464   2HG   GLU  61          2HG       GLU  61 -10.801   0.240  13.272
  465    H    GLY  62           H        GLY  62 -12.353  -1.247   9.117
  466   1HA   GLY  62          1HA       GLY  62 -13.700  -3.835   8.961
  467   2HA   GLY  62          2HA       GLY  62 -14.025  -2.383   8.018
  468    H    HIS  63           H        HIS  63 -10.676  -2.835   7.815
  469    HA   HIS  63           HA       HIS  63 -10.811  -3.806   5.079
  470   1HB   HIS  63          1HB       HIS  63  -8.958  -2.413   5.569
  471   2HB   HIS  63          2HB       HIS  63  -8.577  -3.274   7.054
  472    HD1  HIS  63           HD1      HIS  63  -7.978  -3.599   3.251
  473    HD2  HIS  63           HD2      HIS  63  -7.198  -5.584   6.889
  474    HE1  HIS  63           HE1      HIS  63  -6.440  -5.507   2.711
  475    H    CYS  64           H        CYS  64 -10.275  -5.849   4.304
  476    HA   CYS  64           HA       CYS  64  -9.471  -7.918   6.212
  477   1HB   CYS  64          1HB       CYS  64 -12.030  -8.030   5.904
  478   2HB   CYS  64          2HB       CYS  64 -11.699  -8.503   4.221
  479    HG   CYS  64           HG       CYS  64 -12.259 -10.606   5.690
  480    H    ALA  65           H        ALA  65  -8.091  -9.402   5.251
  481    HA   ALA  65           HA       ALA  65  -6.650  -8.367   3.004
  482   1HB   ALA  65          1HB       ALA  65  -5.453  -9.413   4.776
  483   2HB   ALA  65          2HB       ALA  65  -6.439 -10.889   4.660
  484   3HB   ALA  65          3HB       ALA  65  -5.290 -10.486   3.374
  485    H    ARG  66           H        ARG  66  -6.052  -9.523   1.056
  486    HA   ARG  66           HA       ARG  66  -8.004 -11.503  -0.009
  487   1HB   ARG  66          1HB       ARG  66  -7.513  -8.772  -1.288
  488   2HB   ARG  66          2HB       ARG  66  -8.414 -10.106  -2.014
  489   1HG   ARG  66          1HG       ARG  66 -10.052  -9.986  -0.111
  490   2HG   ARG  66          2HG       ARG  66  -9.196  -8.549   0.481
  491   1HD   ARG  66          1HD       ARG  66 -10.528  -8.816  -2.241
  492   2HD   ARG  66          2HD       ARG  66 -11.189  -7.958  -0.835
  493    HE   ARG  66           HE       ARG  66  -8.592  -6.935  -1.362
  494   1HH1  ARG  66          1HH2      ARG  66 -11.899  -6.781  -2.757
  495   2HH1  ARG  66          2HH2      ARG  66 -11.595  -5.178  -3.401
  496   1HH2  ARG  66          1HH1      ARG  66  -8.302  -4.942  -2.360
  497   2HH2  ARG  66          2HH1      ARG  66  -9.643  -4.220  -3.269
  498    H    GLN  67           H        GLN  67  -6.858 -12.912  -1.293
  499    HA   GLN  67           HA       GLN  67  -4.039 -12.401  -1.857
  500   1HB   GLN  67          1HB       GLN  67  -5.192 -14.640  -1.179
  501   2HB   GLN  67          2HB       GLN  67  -5.704 -14.747  -2.859
  502   1HG   GLN  67          1HG       GLN  67  -2.810 -14.448  -1.902
  503   2HG   GLN  67          2HG       GLN  67  -3.584 -15.997  -2.200
  504   1HE2  GLN  67          2HE2      GLN  67  -1.402 -14.018  -3.591
  505   2HE2  GLN  67          1HE2      GLN  67  -1.830 -14.188  -5.289
  506    H    ILE  68           H        ILE  68  -3.368 -11.231  -3.412
  507    HA   ILE  68           HA       ILE  68  -5.155 -10.063  -5.249
  508    HB   ILE  68           HB       ILE  68  -3.066  -9.033  -4.405
  509   1HG1  ILE  68          1HG1      ILE  68  -3.189  -9.070  -7.449
  510   2HG1  ILE  68          2HG1      ILE  68  -4.394  -8.267  -6.431
  511   1HG2  ILE  68          1HG2      ILE  68  -1.552 -10.626  -6.510
  512   2HG2  ILE  68          2HG2      ILE  68  -0.898  -9.517  -5.290
  513   3HG2  ILE  68          3HG2      ILE  68  -1.580 -11.073  -4.799
  514   1HD1  ILE  68          1HD1      ILE  68  -2.750  -6.658  -7.221
  515   2HD1  ILE  68          2HD1      ILE  68  -2.659  -6.841  -5.459
  516   3HD1  ILE  68          3HD1      ILE  68  -1.433  -7.598  -6.510
  517    H    SER  69           H        SER  69  -5.259 -10.225  -7.528
  518    HA   SER  69           HA       SER  69  -4.373 -12.735  -8.773
  519   1HB   SER  69          1HB       SER  69  -6.582 -13.210  -7.722
  520   2HB   SER  69          2HB       SER  69  -7.280 -11.816  -8.546
  521    HG   SER  69           HG       SER  69  -6.181 -14.135  -9.801
  522    H    ARG  70           H        ARG  70  -4.498 -12.508 -11.127
  523    HA   ARG  70           HA       ARG  70  -3.681  -9.967 -12.092
  524   1HB   ARG  70          1HB       ARG  70  -3.187 -12.260 -12.996
  525   2HB   ARG  70          2HB       ARG  70  -4.816 -12.323 -13.669
  526   1HG   ARG  70          1HG       ARG  70  -4.300 -10.508 -15.222
  527   2HG   ARG  70          2HG       ARG  70  -2.746 -10.200 -14.408
  528   1HD   ARG  70          1HD       ARG  70  -2.021 -12.520 -14.934
  529   2HD   ARG  70          2HD       ARG  70  -3.534 -12.803 -15.790
  530    HE   ARG  70           HE       ARG  70  -2.766 -10.835 -17.295
  531   1HH1  ARG  70          1HH2      ARG  70  -0.336 -12.968 -15.807
  532   2HH1  ARG  70          2HH2      ARG  70   0.415 -13.361 -17.317
  533   1HH2  ARG  70          1HH1      ARG  70  -1.658 -11.083 -19.127
  534   2HH2  ARG  70          2HH1      ARG  70  -0.257 -12.124 -19.277
  535    H    ARG  71           H        ARG  71  -6.893 -11.495 -11.933
  536    HA   ARG  71           HA       ARG  71  -8.384  -9.622 -13.461
  537   1HB   ARG  71          1HB       ARG  71  -9.123 -11.151 -10.926
  538   2HB   ARG  71          2HB       ARG  71 -10.281 -10.350 -11.981
  539   1HG   ARG  71          1HG       ARG  71  -9.907 -11.865 -13.779
  540   2HG   ARG  71          2HG       ARG  71  -8.441 -12.533 -13.061
  541   1HD   ARG  71          1HD       ARG  71 -11.216 -12.813 -11.853
  542   2HD   ARG  71          2HD       ARG  71 -10.414 -14.039 -12.852
  543    HE   ARG  71           HE       ARG  71  -8.568 -13.514 -10.861
  544   1HH1  ARG  71          1HH2      ARG  71 -11.938 -14.652 -10.848
  545   2HH1  ARG  71          2HH2      ARG  71 -11.779 -15.495  -9.352
  546   1HH2  ARG  71          1HH1      ARG  71  -8.358 -14.573  -8.943
  547   2HH2  ARG  71          2HH1      ARG  71  -9.664 -15.469  -8.226
  548    H    LEU  72           H        LEU  72  -7.531  -9.573  -9.947
  549    HA   LEU  72           HA       LEU  72  -8.814  -7.060  -9.420
  550   1HB   LEU  72          1HB       LEU  72  -6.725  -8.722  -7.983
  551   2HB   LEU  72          2HB       LEU  72  -6.848  -7.005  -7.616
  552    HG   LEU  72           HG       LEU  72  -9.247  -7.230  -7.164
  553   1HD1  LEU  72          1HD1      LEU  72  -8.732 -10.237  -7.344
  554   2HD1  LEU  72          2HD1      LEU  72 -10.203  -9.484  -6.698
  555   3HD1  LEU  72          3HD1      LEU  72  -9.799  -9.286  -8.403
  556   1HD2  LEU  72          1HD2      LEU  72  -7.444  -9.020  -5.465
  557   2HD2  LEU  72          2HD2      LEU  72  -7.580  -7.251  -5.339
  558   3HD2  LEU  72          3HD2      LEU  72  -8.966  -8.270  -4.935
  559    H    CYS  73           H        CYS  73  -5.458  -7.933 -10.426
  560    HA   CYS  73           HA       CYS  73  -4.484  -5.315 -10.184
  561   1HB   CYS  73          1HB       CYS  73  -3.639  -7.395 -12.277
  562   2HB   CYS  73          2HB       CYS  73  -2.700  -5.985 -11.772
  563    HG   CYS  73           HG       CYS  73  -3.709  -8.547  -9.898
  564    H    ARG  74           H        ARG  74  -5.965  -6.911 -13.092
  565    HA   ARG  74           HA       ARG  74  -5.775  -4.686 -14.830
  566   1HB   ARG  74          1HB       ARG  74  -7.805  -6.950 -14.640
  567   2HB   ARG  74          2HB       ARG  74  -7.802  -5.778 -15.951
  568   1HG   ARG  74          1HG       ARG  74  -5.622  -6.498 -16.731
  569   2HG   ARG  74          2HG       ARG  74  -5.427  -7.594 -15.346
  570   1HD   ARG  74          1HD       ARG  74  -7.424  -8.854 -16.034
  571   2HD   ARG  74          2HD       ARG  74  -7.666  -7.767 -17.414
  572    HE   ARG  74           HE       ARG  74  -5.199  -8.632 -17.977
  573   1HH1  ARG  74          1HH2      ARG  74  -8.182 -10.402 -17.142
  574   2HH1  ARG  74          2HH2      ARG  74  -7.724 -11.838 -17.975
  575   1HH2  ARG  74          1HH1      ARG  74  -4.555 -10.560 -18.969
  576   2HH2  ARG  74          2HH1      ARG  74  -5.635 -11.921 -19.093
  577    H    ASN  75           H        ASN  75  -8.073  -5.279 -12.181
  578    HA   ASN  75           HA       ASN  75 -10.047  -3.425 -13.031
  579   1HB   ASN  75          1HB       ASN  75 -10.381  -5.150 -11.255
  580   2HB   ASN  75          2HB       ASN  75  -9.364  -4.196 -10.171
  581   1HD2  ASN  75          2HD2      ASN  75 -10.325  -2.490  -9.017
  582   2HD2  ASN  75          1HD2      ASN  75 -11.975  -1.979  -9.272
  583    H    TYR  76           H        TYR  76  -6.843  -2.805 -11.704
  584    HA   TYR  76           HA       TYR  76  -7.637   0.025 -11.173
  585   1HB   TYR  76          1HB       TYR  76  -5.551  -1.656  -9.770
  586   2HB   TYR  76          2HB       TYR  76  -5.774   0.076  -9.537
  587    HD1  TYR  76           HD1      TYR  76  -7.779   0.981  -8.440
  588    HD2  TYR  76           HD2      TYR  76  -7.211  -3.240  -8.904
  589    HE1  TYR  76           HE1      TYR  76  -9.596   0.579  -6.810
  590    HE2  TYR  76           HE2      TYR  76  -8.987  -3.691  -7.237
  591    HH   TYR  76           HH       TYR  76 -10.624  -2.694  -5.805
  592    H    ASP  77           H        ASP  77  -5.636   1.552 -11.329
  593    HA   ASP  77           HA       ASP  77  -4.369   0.954 -13.966
  594   1HB   ASP  77          1HB       ASP  77  -6.085   2.710 -13.896
  595   2HB   ASP  77          2HB       ASP  77  -5.147   3.586 -12.680
  596    H    LEU  78           H        LEU  78  -3.505   1.381 -10.690
  597    HA   LEU  78           HA       LEU  78  -0.671   1.464 -11.448
  598   1HB   LEU  78          1HB       LEU  78  -1.643   3.847 -10.889
  599   2HB   LEU  78          2HB       LEU  78  -1.695   3.275  -9.234
  600    HG   LEU  78           HG       LEU  78   0.248   4.647  -9.640
  601   1HD1  LEU  78          1HD1      LEU  78   0.480   2.689  -8.068
  602   2HD1  LEU  78          2HD1      LEU  78   1.298   1.815  -9.389
  603   3HD1  LEU  78          3HD1      LEU  78   1.995   3.302  -8.743
  604   1HD2  LEU  78          1HD2      LEU  78   0.476   4.227 -12.073
  605   2HD2  LEU  78          2HD2      LEU  78   2.007   4.135 -11.195
  606   3HD2  LEU  78          3HD2      LEU  78   1.199   2.649 -11.724
  607    H    ILE  79           H        ILE  79   0.297  -0.139 -10.279
  608    HA   ILE  79           HA       ILE  79  -1.222  -1.321  -7.993
  609    HB   ILE  79           HB       ILE  79   0.952  -2.618  -9.672
  610   1HG1  ILE  79          1HG1      ILE  79  -0.910  -2.324 -11.183
  611   2HG1  ILE  79          2HG1      ILE  79  -0.767  -4.010 -10.732
  612   1HG2  ILE  79          1HG2      ILE  79  -0.997  -3.726  -7.610
  613   2HG2  ILE  79          2HG2      ILE  79   0.124  -4.701  -8.585
  614   3HG2  ILE  79          3HG2      ILE  79   0.751  -3.523  -7.418
  615   1HD1  ILE  79          1HD1      ILE  79  -2.684  -3.782  -9.170
  616   2HD1  ILE  79          2HD1      ILE  79  -2.823  -2.056  -9.593
  617   3HD1  ILE  79          3HD1      ILE  79  -3.110  -3.299 -10.814
  618    H    LEU  80           H        LEU  80  -0.236  -1.041  -6.031
  619    HA   LEU  80           HA       LEU  80   2.411   0.350  -6.065
  620   1HB   LEU  80          1HB       LEU  80   0.247   1.674  -5.831
  621   2HB   LEU  80          2HB       LEU  80  -0.014   0.871  -4.291
  622    HG   LEU  80           HG       LEU  80   1.915   1.986  -3.321
  623   1HD1  LEU  80          1HD1      LEU  80   2.487   2.931  -6.165
  624   2HD1  LEU  80          2HD1      LEU  80   3.191   3.688  -4.733
  625   3HD1  LEU  80          3HD1      LEU  80   3.554   2.004  -5.079
  626   1HD2  LEU  80          1HD2      LEU  80   1.156   4.372  -3.666
  627   2HD2  LEU  80          2HD2      LEU  80   0.228   3.857  -5.067
  628   3HD2  LEU  80          3HD2      LEU  80  -0.198   3.256  -3.448
  629    H    THR  81           H        THR  81   3.935  -0.461  -4.646
  630    HA   THR  81           HA       THR  81   3.053  -2.181  -2.420
  631    HB   THR  81           HB       THR  81   3.151  -3.645  -4.435
  632    HG1  THR  81           1HG      THR  81   3.530  -4.481  -2.442
  633   1HG2  THR  81          1HG2      THR  81   6.141  -3.048  -4.443
  634   2HG2  THR  81          2HG2      THR  81   5.285  -4.241  -5.442
  635   3HG2  THR  81          3HG2      THR  81   4.983  -2.512  -5.681
  636    H    MET  82           H        MET  82   5.262  -2.943  -1.221
  637    HA   MET  82           HA       MET  82   6.708  -0.350  -0.907
  638   1HB   MET  82          1HB       MET  82   5.868  -2.470   1.112
  639   2HB   MET  82          2HB       MET  82   6.915  -1.099   1.453
  640   1HG   MET  82          1HG       MET  82   4.804  -0.493   2.223
  641   2HG   MET  82          2HG       MET  82   5.092   0.460   0.770
  642   1HE   MET  82          1HE       MET  82   2.473  -0.062   2.502
  643   2HE   MET  82          2HE       MET  82   2.298   1.007   1.089
  644   3HE   MET  82          3HE       MET  82   1.174  -0.349   1.335
  645    H    GLU  83           H        GLU  83   7.252  -3.508  -2.022
  646    HA   GLU  83           HA       GLU  83  10.136  -3.294  -1.296
  647   1HB   GLU  83          1HB       GLU  83   8.302  -5.708  -0.979
  648   2HB   GLU  83          2HB       GLU  83  10.061  -5.754  -0.920
  649   1HG   GLU  83          1HG       GLU  83  10.075  -4.232   1.017
  650   2HG   GLU  83          2HG       GLU  83   8.303  -4.185   0.996
  651    H    LYS  84           H        LYS  84  11.569  -4.076  -2.812
  652    HA   LYS  84           HA       LYS  84  10.579  -3.885  -5.475
  653   1HB   LYS  84          1HB       LYS  84  13.333  -4.589  -4.375
  654   2HB   LYS  84          2HB       LYS  84  13.000  -4.248  -6.082
  655   1HG   LYS  84          1HG       LYS  84  12.292  -1.995  -5.614
  656   2HG   LYS  84          2HG       LYS  84  12.247  -2.280  -3.875
  657   1HD   LYS  84          1HD       LYS  84  14.722  -2.597  -3.866
  658   2HD   LYS  84          2HD       LYS  84  14.752  -2.109  -5.582
  659   1HE   LYS  84          1HE       LYS  84  13.701   0.045  -5.018
  660   2HE   LYS  84          2HE       LYS  84  13.472  -0.462  -3.344
  661   1HZ   LYS  84          1HZ       LYS  84  16.068   0.109  -4.631
  662   2HZ   LYS  84          2HZ       LYS  84  15.308   0.967  -3.446
  663   3HZ   LYS  84          3HZ       LYS  84  15.912  -0.516  -3.124
  664    H    ARG  85           H        ARG  85  11.482  -6.789  -3.551
  665    HA   ARG  85           HA       ARG  85  11.144  -8.539  -5.835
  666   1HB   ARG  85          1HB       ARG  85  11.152 -10.385  -4.419
  667   2HB   ARG  85          2HB       ARG  85  12.425  -9.305  -3.927
  668   1HG   ARG  85          1HG       ARG  85   9.777  -9.772  -2.480
  669   2HG   ARG  85          2HG       ARG  85  11.336 -10.456  -2.053
  670   1HD   ARG  85          1HD       ARG  85  10.442  -7.595  -1.803
  671   2HD   ARG  85          2HD       ARG  85  10.908  -8.706  -0.512
  672    HE   ARG  85           HE       ARG  85  13.113  -8.384  -2.285
  673   1HH1  ARG  85          1HH2      ARG  85  11.519  -6.739   0.479
  674   2HH1  ARG  85          2HH2      ARG  85  12.818  -5.577   0.633
  675   1HH2  ARG  85          1HH1      ARG  85  14.749  -6.759  -2.041
  676   2HH2  ARG  85          2HH1      ARG  85  14.540  -5.490  -0.873
  677    H    HIS  86           H        HIS  86   8.771  -6.924  -3.752
  678    HA   HIS  86           HA       HIS  86   6.607  -8.687  -4.590
  679   1HB   HIS  86          1HB       HIS  86   6.484  -5.824  -3.573
  680   2HB   HIS  86          2HB       HIS  86   5.118  -6.878  -3.852
  681    HD1  HIS  86           HD1      HIS  86   7.241  -9.257  -2.223
  682    HD2  HIS  86           HD2      HIS  86   5.198  -5.769  -1.058
  683    HE1  HIS  86           HE1      HIS  86   6.958  -9.392   0.300
  684    H    ILE  87           H        ILE  87   8.061  -5.584  -5.795
  685    HA   ILE  87           HA       ILE  87   6.279  -5.237  -7.963
  686    HB   ILE  87           HB       ILE  87   9.252  -4.555  -7.848
  687   1HG1  ILE  87          1HG1      ILE  87   6.816  -2.843  -7.205
  688   2HG1  ILE  87          2HG1      ILE  87   7.933  -3.518  -6.017
  689   1HG2  ILE  87          1HG2      ILE  87   8.357  -4.557 -10.177
  690   2HG2  ILE  87          2HG2      ILE  87   7.108  -3.404  -9.674
  691   3HG2  ILE  87          3HG2      ILE  87   8.826  -2.958  -9.641
  692   1HD1  ILE  87          1HD1      ILE  87   8.551  -1.366  -8.060
  693   2HD1  ILE  87          2HD1      ILE  87   8.485  -1.247  -6.300
  694   3HD1  ILE  87          3HD1      ILE  87   9.786  -2.181  -7.061
  695    H    GLU  88           H        GLU  88   9.383  -7.092  -7.760
  696    HA   GLU  88           HA       GLU  88   9.379  -7.958 -10.419
  697   1HB   GLU  88          1HB       GLU  88  11.262  -8.119  -8.798
  698   2HB   GLU  88          2HB       GLU  88  10.442  -9.463  -7.989
  699   1HG   GLU  88          1HG       GLU  88  10.555 -10.805 -10.058
  700   2HG   GLU  88          2HG       GLU  88  11.276  -9.444 -10.922
  701    H    ARG  89           H        ARG  89   7.828  -9.550  -7.564
  702    HA   ARG  89           HA       ARG  89   6.915 -11.832  -9.044
  703   1HB   ARG  89          1HB       ARG  89   5.879 -10.579  -6.478
  704   2HB   ARG  89          2HB       ARG  89   5.279 -12.095  -7.151
  705   1HG   ARG  89          1HG       ARG  89   8.132 -11.563  -6.263
  706   2HG   ARG  89          2HG       ARG  89   6.919 -12.499  -5.383
  707   1HD   ARG  89          1HD       ARG  89   6.905 -14.050  -7.461
  708   2HD   ARG  89          2HD       ARG  89   8.332 -13.138  -7.988
  709    HE   ARG  89           HE       ARG  89   9.631 -14.112  -6.385
  710   1HH1  ARG  89          1HH2      ARG  89   6.257 -15.038  -5.763
  711   2HH1  ARG  89          2HH2      ARG  89   6.655 -16.249  -4.602
  712   1HH2  ARG  89          1HH1      ARG  89  10.160 -15.725  -4.841
  713   2HH2  ARG  89          2HH1      ARG  89   8.926 -16.646  -4.071
  714    H    LEU  90           H        LEU  90   5.408  -8.635  -8.351
  715    HA   LEU  90           HA       LEU  90   2.885  -9.334  -9.507
  716   1HB   LEU  90          1HB       LEU  90   4.278  -6.698  -8.944
  717   2HB   LEU  90          2HB       LEU  90   2.674  -6.752  -9.678
  718    HG   LEU  90           HG       LEU  90   3.272  -8.165  -7.052
  719   1HD1  LEU  90          1HD1      LEU  90   3.802  -5.796  -6.748
  720   2HD1  LEU  90          2HD1      LEU  90   2.235  -5.334  -7.437
  721   3HD1  LEU  90          3HD1      LEU  90   2.315  -6.219  -5.895
  722   1HD2  LEU  90          1HD2      LEU  90   1.204  -8.865  -8.274
  723   2HD2  LEU  90          2HD2      LEU  90   0.853  -8.068  -6.753
  724   3HD2  LEU  90          3HD2      LEU  90   0.655  -7.178  -8.277
  725    H    CYS  91           H        CYS  91   5.811  -7.766 -10.954
  726    HA   CYS  91           HA       CYS  91   4.655  -7.406 -13.531
  727   1HB   CYS  91          1HB       CYS  91   7.546  -7.912 -12.688
  728   2HB   CYS  91          2HB       CYS  91   7.037  -7.410 -14.311
  729    HG   CYS  91           HG       CYS  91   8.028  -5.357 -13.008
  730    H    GLU  92           H        GLU  92   6.292 -10.272 -12.052
  731    HA   GLU  92           HA       GLU  92   6.246 -11.829 -14.427
  732   1HB   GLU  92          1HB       GLU  92   7.637 -12.229 -12.359
  733   2HB   GLU  92          2HB       GLU  92   6.181 -12.771 -11.530
  734   1HG   GLU  92          1HG       GLU  92   7.380 -14.704 -12.243
  735   2HG   GLU  92          2HG       GLU  92   5.932 -14.602 -13.229
  736    H    MET  93           H        MET  93   3.858 -11.421 -11.760
  737    HA   MET  93           HA       MET  93   2.040 -13.442 -12.713
  738   1HB   MET  93          1HB       MET  93   1.732 -11.061 -10.839
  739   2HB   MET  93          2HB       MET  93   0.398 -12.151 -11.234
  740   1HG   MET  93          1HG       MET  93   1.599 -14.068 -10.352
  741   2HG   MET  93          2HG       MET  93   3.037 -13.094 -10.069
  742   1HE   MET  93          1HE       MET  93  -0.644 -13.876  -8.968
  743   2HE   MET  93          2HE       MET  93  -0.884 -12.785  -7.587
  744   3HE   MET  93          3HE       MET  93  -0.808 -12.122  -9.230
  745    H    ALA  94           H        ALA  94   2.389  -9.949 -13.417
  746    HA   ALA  94           HA       ALA  94   0.253 -10.199 -15.482
  747   1HB   ALA  94          1HB       ALA  94  -0.746  -8.102 -14.681
  748   2HB   ALA  94          2HB       ALA  94  -0.779  -9.338 -13.406
  749   3HB   ALA  94          3HB       ALA  94   0.421  -8.034 -13.342
  750    HA   PRO  95           HA       PRO  95   4.152  -8.203 -17.133
  751   1HB   PRO  95          1HB       PRO  95   3.047  -9.643 -19.546
  752   2HB   PRO  95          2HB       PRO  95   4.754  -9.397 -19.061
  753   1HG   PRO  95          1HG       PRO  95   3.548 -11.780 -18.615
  754   2HG   PRO  95          2HG       PRO  95   4.582 -11.052 -17.342
  755   1HD   PRO  95          1HD       PRO  95   1.565 -11.005 -17.561
  756   2HD   PRO  95          2HD       PRO  95   2.591 -11.345 -16.137
  757    H    GLU  96           H        GLU  96   0.776  -8.385 -18.300
  758    HA   GLU  96           HA       GLU  96   0.578  -6.291 -20.095
  759   1HB   GLU  96          1HB       GLU  96  -1.278  -6.991 -17.773
  760   2HB   GLU  96          2HB       GLU  96  -1.739  -6.011 -19.172
  761   1HG   GLU  96          1HG       GLU  96  -1.506  -7.899 -20.664
  762   2HG   GLU  96          2HG       GLU  96  -0.759  -8.870 -19.386
  763    H    MET  97           H        MET  97   1.105  -6.128 -16.640
  764    HA   MET  97           HA       MET  97   0.732  -3.164 -16.598
  765   1HB   MET  97          1HB       MET  97   0.215  -5.245 -14.428
  766   2HB   MET  97          2HB       MET  97   0.049  -3.498 -14.244
  767   1HG   MET  97          1HG       MET  97  -1.619  -3.554 -16.180
  768   2HG   MET  97          2HG       MET  97  -1.567  -5.314 -16.059
  769   1HE   MET  97          1HE       MET  97  -1.675  -2.299 -13.459
  770   2HE   MET  97          2HE       MET  97  -2.967  -1.983 -14.641
  771   3HE   MET  97          3HE       MET  97  -3.372  -2.393 -12.964
  772    H    ARG  98           H        ARG  98   3.282  -5.076 -16.936
  773    HA   ARG  98           HA       ARG  98   4.837  -4.672 -14.617
  774   1HB   ARG  98          1HB       ARG  98   6.750  -5.238 -15.932
  775   2HB   ARG  98          2HB       ARG  98   5.392  -6.231 -16.445
  776   1HG   ARG  98          1HG       ARG  98   5.070  -4.528 -18.373
  777   2HG   ARG  98          2HG       ARG  98   6.642  -3.868 -17.917
  778   1HD   ARG  98          1HD       ARG  98   6.062  -6.745 -18.734
  779   2HD   ARG  98          2HD       ARG  98   6.795  -5.507 -19.767
  780    HE   ARG  98           HE       ARG  98   8.468  -5.536 -17.609
  781   1HH1  ARG  98          1HH2      ARG  98   7.344  -8.052 -19.846
  782   2HH1  ARG  98          2HH2      ARG  98   8.735  -9.051 -19.649
  783   1HH2  ARG  98          1HH1      ARG  98  10.326  -6.867 -17.342
  784   2HH2  ARG  98          2HH1      ARG  98  10.473  -8.349 -18.205
  785    H    GLY  99           H        GLY  99   4.062  -2.344 -17.149
  786   1HA   GLY  99          1HA       GLY  99   6.010  -0.367 -16.204
  787   2HA   GLY  99          2HA       GLY  99   4.808  -0.178 -17.484
  788    H    LYS 100           H        LYS 100   3.185  -1.441 -14.805
  789    HA   LYS 100           HA       LYS 100   2.348   1.253 -13.822
  790   1HB   LYS 100          1HB       LYS 100   0.684  -1.220 -14.454
  791   2HB   LYS 100          2HB       LYS 100   0.075   0.180 -13.573
  792   1HG   LYS 100          1HG       LYS 100   0.457   1.643 -15.480
  793   2HG   LYS 100          2HG       LYS 100   1.157   0.306 -16.417
  794   1HD   LYS 100          1HD       LYS 100  -0.934  -0.936 -16.326
  795   2HD   LYS 100          2HD       LYS 100  -1.688   0.288 -15.303
  796   1HE   LYS 100          1HE       LYS 100  -0.640   0.808 -18.122
  797   2HE   LYS 100          2HE       LYS 100  -2.316   0.388 -17.758
  798   1HZ   LYS 100          1HZ       LYS 100  -2.559   2.405 -16.500
  799   2HZ   LYS 100          2HZ       LYS 100  -0.968   2.791 -16.679
  800   3HZ   LYS 100          3HZ       LYS 100  -1.965   2.781 -17.971
  801    H    VAL 101           H        VAL 101   3.941  -1.551 -12.841
  802    HA   VAL 101           HA       VAL 101   2.803  -1.433 -10.120
  803    HB   VAL 101           HB       VAL 101   5.211  -3.057 -10.986
  804   1HG1  VAL 101          1HG1      VAL 101   3.205  -3.319  -8.688
  805   2HG1  VAL 101          2HG1      VAL 101   4.568  -4.407  -9.003
  806   3HG1  VAL 101          3HG1      VAL 101   4.871  -2.729  -8.547
  807   1HG2  VAL 101          1HG2      VAL 101   3.450  -3.890 -12.409
  808   2HG2  VAL 101          2HG2      VAL 101   3.703  -5.038 -11.115
  809   3HG2  VAL 101          3HG2      VAL 101   2.295  -3.950 -11.060
  810    H    MET 102           H        MET 102   3.873  -0.188  -8.496
  811    HA   MET 102           HA       MET 102   6.598   0.812  -9.098
  812   1HB   MET 102          1HB       MET 102   4.729   2.399  -9.940
  813   2HB   MET 102          2HB       MET 102   4.400   2.731  -8.234
  814   1HG   MET 102          1HG       MET 102   6.748   3.458  -7.934
  815   2HG   MET 102          2HG       MET 102   7.101   3.051  -9.613
  816   1HE   MET 102          1HE       MET 102   5.909   4.332 -11.698
  817   2HE   MET 102          2HE       MET 102   4.271   4.360 -10.995
  818   3HE   MET 102          3HE       MET 102   5.032   5.869 -11.526
  819    H    LEU 103           H        LEU 103   7.757   1.578  -7.258
  820    HA   LEU 103           HA       LEU 103   7.042   0.324  -4.758
  821   1HB   LEU 103          1HB       LEU 103   9.425   0.791  -5.825
  822   2HB   LEU 103          2HB       LEU 103   9.215   2.407  -5.176
  823    HG   LEU 103           HG       LEU 103   8.811   1.266  -2.878
  824   1HD1  LEU 103          1HD1      LEU 103   9.835  -0.981  -2.631
  825   2HD1  LEU 103          2HD1      LEU 103   8.399  -1.047  -3.662
  826   3HD1  LEU 103          3HD1      LEU 103  10.020  -1.101  -4.389
  827   1HD2  LEU 103          1HD2      LEU 103  11.487   1.094  -4.319
  828   2HD2  LEU 103          2HD2      LEU 103  10.842   2.437  -3.340
  829   3HD2  LEU 103          3HD2      LEU 103  11.282   0.915  -2.562
  830    H    PHE 104           H        PHE 104   6.157   1.312  -2.933
  831    HA   PHE 104           HA       PHE 104   4.850   3.759  -3.235
  832   1HB   PHE 104          1HB       PHE 104   4.352   1.782  -1.651
  833   2HB   PHE 104          2HB       PHE 104   5.553   2.467  -0.567
  834    HD1  PHE 104           HD1      PHE 104   4.010   2.817   1.289
  835    HD2  PHE 104           HD2      PHE 104   3.098   4.487  -2.580
  836    HE1  PHE 104           HE1      PHE 104   2.054   4.030   2.234
  837    HE2  PHE 104           HE2      PHE 104   1.217   5.702  -1.637
  838    HZ   PHE 104           HZ       PHE 104   0.582   5.380   0.726
  839    H    GLY 105           H        GLY 105   7.950   2.998  -1.649
  840   1HA   GLY 105          1HA       GLY 105   8.398   5.753  -0.810
  841   2HA   GLY 105          2HA       GLY 105   9.504   4.388  -0.644
  842    H    HIS 106           H        HIS 106   8.187   5.002  -3.855
  843    HA   HIS 106           HA       HIS 106  10.594   5.295  -5.235
  844   1HB   HIS 106          1HB       HIS 106   8.648   4.875  -6.481
  845   2HB   HIS 106          2HB       HIS 106   7.748   6.178  -5.712
  846    HD1  HIS 106           HD1      HIS 106  11.148   6.649  -7.632
  847    HD2  HIS 106           HD2      HIS 106   7.041   7.664  -7.676
  848    HE1  HIS 106           HE1      HIS 106  10.834   8.318  -9.506
  849    H    TRP 107           H        TRP 107   8.468   7.947  -4.020
  850    HA   TRP 107           HA       TRP 107  10.058  10.050  -4.941
  851   1HB   TRP 107          1HB       TRP 107   8.346  10.152  -2.443
  852   2HB   TRP 107          2HB       TRP 107   8.678  11.451  -3.579
  853    HD1  TRP 107           HD1      TRP 107   6.326   8.620  -2.879
  854    HE1  TRP 107           HE1      TRP 107   4.496   8.467  -4.626
  855    HE3  TRP 107           HE3      TRP 107   8.206  11.938  -6.316
  856    HZ2  TRP 107           HZ2      TRP 107   3.878   9.629  -7.207
  857    HZ3  TRP 107           HZ3      TRP 107   6.954  12.399  -8.409
  858    HH2  TRP 107           HH2      TRP 107   4.782  11.263  -8.852
  859    H    ASP 108           H        ASP 108  10.607   7.999  -2.177
  860    HA   ASP 108           HA       ASP 108  12.594   9.903  -1.041
  861   1HB   ASP 108          1HB       ASP 108  10.723   9.028   0.447
  862   2HB   ASP 108          2HB       ASP 108  11.363   7.399   0.209
  863    H    ASN 109           H        ASN 109  13.177   8.902  -3.397
  864    HA   ASN 109           HA       ASN 109  14.665   7.803  -4.580
  865   1HB   ASN 109          1HB       ASN 109  16.180   9.214  -3.284
  866   2HB   ASN 109          2HB       ASN 109  16.369   7.929  -2.078
  867   1HD2  ASN 109          2HD2      ASN 109  16.116   7.029  -5.527
  868   2HD2  ASN 109          1HD2      ASN 109  17.824   6.736  -5.746
  869    H    GLU 110           H        GLU 110  12.793   6.197  -4.136
  870    HA   GLU 110           HA       GLU 110  12.176   4.027  -4.163
  871   1HB   GLU 110          1HB       GLU 110  15.050   3.760  -5.135
  872   2HB   GLU 110          2HB       GLU 110  13.840   2.483  -5.218
  873   1HG   GLU 110          1HG       GLU 110  13.822   3.482  -7.331
  874   2HG   GLU 110          2HG       GLU 110  12.336   3.947  -6.502
  875    H    CYS 111           H        CYS 111  12.532   4.793  -1.629
  876    HA   CYS 111           HA       CYS 111  14.170   2.960  -0.105
  877   1HB   CYS 111          1HB       CYS 111  13.438   5.279   0.565
  878   2HB   CYS 111          2HB       CYS 111  11.781   4.672   0.711
  879    HG   CYS 111           HG       CYS 111  14.539   3.725   2.306
  880    H    GLU 112           H        GLU 112  13.668   0.772   0.045
  881    HA   GLU 112           HA       GLU 112  10.870  -0.134  -0.214
  882   1HB   GLU 112          1HB       GLU 112  11.748  -2.365   0.129
  883   2HB   GLU 112          2HB       GLU 112  12.593  -1.568  -1.191
  884   1HG   GLU 112          1HG       GLU 112  14.582  -1.270   0.126
  885   2HG   GLU 112          2HG       GLU 112  13.745  -1.665   1.630
  886    H    ILE 113           H        ILE 113   9.983  -1.515   1.630
  887    HA   ILE 113           HA       ILE 113  10.710  -0.223   4.228
  888    HB   ILE 113           HB       ILE 113   7.898  -0.838   3.326
  889   1HG1  ILE 113          1HG1      ILE 113   9.448   1.765   2.952
  890   2HG1  ILE 113          2HG1      ILE 113   8.760   0.749   1.686
  891   1HG2  ILE 113          1HG2      ILE 113   7.274   0.711   5.138
  892   2HG2  ILE 113          2HG2      ILE 113   8.207  -0.643   5.732
  893   3HG2  ILE 113          3HG2      ILE 113   8.992   0.937   5.536
  894   1HD1  ILE 113          1HD1      ILE 113   7.243   2.471   3.632
  895   2HD1  ILE 113          2HD1      ILE 113   7.340   2.610   1.873
  896   3HD1  ILE 113          3HD1      ILE 113   6.468   1.246   2.601
  897    HA   PRO 114           HA       PRO 114  10.698  -4.467   5.852
  898   1HB   PRO 114          1HB       PRO 114   9.922  -3.000   8.375
  899   2HB   PRO 114          2HB       PRO 114  11.155  -4.280   8.153
  900   1HG   PRO 114          1HG       PRO 114  11.896  -1.682   8.385
  901   2HG   PRO 114          2HG       PRO 114  12.682  -2.737   7.164
  902   1HD   PRO 114          1HD       PRO 114  10.468  -0.717   6.752
  903   2HD   PRO 114          2HD       PRO 114  11.933  -1.017   5.769
  904    H    ASP 115           H        ASP 115   9.120  -5.788   7.312
  905    HA   ASP 115           HA       ASP 115   6.298  -4.938   6.859
  906   1HB   ASP 115          1HB       ASP 115   6.989  -6.874   5.458
  907   2HB   ASP 115          2HB       ASP 115   7.346  -7.782   6.926
  908    HA   PRO 116           HA       PRO 116   6.668  -5.116  11.266
  909   1HB   PRO 116          1HB       PRO 116   4.292  -4.113  12.054
  910   2HB   PRO 116          2HB       PRO 116   5.436  -3.139  11.086
  911   1HG   PRO 116          1HG       PRO 116   3.036  -4.718  10.101
  912   2HG   PRO 116          2HG       PRO 116   3.463  -3.017   9.728
  913   1HD   PRO 116          1HD       PRO 116   4.129  -5.135   8.087
  914   2HD   PRO 116          2HD       PRO 116   5.151  -3.680   8.229
  915    H    TYR 117           H        TYR 117   4.603  -7.317   9.595
  916    HA   TYR 117           HA       TYR 117   2.807  -8.553  10.321
  917   1HB   TYR 117          1HB       TYR 117   4.653  -9.882   9.494
  918   2HB   TYR 117          2HB       TYR 117   5.356  -9.987  11.100
  919    HD1  TYR 117           HD1      TYR 117   1.889 -10.493   9.663
  920    HD2  TYR 117           HD2      TYR 117   5.109 -12.153  12.009
  921    HE1  TYR 117           HE1      TYR 117   0.531 -12.515  10.080
  922    HE2  TYR 117           HE2      TYR 117   3.766 -14.188  12.418
  923    HH   TYR 117           HH       TYR 117   0.442 -14.609  11.113
  924    H    ARG 118           H        ARG 118   4.903  -9.477  13.095
  925    HA   ARG 118           HA       ARG 118   2.764  -8.597  14.959
  926   1HB   ARG 118          1HB       ARG 118   4.078 -11.346  14.883
  927   2HB   ARG 118          2HB       ARG 118   3.020 -10.806  16.173
  928   1HG   ARG 118          1HG       ARG 118   2.027 -10.984  13.299
  929   2HG   ARG 118          2HG       ARG 118   2.102 -12.373  14.354
  930   1HD   ARG 118          1HD       ARG 118  -0.118 -11.486  14.316
  931   2HD   ARG 118          2HD       ARG 118   0.554 -11.371  15.938
  932    HE   ARG 118           HE       ARG 118  -0.089  -9.163  14.040
  933   1HH1  ARG 118          1HH2      ARG 118   1.050  -9.998  17.328
  934   2HH1  ARG 118          2HH2      ARG 118   0.809  -8.395  17.919
  935   1HH2  ARG 118          1HH1      ARG 118  -0.431  -7.157  14.820
  936   2HH2  ARG 118          2HH1      ARG 118  -0.042  -6.718  16.461
  937    H    LYS 119           H        LYS 119   5.388  -7.499  14.177
  938    HA   LYS 119           HA       LYS 119   7.308  -8.141  16.284
  939   1HB   LYS 119          1HB       LYS 119   7.245  -5.940  14.163
  940   2HB   LYS 119          2HB       LYS 119   8.621  -6.326  15.199
  941   1HG   LYS 119          1HG       LYS 119   8.735  -8.611  14.230
  942   2HG   LYS 119          2HG       LYS 119   7.400  -8.211  13.135
  943   1HD   LYS 119          1HD       LYS 119   8.755  -6.395  12.125
  944   2HD   LYS 119          2HD       LYS 119  10.065  -6.747  13.262
  945   1HE   LYS 119          1HE       LYS 119  10.694  -7.737  11.215
  946   2HE   LYS 119          2HE       LYS 119  10.241  -9.059  12.292
  947   1HZ   LYS 119          1HZ       LYS 119   8.501  -7.906  10.174
  948   2HZ   LYS 119          2HZ       LYS 119   9.353  -9.296  10.036
  949   3HZ   LYS 119          3HZ       LYS 119   8.134  -9.211  11.112
  950    H    SER 120           H        SER 120   8.322  -5.977  17.293
  951    HA   SER 120           HA       SER 120   6.530  -5.156  19.298
  952   1HB   SER 120          1HB       SER 120   9.100  -3.772  18.426
  953   2HB   SER 120          2HB       SER 120   8.377  -3.776  20.045
  954    HG   SER 120           HG       SER 120  10.096  -5.281  19.861
  955    H    ARG 121           H        ARG 121   5.809  -2.990  19.864
  956    HA   ARG 121           HA       ARG 121   4.413  -1.594  17.851
  957   1HB   ARG 121          1HB       ARG 121   5.253  -0.974  20.693
  958   2HB   ARG 121          2HB       ARG 121   4.635   0.339  19.714
  959   1HG   ARG 121          1HG       ARG 121   3.102  -2.255  20.139
  960   2HG   ARG 121          2HG       ARG 121   2.930  -0.827  21.163
  961   1HD   ARG 121          1HD       ARG 121   2.333  -0.947  18.180
  962   2HD   ARG 121          2HD       ARG 121   1.150  -0.920  19.479
  963    HE   ARG 121           HE       ARG 121   3.027   1.288  18.737
  964   1HH1  ARG 121          1HH2      ARG 121  -0.059   0.355  20.273
  965   2HH1  ARG 121          2HH2      ARG 121  -0.618   2.006  20.387
  966   1HH2  ARG 121          1HH1      ARG 121   2.313   3.437  19.067
  967   2HH2  ARG 121          2HH1      ARG 121   0.744   3.746  19.743
  968    H    GLU 122           H        GLU 122   7.750  -1.066  19.024
  969    HA   GLU 122           HA       GLU 122   8.145   1.454  17.837
  970   1HB   GLU 122          1HB       GLU 122   9.648   0.251  19.487
  971   2HB   GLU 122          2HB       GLU 122  10.169  -0.804  18.176
  972   1HG   GLU 122          1HG       GLU 122  11.843   0.871  18.452
  973   2HG   GLU 122          2HG       GLU 122  11.019   1.233  16.945
  974    H    THR 123           H        THR 123   8.402  -1.866  16.453
  975    HA   THR 123           HA       THR 123   9.471  -0.941  13.937
  976    HB   THR 123           HB       THR 123   8.018  -3.564  14.435
  977    HG1  THR 123           1HG      THR 123  10.012  -4.350  15.188
  978   1HG2  THR 123          1HG2      THR 123   8.707  -3.151  12.114
  979   2HG2  THR 123          2HG2      THR 123  10.347  -2.712  12.643
  980   3HG2  THR 123          3HG2      THR 123   9.771  -4.379  12.818
  981    H    PHE 124           H        PHE 124   6.156  -1.762  15.153
  982    HA   PHE 124           HA       PHE 124   4.792  -1.294  12.694
  983   1HB   PHE 124          1HB       PHE 124   4.007  -1.180  15.608
  984   2HB   PHE 124          2HB       PHE 124   2.948  -0.473  14.409
  985    HD1  PHE 124           HD1      PHE 124   1.671  -1.752  12.842
  986    HD2  PHE 124           HD2      PHE 124   4.410  -3.691  15.558
  987    HE1  PHE 124           HE1      PHE 124   0.628  -3.951  12.344
  988    HE2  PHE 124           HE2      PHE 124   3.357  -5.876  15.049
  989    HZ   PHE 124           HZ       PHE 124   1.452  -5.999  13.457
  990    H    ALA 125           H        ALA 125   5.718   1.014  15.326
  991    HA   ALA 125           HA       ALA 125   4.522   3.278  14.108
  992   1HB   ALA 125          1HB       ALA 125   5.208   3.199  16.478
  993   2HB   ALA 125          2HB       ALA 125   6.919   3.131  15.993
  994   3HB   ALA 125          3HB       ALA 125   5.951   4.576  15.641
  995    H    ALA 126           H        ALA 126   7.872   1.949  13.808
  996    HA   ALA 126           HA       ALA 126   8.894   4.033  12.184
  997   1HB   ALA 126          1HB       ALA 126   9.643   1.072  12.228
  998   2HB   ALA 126          2HB       ALA 126  10.614   2.384  11.533
  999   3HB   ALA 126          3HB       ALA 126  10.312   2.339  13.280
 1000    H    VAL 127           H        VAL 127   7.408   0.882  11.212
 1001    HA   VAL 127           HA       VAL 127   7.484   1.362   8.422
 1002    HB   VAL 127           HB       VAL 127   5.702  -0.378  10.174
 1003   1HG1  VAL 127          1HG1      VAL 127   4.473   0.055   8.076
 1004   2HG1  VAL 127          2HG1      VAL 127   5.910  -0.418   7.132
 1005   3HG1  VAL 127          3HG1      VAL 127   5.053  -1.596   8.144
 1006   1HG2  VAL 127          1HG2      VAL 127   7.115  -2.210   9.315
 1007   2HG2  VAL 127          2HG2      VAL 127   8.034  -1.067   8.317
 1008   3HG2  VAL 127          3HG2      VAL 127   8.133  -0.990  10.085
 1009    H    TYR 128           H        TYR 128   4.874   2.081  10.850
 1010    HA   TYR 128           HA       TYR 128   3.026   3.137   9.022
 1011   1HB   TYR 128          1HB       TYR 128   2.623   2.595  11.435
 1012   2HB   TYR 128          2HB       TYR 128   3.499   4.050  11.890
 1013    HD1  TYR 128           HD1      TYR 128   0.297   2.670  11.137
 1014    HD2  TYR 128           HD2      TYR 128   2.569   6.333  10.850
 1015    HE1  TYR 128           HE1      TYR 128  -1.802   3.970  10.980
 1016    HE2  TYR 128           HE2      TYR 128   0.511   7.613  10.566
 1017    HH   TYR 128           HH       TYR 128  -1.847   7.540  10.641
 1018    H    THR 129           H        THR 129   5.739   4.814  10.734
 1019    HA   THR 129           HA       THR 129   5.149   7.398   9.732
 1020    HB   THR 129           HB       THR 129   7.858   6.223  10.504
 1021    HG1  THR 129           1HG      THR 129   6.427   5.953  12.182
 1022   1HG2  THR 129          1HG2      THR 129   6.842   9.104  10.481
 1023   2HG2  THR 129          2HG2      THR 129   8.398   8.561  11.156
 1024   3HG2  THR 129          3HG2      THR 129   8.093   8.422   9.420
 1025    H    LEU 130           H        LEU 130   7.190   4.750   8.355
 1026    HA   LEU 130           HA       LEU 130   8.118   6.242   6.115
 1027   1HB   LEU 130          1HB       LEU 130   8.660   3.764   7.128
 1028   2HB   LEU 130          2HB       LEU 130   7.565   3.292   5.860
 1029    HG   LEU 130           HG       LEU 130   9.640   3.085   4.898
 1030   1HD1  LEU 130          1HD1      LEU 130   9.975   4.717   3.153
 1031   2HD1  LEU 130          2HD1      LEU 130   8.240   4.495   3.376
 1032   3HD1  LEU 130          3HD1      LEU 130   9.033   5.941   4.021
 1033   1HD2  LEU 130          1HD2      LEU 130  10.953   4.140   6.680
 1034   2HD2  LEU 130          2HD2      LEU 130  11.503   4.707   5.100
 1035   3HD2  LEU 130          3HD2      LEU 130  10.484   5.754   6.113
 1036    H    LEU 131           H        LEU 131   5.257   4.113   6.567
 1037    HA   LEU 131           HA       LEU 131   4.243   4.391   3.910
 1038   1HB   LEU 131          1HB       LEU 131   3.133   3.458   6.557
 1039   2HB   LEU 131          2HB       LEU 131   1.993   3.905   5.296
 1040    HG   LEU 131           HG       LEU 131   3.027   2.341   3.715
 1041   1HD1  LEU 131          1HD1      LEU 131   5.334   2.229   4.676
 1042   2HD1  LEU 131          2HD1      LEU 131   4.689   1.328   6.046
 1043   3HD1  LEU 131          3HD1      LEU 131   4.616   0.632   4.417
 1044   1HD2  LEU 131          1HD2      LEU 131   2.181   0.284   4.783
 1045   2HD2  LEU 131          2HD2      LEU 131   2.207   1.084   6.370
 1046   3HD2  LEU 131          3HD2      LEU 131   1.113   1.653   5.091
 1047    H    GLU 132           H        GLU 132   3.708   6.375   6.870
 1048    HA   GLU 132           HA       GLU 132   1.720   8.031   5.704
 1049   1HB   GLU 132          1HB       GLU 132   2.347   7.830   8.187
 1050   2HB   GLU 132          2HB       GLU 132   3.729   8.882   7.834
 1051   1HG   GLU 132          1HG       GLU 132   2.013  10.525   6.829
 1052   2HG   GLU 132          2HG       GLU 132   0.766   9.484   7.515
 1053    H    ARG 133           H        ARG 133   5.300   8.491   5.941
 1054    HA   ARG 133           HA       ARG 133   5.408  10.900   4.446
 1055   1HB   ARG 133          1HB       ARG 133   7.390   8.576   4.589
 1056   2HB   ARG 133          2HB       ARG 133   7.706  10.088   3.725
 1057   1HG   ARG 133          1HG       ARG 133   7.363  11.368   5.825
 1058   2HG   ARG 133          2HG       ARG 133   7.071   9.848   6.681
 1059   1HD   ARG 133          1HD       ARG 133   9.358  10.571   7.073
 1060   2HD   ARG 133          2HD       ARG 133   9.352   9.081   6.132
 1061    HE   ARG 133           HE       ARG 133   9.804  11.836   5.036
 1062   1HH1  ARG 133          1HH2      ARG 133  10.607   8.371   4.939
 1063   2HH1  ARG 133          2HH2      ARG 133  11.767   8.536   3.656
 1064   1HH2  ARG 133          1HH1      ARG 133  11.395  12.049   3.395
 1065   2HH2  ARG 133          2HH1      ARG 133  12.226  10.653   2.781
 1066    H    SER 134           H        SER 134   5.503   7.528   3.301
 1067    HA   SER 134           HA       SER 134   5.771   8.144   0.541
 1068   1HB   SER 134          1HB       SER 134   4.429   5.728   1.812
 1069   2HB   SER 134          2HB       SER 134   5.051   5.847   0.152
 1070    HG   SER 134           HG       SER 134   6.493   5.900   2.604
 1071    H    ALA 135           H        ALA 135   2.779   7.563   2.496
 1072    HA   ALA 135           HA       ALA 135   0.962   7.907   0.360
 1073   1HB   ALA 135          1HB       ALA 135  -0.720   8.254   2.127
 1074   2HB   ALA 135          2HB       ALA 135   0.348   6.900   2.545
 1075   3HB   ALA 135          3HB       ALA 135   0.565   8.478   3.334
 1076    H    ARG 136           H        ARG 136   2.341  10.322   2.674
 1077    HA   ARG 136           HA       ARG 136   0.836  12.557   1.702
 1078   1HB   ARG 136          1HB       ARG 136   3.547  12.293   3.062
 1079   2HB   ARG 136          2HB       ARG 136   2.849  13.858   2.631
 1080   1HG   ARG 136          1HG       ARG 136   0.926  13.456   4.102
 1081   2HG   ARG 136          2HG       ARG 136   1.547  11.846   4.507
 1082   1HD   ARG 136          1HD       ARG 136   3.651  12.893   5.360
 1083   2HD   ARG 136          2HD       ARG 136   2.971  14.493   5.057
 1084    HE   ARG 136           HE       ARG 136   2.357  12.619   7.233
 1085   1HH1  ARG 136          1HH2      ARG 136   1.155  15.546   5.585
 1086   2HH1  ARG 136          2HH2      ARG 136   0.314  16.112   6.980
 1087   1HH2  ARG 136          1HH1      ARG 136   1.351  13.308   8.953
 1088   2HH2  ARG 136          2HH1      ARG 136   0.410  14.791   9.012
 1089    H    GLN 137           H        GLN 137   4.071  11.254   0.712
 1090    HA   GLN 137           HA       GLN 137   4.587  13.279  -1.204
 1091   1HB   GLN 137          1HB       GLN 137   5.529  10.392  -1.027
 1092   2HB   GLN 137          2HB       GLN 137   6.168  11.561  -2.177
 1093   1HG   GLN 137          1HG       GLN 137   6.242  12.139   0.806
 1094   2HG   GLN 137          2HG       GLN 137   7.444  11.112   0.036
 1095   1HE2  GLN 137          2HE2      GLN 137   8.960  12.757   0.867
 1096   2HE2  GLN 137          1HE2      GLN 137   9.220  14.210  -0.070
 1097    H    TRP 138           H        TRP 138   3.080  10.011  -1.635
 1098    HA   TRP 138           HA       TRP 138   2.569  10.298  -4.394
 1099   1HB   TRP 138          1HB       TRP 138   1.440   8.588  -2.193
 1100   2HB   TRP 138          2HB       TRP 138   0.561   8.688  -3.712
 1101    HD1  TRP 138           HD1      TRP 138   3.768   7.256  -2.259
 1102    HE1  TRP 138           HE1      TRP 138   4.952   5.811  -3.966
 1103    HE3  TRP 138           HE3      TRP 138   0.826   8.288  -6.317
 1104    HZ2  TRP 138           HZ2      TRP 138   4.580   5.047  -6.759
 1105    HZ3  TRP 138           HZ3      TRP 138   1.250   7.169  -8.489
 1106    HH2  TRP 138           HH2      TRP 138   3.116   5.548  -8.719
 1107    H    ALA 139           H        ALA 139   0.393  11.108  -1.589
 1108    HA   ALA 139           HA       ALA 139  -1.718  12.130  -3.126
 1109   1HB   ALA 139          1HB       ALA 139  -1.906  11.746  -0.728
 1110   2HB   ALA 139          2HB       ALA 139  -0.687  12.997  -0.388
 1111   3HB   ALA 139          3HB       ALA 139  -2.253  13.456  -1.074
 1112    H    GLN 140           H        GLN 140   1.234  13.848  -1.948
 1113    HA   GLN 140           HA       GLN 140   0.529  16.400  -2.919
 1114   1HB   GLN 140          1HB       GLN 140   2.260  16.039  -1.262
 1115   2HB   GLN 140          2HB       GLN 140   3.215  15.076  -2.384
 1116   1HG   GLN 140          1HG       GLN 140   4.236  17.219  -2.116
 1117   2HG   GLN 140          2HG       GLN 140   3.654  17.080  -3.766
 1118   1HE2  GLN 140          2HE2      GLN 140   1.579  18.254  -4.323
 1119   2HE2  GLN 140          1HE2      GLN 140   1.191  19.708  -3.423
 1120    H    ALA 141           H        ALA 141   2.191  13.675  -4.593
 1121    HA   ALA 141           HA       ALA 141   2.730  15.152  -6.983
 1122   1HB   ALA 141          1HB       ALA 141   3.107  12.935  -7.976
 1123   2HB   ALA 141          2HB       ALA 141   3.938  13.111  -6.415
 1124   3HB   ALA 141          3HB       ALA 141   2.444  12.156  -6.526
 1125    H    LEU 142           H        LEU 142   0.225  12.777  -6.120
 1126    HA   LEU 142           HA       LEU 142  -1.204  12.745  -8.535
 1127   1HB   LEU 142          1HB       LEU 142  -2.005  12.199  -5.651
 1128   2HB   LEU 142          2HB       LEU 142  -3.074  11.858  -6.997
 1129    HG   LEU 142           HG       LEU 142  -0.307  10.610  -6.785
 1130   1HD1  LEU 142          1HD1      LEU 142  -1.647   9.970  -4.806
 1131   2HD1  LEU 142          2HD1      LEU 142  -2.983   9.486  -5.871
 1132   3HD1  LEU 142          3HD1      LEU 142  -1.454   8.597  -5.907
 1133   1HD2  LEU 142          1HD2      LEU 142  -1.345  10.574  -9.042
 1134   2HD2  LEU 142          2HD2      LEU 142  -1.180   8.961  -8.331
 1135   3HD2  LEU 142          3HD2      LEU 142  -2.768   9.750  -8.358
 1136    H    ASN 143           H        ASN 143  -1.708  14.774  -5.635
 1137    HA   ASN 143           HA       ASN 143  -4.158  15.902  -6.256
 1138   1HB   ASN 143          1HB       ASN 143  -3.108  16.093  -4.075
 1139   2HB   ASN 143          2HB       ASN 143  -1.787  17.057  -4.744
 1140   1HD2  ASN 143          2HD2      ASN 143  -2.006  19.232  -4.310
 1141   2HD2  ASN 143          1HD2      ASN 143  -3.525  20.068  -4.133
 1142    H    ALA 144           H        ALA 144  -1.087  16.687  -7.774
 1143    HA   ALA 144           HA       ALA 144  -2.522  18.681  -9.421
 1144   1HB   ALA 144          1HB       ALA 144  -1.184  19.956  -7.768
 1145   2HB   ALA 144          2HB       ALA 144   0.286  19.129  -8.324
 1146   3HB   ALA 144          3HB       ALA 144  -0.602  20.199  -9.423
 1147    H    GLU 145           H        GLU 145  -1.997  15.904  -9.752
 1148    HA   GLU 145           HA       GLU 145  -1.407  14.428 -11.348
 1149   1HB   GLU 145          1HB       GLU 145  -3.122  16.117 -12.268
 1150   2HB   GLU 145          2HB       GLU 145  -1.806  16.757 -13.252
 1151   1HG   GLU 145          1HG       GLU 145  -1.508  14.410 -14.202
 1152   2HG   GLU 145          2HG       GLU 145  -2.892  13.906 -13.244
 1153    H    GLN 146           H        GLN 146   0.930  15.317 -10.172
 1154    HA   GLN 146           HA       GLN 146   2.901  15.805 -12.273
 1155   1HB   GLN 146          1HB       GLN 146   3.125  15.160  -9.309
 1156   2HB   GLN 146          2HB       GLN 146   4.525  15.366 -10.357
 1157   1HG   GLN 146          1HG       GLN 146   4.325  17.635 -10.484
 1158   2HG   GLN 146          2HG       GLN 146   2.571  17.611 -10.554
 1159   1HE2  GLN 146          2HE2      GLN 146   1.471  16.835  -8.403
 1160   2HE2  GLN 146          1HE2      GLN 146   2.101  17.541  -6.947
 1161    H    VAL 147           H        VAL 147   4.415  14.290 -12.951
 1162    HA   VAL 147           HA       VAL 147   3.781  11.428 -12.704
 1163    HB   VAL 147           HB       VAL 147   3.773  11.385 -15.264
 1164   1HG1  VAL 147          1HG1      VAL 147   1.721  11.039 -13.903
 1165   2HG1  VAL 147          2HG1      VAL 147   1.390  12.783 -13.968
 1166   3HG1  VAL 147          3HG1      VAL 147   1.382  11.816 -15.452
 1167   1HG2  VAL 147          1HG2      VAL 147   4.566  13.717 -15.690
 1168   2HG2  VAL 147          2HG2      VAL 147   3.020  13.382 -16.475
 1169   3HG2  VAL 147          3HG2      VAL 147   3.060  14.356 -14.992
  Start of MODEL   15
    1    H    MET   1           H        MET   1  -3.777   9.461 -15.725
    2    HA   MET   1           HA       MET   1  -3.051  10.890 -13.969
    3   1HB   MET   1          1HB       MET   1  -4.825  12.593 -14.320
    4   2HB   MET   1          2HB       MET   1  -6.023  11.521 -13.597
    5   1HG   MET   1          1HG       MET   1  -3.531  12.451 -12.115
    6   2HG   MET   1          2HG       MET   1  -5.010  13.400 -12.182
    7   1HE   MET   1          1HE       MET   1  -4.780  13.434  -9.421
    8   2HE   MET   1          2HE       MET   1  -4.762  11.920  -8.482
    9   3HE   MET   1          3HE       MET   1  -3.390  12.336  -9.550
   10    H    PHE   2           H        PHE   2  -2.695   9.879 -11.987
   11    HA   PHE   2           HA       PHE   2  -3.404   7.132 -11.758
   12   1HB   PHE   2          1HB       PHE   2  -2.094   8.906  -9.683
   13   2HB   PHE   2          2HB       PHE   2  -1.933   7.165  -9.842
   14    HD1  PHE   2           HD1      PHE   2  -0.053   9.943 -10.038
   15    HD2  PHE   2           HD2      PHE   2  -1.201   6.672 -12.617
   16    HE1  PHE   2           HE1      PHE   2   2.025  10.241 -11.349
   17    HE2  PHE   2           HE2      PHE   2   0.877   6.990 -13.929
   18    HZ   PHE   2           HZ       PHE   2   2.498   8.766 -13.295
   19    H    ASN   3           H        ASN   3  -5.860   8.315 -11.710
   20    HA   ASN   3           HA       ASN   3  -6.847   9.001  -9.122
   21   1HB   ASN   3          1HB       ASN   3  -8.988   9.130 -10.159
   22   2HB   ASN   3          2HB       ASN   3  -7.843   9.711 -11.363
   23   1HD2  ASN   3          2HD2      ASN   3  -7.155   7.969 -13.104
   24   2HD2  ASN   3          1HD2      ASN   3  -8.383   6.811 -13.529
   25    H    ASN   4           H        ASN   4  -6.271   5.916 -10.584
   26    HA   ASN   4           HA       ASN   4  -8.039   4.565  -8.566
   27   1HB   ASN   4          1HB       ASN   4  -8.895   4.743 -10.952
   28   2HB   ASN   4          2HB       ASN   4  -7.487   3.814 -11.471
   29   1HD2  ASN   4          2HD2      ASN   4  -8.969   2.229 -12.320
   30   2HD2  ASN   4          1HD2      ASN   4  -9.614   1.015 -11.243
   31    H    ILE   5           H        ILE   5  -6.562   3.774  -7.093
   32    HA   ILE   5           HA       ILE   5  -4.026   2.596  -8.156
   33    HB   ILE   5           HB       ILE   5  -4.675   4.232  -5.689
   34   1HG1  ILE   5          1HG1      ILE   5  -2.460   4.857  -7.645
   35   2HG1  ILE   5          2HG1      ILE   5  -4.113   5.274  -8.077
   36   1HG2  ILE   5          1HG2      ILE   5  -2.018   2.853  -6.308
   37   2HG2  ILE   5          2HG2      ILE   5  -2.246   4.085  -5.053
   38   3HG2  ILE   5          3HG2      ILE   5  -3.069   2.546  -4.909
   39   1HD1  ILE   5          1HD1      ILE   5  -2.750   6.203  -5.518
   40   2HD1  ILE   5          2HD1      ILE   5  -2.922   7.139  -7.008
   41   3HD1  ILE   5          3HD1      ILE   5  -4.373   6.649  -6.106
   42    H    LEU   6           H        LEU   6  -3.147   0.767  -7.147
   43    HA   LEU   6           HA       LEU   6  -4.815  -0.564  -5.034
   44   1HB   LEU   6          1HB       LEU   6  -4.559  -1.589  -7.558
   45   2HB   LEU   6          2HB       LEU   6  -3.098  -2.223  -6.844
   46    HG   LEU   6           HG       LEU   6  -5.983  -2.740  -6.048
   47   1HD1  LEU   6          1HD1      LEU   6  -5.019  -4.028  -7.955
   48   2HD1  LEU   6          2HD1      LEU   6  -3.702  -4.567  -6.910
   49   3HD1  LEU   6          3HD1      LEU   6  -5.373  -5.073  -6.570
   50   1HD2  LEU   6          1HD2      LEU   6  -5.145  -4.309  -4.317
   51   2HD2  LEU   6          2HD2      LEU   6  -3.516  -3.637  -4.520
   52   3HD2  LEU   6          3HD2      LEU   6  -4.844  -2.630  -3.916
   53    H    VAL   7           H        VAL   7  -3.556  -1.229  -3.264
   54    HA   VAL   7           HA       VAL   7  -0.594  -0.937  -3.481
   55    HB   VAL   7           HB       VAL   7  -2.289  -0.662  -0.967
   56   1HG1  VAL   7          1HG1      VAL   7   0.575   0.168  -1.645
   57   2HG1  VAL   7          2HG1      VAL   7  -0.254   0.399  -0.095
   58   3HG1  VAL   7          3HG1      VAL   7   0.114  -1.232  -0.655
   59   1HG2  VAL   7          1HG2      VAL   7  -2.970   1.205  -2.393
   60   2HG2  VAL   7          2HG2      VAL   7  -1.899   1.803  -1.130
   61   3HG2  VAL   7          3HG2      VAL   7  -1.276   1.577  -2.782
   62    H    VAL   8           H        VAL   8   0.600  -2.745  -2.965
   63    HA   VAL   8           HA       VAL   8  -0.945  -5.155  -2.127
   64    HB   VAL   8           HB       VAL   8   1.292  -5.130  -4.168
   65   1HG1  VAL   8          1HG1      VAL   8   0.262  -7.240  -4.896
   66   2HG1  VAL   8          2HG1      VAL   8   0.643  -7.314  -3.174
   67   3HG1  VAL   8          3HG1      VAL   8  -1.037  -7.046  -3.698
   68   1HG2  VAL   8          1HG2      VAL   8  -1.662  -4.746  -4.728
   69   2HG2  VAL   8          2HG2      VAL   8  -0.341  -3.645  -5.175
   70   3HG2  VAL   8          3HG2      VAL   8  -0.467  -5.215  -5.950
   71    H    CYS   9           H        CYS   9  -0.001  -6.485  -0.628
   72    HA   CYS   9           HA       CYS   9   2.929  -6.409  -0.221
   73   1HB   CYS   9          1HB       CYS   9   0.832  -5.667   1.840
   74   2HB   CYS   9          2HB       CYS   9   2.295  -6.507   2.369
   75    HG   CYS   9           HG       CYS   9   2.379  -3.944   0.304
   76    H    VAL  10           H        VAL  10   3.415  -8.226   1.623
   77    HA   VAL  10           HA       VAL  10   1.903 -10.659   0.755
   78    HB   VAL  10           HB       VAL  10   3.590 -11.873   2.118
   79   1HG1  VAL  10          1HG1      VAL  10   4.658 -10.148  -0.153
   80   2HG1  VAL  10          2HG1      VAL  10   5.446 -11.609   0.483
   81   3HG1  VAL  10          3HG1      VAL  10   3.854 -11.720  -0.282
   82   1HG2  VAL  10          1HG2      VAL  10   5.026  -9.187   2.357
   83   2HG2  VAL  10          2HG2      VAL  10   4.346 -10.146   3.679
   84   3HG2  VAL  10          3HG2      VAL  10   5.710 -10.775   2.755
   85    H    GLY  11           H        GLY  11   0.651 -11.781   2.377
   86   1HA   GLY  11          1HA       GLY  11  -0.556 -12.019   4.300
   87   2HA   GLY  11          2HA       GLY  11   0.458 -10.806   5.089
   88    H    ASN  12           H        ASN  12  -0.031  -8.545   3.493
   89    HA   ASN  12           HA       ASN  12  -1.380  -6.814   3.183
   90   1HB   ASN  12          1HB       ASN  12  -2.284  -7.820   1.396
   91   2HB   ASN  12          2HB       ASN  12  -3.130  -9.060   2.301
   92   1HD2  ASN  12          2HD2      ASN  12  -3.379  -5.429   2.547
   93   2HD2  ASN  12          1HD2      ASN  12  -5.110  -5.469   2.330
   94    H    ILE  13           H        ILE  13  -2.272  -8.890   5.779
   95    HA   ILE  13           HA       ILE  13  -4.251  -7.391   7.012
   96    HB   ILE  13           HB       ILE  13  -3.463  -8.452   9.102
   97   1HG1  ILE  13          1HG1      ILE  13  -1.074  -9.415   7.453
   98   2HG1  ILE  13          2HG1      ILE  13  -1.021  -8.233   8.759
   99   1HG2  ILE  13          1HG2      ILE  13  -3.896 -10.724   8.442
  100   2HG2  ILE  13          2HG2      ILE  13  -4.867  -9.665   7.434
  101   3HG2  ILE  13          3HG2      ILE  13  -3.397 -10.407   6.771
  102   1HD1  ILE  13          1HD1      ILE  13  -1.675 -11.193   8.999
  103   2HD1  ILE  13          2HD1      ILE  13  -0.266 -10.331   9.629
  104   3HD1  ILE  13          3HD1      ILE  13  -1.869 -10.027  10.331
  105    H    CYS  14           H        CYS  14  -1.376  -5.816   6.202
  106    HA   CYS  14           HA       CYS  14  -1.630  -4.005   8.535
  107   1HB   CYS  14          1HB       CYS  14   0.864  -4.165   8.944
  108   2HB   CYS  14          2HB       CYS  14  -0.115  -5.549   9.447
  109    HG   CYS  14           HG       CYS  14   2.127  -6.471   8.567
  110    H    ARG  15           H        ARG  15   0.958  -4.334   5.991
  111    HA   ARG  15           HA       ARG  15   1.200  -1.491   6.013
  112   1HB   ARG  15          1HB       ARG  15   2.265  -3.554   4.053
  113   2HB   ARG  15          2HB       ARG  15   2.710  -1.838   4.040
  114   1HG   ARG  15          1HG       ARG  15   3.474  -2.148   6.456
  115   2HG   ARG  15          2HG       ARG  15   3.301  -3.890   6.213
  116   1HD   ARG  15          1HD       ARG  15   5.111  -2.003   4.634
  117   2HD   ARG  15          2HD       ARG  15   5.615  -3.142   5.882
  118    HE   ARG  15           HE       ARG  15   4.199  -4.315   3.576
  119   1HH1  ARG  15          1HH2      ARG  15   7.426  -3.549   4.983
  120   2HH1  ARG  15          2HH2      ARG  15   8.220  -4.670   3.902
  121   1HH2  ARG  15          1HH1      ARG  15   5.480  -5.811   2.170
  122   2HH2  ARG  15          2HH1      ARG  15   7.180  -5.907   2.511
  123    H    SER  16           H        SER  16  -0.207  -3.610   3.411
  124    HA   SER  16           HA       SER  16  -0.637  -1.440   1.690
  125   1HB   SER  16          1HB       SER  16  -2.412  -3.083   0.669
  126   2HB   SER  16          2HB       SER  16  -0.676  -3.355   0.544
  127    HG   SER  16           HG       SER  16  -1.718  -5.227   1.128
  128    HA   PRO  17           HA       PRO  17  -5.038  -0.785   3.298
  129   1HB   PRO  17          1HB       PRO  17  -5.750  -1.473   5.862
  130   2HB   PRO  17          2HB       PRO  17  -5.989  -2.498   4.416
  131   1HG   PRO  17          1HG       PRO  17  -3.727  -2.619   6.417
  132   2HG   PRO  17          2HG       PRO  17  -4.706  -3.973   5.780
  133   1HD   PRO  17          1HD       PRO  17  -2.296  -3.429   4.724
  134   2HD   PRO  17          2HD       PRO  17  -3.654  -3.865   3.661
  135    H    THR  18           H        THR  18  -2.296  -0.578   5.613
  136    HA   THR  18           HA       THR  18  -3.209   1.859   6.872
  137    HB   THR  18           HB       THR  18  -0.394   0.722   6.528
  138    HG1  THR  18           1HG      THR  18  -1.497  -0.735   7.669
  139   1HG2  THR  18          1HG2      THR  18  -0.320   3.091   7.209
  140   2HG2  THR  18          2HG2      THR  18  -1.490   2.767   8.508
  141   3HG2  THR  18          3HG2      THR  18   0.136   2.038   8.552
  142    H    ALA  19           H        ALA  19  -0.948   1.149   4.133
  143    HA   ALA  19           HA       ALA  19  -0.462   3.845   3.371
  144   1HB   ALA  19          1HB       ALA  19  -0.402   1.157   1.983
  145   2HB   ALA  19          2HB       ALA  19  -0.195   2.649   1.052
  146   3HB   ALA  19          3HB       ALA  19   0.944   2.254   2.374
  147    H    GLU  20           H        GLU  20  -2.970   1.505   2.243
  148    HA   GLU  20           HA       GLU  20  -4.117   3.165   0.288
  149   1HB   GLU  20          1HB       GLU  20  -4.600   0.800   0.433
  150   2HB   GLU  20          2HB       GLU  20  -5.306   0.991   2.039
  151   1HG   GLU  20          1HG       GLU  20  -6.744   2.736   0.229
  152   2HG   GLU  20          2HG       GLU  20  -6.565   1.179  -0.540
  153    H    ARG  21           H        ARG  21  -5.069   2.780   3.787
  154    HA   ARG  21           HA       ARG  21  -7.093   4.785   3.529
  155   1HB   ARG  21          1HB       ARG  21  -5.711   3.501   5.897
  156   2HB   ARG  21          2HB       ARG  21  -6.890   4.801   6.106
  157   1HG   ARG  21          1HG       ARG  21  -7.485   2.184   4.667
  158   2HG   ARG  21          2HG       ARG  21  -7.836   2.542   6.358
  159   1HD   ARG  21          1HD       ARG  21  -9.107   4.641   5.422
  160   2HD   ARG  21          2HD       ARG  21  -9.148   3.772   3.886
  161    HE   ARG  21           HE       ARG  21 -10.516   3.156   6.418
  162   1HH1  ARG  21          1HH2      ARG  21  -9.580   1.686   3.263
  163   2HH1  ARG  21          2HH2      ARG  21 -10.730   0.411   3.439
  164   1HH2  ARG  21          1HH1      ARG  21 -11.826   1.437   6.667
  165   2HH2  ARG  21          2HH1      ARG  21 -12.077   0.263   5.412
  166    H    LEU  22           H        LEU  22  -3.619   5.064   4.403
  167    HA   LEU  22           HA       LEU  22  -3.724   7.802   5.223
  168   1HB   LEU  22          1HB       LEU  22  -1.601   6.058   3.934
  169   2HB   LEU  22          2HB       LEU  22  -1.318   7.774   4.156
  170    HG   LEU  22           HG       LEU  22  -2.116   6.024   6.507
  171   1HD1  LEU  22          1HD1      LEU  22  -0.121   5.007   5.555
  172   2HD1  LEU  22          2HD1      LEU  22   0.673   6.582   5.409
  173   3HD1  LEU  22          3HD1      LEU  22   0.334   5.894   7.017
  174   1HD2  LEU  22          1HD2      LEU  22  -0.932   7.825   7.767
  175   2HD2  LEU  22          2HD2      LEU  22  -0.656   8.701   6.252
  176   3HD2  LEU  22          3HD2      LEU  22  -2.308   8.456   6.857
  177    H    LEU  23           H        LEU  23  -3.194   6.337   1.973
  178    HA   LEU  23           HA       LEU  23  -3.123   8.798   0.519
  179   1HB   LEU  23          1HB       LEU  23  -3.925   5.963  -0.247
  180   2HB   LEU  23          2HB       LEU  23  -3.818   7.275  -1.415
  181    HG   LEU  23           HG       LEU  23  -1.439   6.475   0.309
  182   1HD1  LEU  23          1HD1      LEU  23  -1.871   4.470  -0.837
  183   2HD1  LEU  23          2HD1      LEU  23  -2.425   5.314  -2.318
  184   3HD1  LEU  23          3HD1      LEU  23  -0.714   5.314  -1.887
  185   1HD2  LEU  23          1HD2      LEU  23  -0.163   7.545  -1.478
  186   2HD2  LEU  23          2HD2      LEU  23  -1.658   7.976  -2.334
  187   3HD2  LEU  23          3HD2      LEU  23  -1.284   8.698  -0.750
  188    H    GLN  24           H        GLN  24  -5.830   6.653   1.450
  189    HA   GLN  24           HA       GLN  24  -7.833   7.986  -0.037
  190   1HB   GLN  24          1HB       GLN  24  -7.858   5.649   1.025
  191   2HB   GLN  24          2HB       GLN  24  -8.147   6.444   2.574
  192   1HG   GLN  24          1HG       GLN  24 -10.211   5.602   1.669
  193   2HG   GLN  24          2HG       GLN  24 -10.255   7.362   1.704
  194   1HE2  GLN  24          2HE2      GLN  24 -11.982   7.194   0.156
  195   2HE2  GLN  24          1HE2      GLN  24 -11.592   7.063  -1.559
  196    H    ARG  25           H        ARG  25  -6.618   8.498   3.335
  197    HA   ARG  25           HA       ARG  25  -8.472  10.532   4.015
  198   1HB   ARG  25          1HB       ARG  25  -7.219   9.455   5.729
  199   2HB   ARG  25          2HB       ARG  25  -5.669   9.859   4.994
  200   1HG   ARG  25          1HG       ARG  25  -5.814  12.148   5.574
  201   2HG   ARG  25          2HG       ARG  25  -7.542  12.056   5.943
  202   1HD   ARG  25          1HD       ARG  25  -5.428  10.529   7.516
  203   2HD   ARG  25          2HD       ARG  25  -5.965  12.169   7.939
  204    HE   ARG  25           HE       ARG  25  -8.308  10.751   7.662
  205   1HH1  ARG  25          1HH2      ARG  25  -5.473  10.435   9.765
  206   2HH1  ARG  25          2HH2      ARG  25  -6.335   9.768  11.101
  207   1HH2  ARG  25          1HH1      ARG  25  -9.474   9.837   9.350
  208   2HH2  ARG  25          2HH1      ARG  25  -8.700   9.276  10.782
  209    H    TYR  26           H        TYR  26  -5.179  10.743   2.513
  210    HA   TYR  26           HA       TYR  26  -5.259  13.569   2.265
  211   1HB   TYR  26          1HB       TYR  26  -3.753  11.486   0.643
  212   2HB   TYR  26          2HB       TYR  26  -3.533  13.221   0.479
  213    HD1  TYR  26           HD1      TYR  26  -3.253  14.457   2.956
  214    HD2  TYR  26           HD2      TYR  26  -2.002  10.472   1.870
  215    HE1  TYR  26           HE1      TYR  26  -1.588  14.485   4.783
  216    HE2  TYR  26           HE2      TYR  26  -0.332  10.497   3.692
  217    HH   TYR  26           HH       TYR  26   0.574  11.690   5.445
  218    H    HIS  27           H        HIS  27  -6.531  11.026   0.092
  219    HA   HIS  27           HA       HIS  27  -7.831  13.124  -1.575
  220   1HB   HIS  27          1HB       HIS  27  -6.103  10.812  -2.518
  221   2HB   HIS  27          2HB       HIS  27  -7.210  11.718  -3.549
  222    HD1  HIS  27           HD1      HIS  27  -6.591  14.356  -3.998
  223    HD2  HIS  27           HD2      HIS  27  -3.776  12.006  -1.924
  224    HE1  HIS  27           HE1      HIS  27  -4.427  15.693  -3.956
  225    HA   PRO  28           HA       PRO  28 -10.845   9.774  -0.504
  226   1HB   PRO  28          1HB       PRO  28 -12.960  11.359   0.229
  227   2HB   PRO  28          2HB       PRO  28 -11.639  10.902   1.348
  228   1HG   PRO  28          1HG       PRO  28 -11.924  13.466  -0.248
  229   2HG   PRO  28          2HG       PRO  28 -11.537  13.283   1.493
  230   1HD   PRO  28          1HD       PRO  28  -9.599  13.663  -0.386
  231   2HD   PRO  28          2HD       PRO  28  -9.330  12.598   1.024
  232    H    GLU  29           H        GLU  29 -10.702  12.513  -2.655
  233    HA   GLU  29           HA       GLU  29 -13.072  11.813  -4.208
  234   1HB   GLU  29          1HB       GLU  29 -10.777  13.757  -4.714
  235   2HB   GLU  29          2HB       GLU  29 -12.227  13.612  -5.716
  236   1HG   GLU  29          1HG       GLU  29 -13.639  14.188  -3.739
  237   2HG   GLU  29          2HG       GLU  29 -12.176  14.441  -2.783
  238    H    LEU  30           H        LEU  30 -10.168  10.215  -3.903
  239    HA   LEU  30           HA       LEU  30 -10.131   9.308  -6.746
  240   1HB   LEU  30          1HB       LEU  30  -7.716   9.431  -4.903
  241   2HB   LEU  30          2HB       LEU  30  -7.732   8.926  -6.587
  242    HG   LEU  30           HG       LEU  30  -8.202  11.755  -5.594
  243   1HD1  LEU  30          1HD1      LEU  30  -6.001  12.182  -6.575
  244   2HD1  LEU  30          2HD1      LEU  30  -5.874  10.892  -5.372
  245   3HD1  LEU  30          3HD1      LEU  30  -5.874  10.475  -7.090
  246   1HD2  LEU  30          1HD2      LEU  30  -9.459  11.376  -7.690
  247   2HD2  LEU  30          2HD2      LEU  30  -8.067  12.430  -7.951
  248   3HD2  LEU  30          3HD2      LEU  30  -7.997  10.734  -8.458
  249    H    LYS  31           H        LYS  31  -9.140   6.966  -6.749
  250    HA   LYS  31           HA       LYS  31 -10.530   5.490  -4.540
  251   1HB   LYS  31          1HB       LYS  31 -11.661   5.349  -6.699
  252   2HB   LYS  31          2HB       LYS  31 -10.179   4.788  -7.485
  253   1HG   LYS  31          1HG       LYS  31 -10.179   2.730  -6.214
  254   2HG   LYS  31          2HG       LYS  31 -11.502   3.282  -5.183
  255   1HD   LYS  31          1HD       LYS  31 -11.699   2.772  -8.184
  256   2HD   LYS  31          2HD       LYS  31 -12.176   1.618  -6.948
  257   1HE   LYS  31          1HE       LYS  31 -13.427   4.376  -7.361
  258   2HE   LYS  31          2HE       LYS  31 -14.079   2.859  -7.972
  259   1HZ   LYS  31          1HZ       LYS  31 -13.760   3.520  -5.102
  260   2HZ   LYS  31          2HZ       LYS  31 -15.159   3.477  -5.930
  261   3HZ   LYS  31          3HZ       LYS  31 -14.333   2.100  -5.683
  262    H    VAL  32           H        VAL  32  -9.340   4.105  -3.369
  263    HA   VAL  32           HA       VAL  32  -6.755   3.147  -4.442
  264    HB   VAL  32           HB       VAL  32  -7.050   4.231  -1.615
  265   1HG1  VAL  32          1HG1      VAL  32  -5.242   2.549  -2.016
  266   2HG1  VAL  32          2HG1      VAL  32  -4.606   3.558  -3.325
  267   3HG1  VAL  32          3HG1      VAL  32  -4.582   4.149  -1.656
  268   1HG2  VAL  32          1HG2      VAL  32  -5.842   5.685  -4.013
  269   2HG2  VAL  32          2HG2      VAL  32  -7.262   6.195  -3.069
  270   3HG2  VAL  32          3HG2      VAL  32  -5.680   6.176  -2.314
  271    H    GLU  33           H        GLU  33  -6.453   1.008  -3.991
  272    HA   GLU  33           HA       GLU  33  -8.314  -0.331  -2.059
  273   1HB   GLU  33          1HB       GLU  33  -8.967  -0.859  -4.309
  274   2HB   GLU  33          2HB       GLU  33  -7.298  -1.094  -4.817
  275   1HG   GLU  33          1HG       GLU  33  -8.387  -3.219  -4.753
  276   2HG   GLU  33          2HG       GLU  33  -7.157  -3.186  -3.520
  277    H    SER  34           H        SER  34  -7.429  -2.255  -1.045
  278    HA   SER  34           HA       SER  34  -4.471  -2.493  -1.118
  279   1HB   SER  34          1HB       SER  34  -4.635  -3.070   1.335
  280   2HB   SER  34          2HB       SER  34  -4.860  -1.369   0.914
  281    HG   SER  34           HG       SER  34  -7.009  -1.501   1.336
  282    H    ALA  35           H        ALA  35  -3.719  -4.565  -1.280
  283    HA   ALA  35           HA       ALA  35  -5.402  -6.871  -0.641
  284   1HB   ALA  35          1HB       ALA  35  -6.113  -6.272  -2.984
  285   2HB   ALA  35          2HB       ALA  35  -4.418  -6.437  -3.506
  286   3HB   ALA  35          3HB       ALA  35  -5.315  -7.842  -2.889
  287    H    GLY  36           H        GLY  36  -3.887  -8.933  -1.521
  288   1HA   GLY  36          1HA       GLY  36  -1.057  -8.182  -1.482
  289   2HA   GLY  36          2HA       GLY  36  -1.611  -9.169  -0.128
  290    H    LEU  37           H        LEU  37   0.474  -9.811  -1.796
  291    HA   LEU  37           HA       LEU  37  -0.169 -11.519  -4.012
  292   1HB   LEU  37          1HB       LEU  37   2.244 -11.304  -2.161
  293   2HB   LEU  37          2HB       LEU  37   2.230 -12.327  -3.587
  294    HG   LEU  37           HG       LEU  37   1.756  -9.326  -3.746
  295   1HD1  LEU  37          1HD1      LEU  37   3.951  -9.671  -2.757
  296   2HD1  LEU  37          2HD1      LEU  37   4.360 -10.874  -3.998
  297   3HD1  LEU  37          3HD1      LEU  37   4.134  -9.162  -4.443
  298   1HD2  LEU  37          1HD2      LEU  37   2.425  -9.648  -6.107
  299   2HD2  LEU  37          2HD2      LEU  37   2.572 -11.396  -5.838
  300   3HD2  LEU  37          3HD2      LEU  37   0.990 -10.598  -5.718
  301    H    GLY  38           H        GLY  38  -0.368 -12.046  -0.616
  302   1HA   GLY  38          1HA       GLY  38  -1.094 -14.857  -0.846
  303   2HA   GLY  38          2HA       GLY  38   0.475 -14.566  -0.042
  304    H    ALA  39           H        ALA  39  -2.813 -13.114  -0.180
  305    HA   ALA  39           HA       ALA  39  -2.473 -11.831   2.401
  306   1HB   ALA  39          1HB       ALA  39  -4.720 -10.965   1.972
  307   2HB   ALA  39          2HB       ALA  39  -3.757 -10.826   0.492
  308   3HB   ALA  39          3HB       ALA  39  -4.948 -12.148   0.675
  309    H    LEU  40           H        LEU  40  -4.213 -12.032   4.059
  310    HA   LEU  40           HA       LEU  40  -4.905 -14.893   4.576
  311   1HB   LEU  40          1HB       LEU  40  -4.559 -12.535   6.473
  312   2HB   LEU  40          2HB       LEU  40  -5.316 -14.067   6.895
  313    HG   LEU  40           HG       LEU  40  -3.216 -15.271   6.277
  314   1HD1  LEU  40          1HD1      LEU  40  -2.004 -13.673   4.928
  315   2HD1  LEU  40          2HD1      LEU  40  -2.045 -12.460   6.234
  316   3HD1  LEU  40          3HD1      LEU  40  -1.084 -13.945   6.401
  317   1HD2  LEU  40          1HD2      LEU  40  -3.860 -14.796   8.610
  318   2HD2  LEU  40          2HD2      LEU  40  -2.107 -14.716   8.419
  319   3HD2  LEU  40          3HD2      LEU  40  -3.052 -13.215   8.525
  320    H    VAL  41           H        VAL  41  -6.538 -14.595   2.894
  321    HA   VAL  41           HA       VAL  41  -8.445 -12.678   2.697
  322    HB   VAL  41           HB       VAL  41  -8.997 -15.633   2.289
  323   1HG1  VAL  41          1HG1      VAL  41 -10.988 -14.181   2.031
  324   2HG1  VAL  41          2HG1      VAL  41 -10.096 -13.135   0.906
  325   3HG1  VAL  41          3HG1      VAL  41 -10.467 -14.817   0.470
  326   1HG2  VAL  41          1HG2      VAL  41  -8.176 -15.213  -0.057
  327   2HG2  VAL  41          2HG2      VAL  41  -7.541 -13.647   0.489
  328   3HG2  VAL  41          3HG2      VAL  41  -6.898 -15.166   1.150
  329    H    GLY  42           H        GLY  42  -9.917 -11.802   4.019
  330   1HA   GLY  42          1HA       GLY  42 -11.767 -11.687   5.357
  331   2HA   GLY  42          2HA       GLY  42 -11.797 -13.446   5.463
  332    H    LYS  43           H        LYS  43  -8.693 -12.522   6.501
  333    HA   LYS  43           HA       LYS  43  -9.385 -13.343   9.158
  334   1HB   LYS  43          1HB       LYS  43  -7.347 -13.944   7.921
  335   2HB   LYS  43          2HB       LYS  43  -6.744 -12.288   8.040
  336   1HG   LYS  43          1HG       LYS  43  -7.480 -13.747  10.574
  337   2HG   LYS  43          2HG       LYS  43  -6.045 -14.288   9.723
  338   1HD   LYS  43          1HD       LYS  43  -4.853 -12.336  10.039
  339   2HD   LYS  43          2HD       LYS  43  -6.268 -11.322  10.227
  340   1HE   LYS  43          1HE       LYS  43  -5.220 -13.316  12.284
  341   2HE   LYS  43          2HE       LYS  43  -5.054 -11.558  12.332
  342   1HZ   LYS  43          1HZ       LYS  43  -6.881 -12.024  13.686
  343   2HZ   LYS  43          2HZ       LYS  43  -7.594 -11.551  12.275
  344   3HZ   LYS  43          3HZ       LYS  43  -7.520 -13.127  12.669
  345    H    GLY  44           H        GLY  44  -9.523 -10.147   7.860
  346   1HA   GLY  44          1HA       GLY  44  -9.964  -8.165   9.039
  347   2HA   GLY  44          2HA       GLY  44  -9.509  -8.942  10.550
  348    H    ALA  45           H        ALA  45  -8.461  -6.420   9.932
  349    HA   ALA  45           HA       ALA  45  -5.723  -6.732   8.948
  350   1HB   ALA  45          1HB       ALA  45  -5.438  -4.421   9.856
  351   2HB   ALA  45          2HB       ALA  45  -6.765  -4.569   8.695
  352   3HB   ALA  45          3HB       ALA  45  -7.120  -4.467  10.427
  353    H    ASP  46           H        ASP  46  -3.859  -6.354  10.342
  354    HA   ASP  46           HA       ASP  46  -3.781  -8.146  12.577
  355   1HB   ASP  46          1HB       ASP  46  -1.891  -7.726  11.042
  356   2HB   ASP  46          2HB       ASP  46  -1.816  -6.044  11.555
  357    HA   PRO  47           HA       PRO  47  -5.312  -5.235  15.540
  358   1HB   PRO  47          1HB       PRO  47  -4.371  -6.237  17.939
  359   2HB   PRO  47          2HB       PRO  47  -5.721  -6.943  17.000
  360   1HG   PRO  47          1HG       PRO  47  -2.806  -7.780  16.989
  361   2HG   PRO  47          2HG       PRO  47  -4.259  -8.823  17.131
  362   1HD   PRO  47          1HD       PRO  47  -2.999  -8.487  14.760
  363   2HD   PRO  47          2HD       PRO  47  -4.786  -8.547  14.832
  364    H    THR  48           H        THR  48  -1.821  -5.777  15.306
  365    HA   THR  48           HA       THR  48  -1.135  -3.545  17.071
  366    HB   THR  48           HB       THR  48   0.864  -4.448  15.082
  367    HG1  THR  48           1HG      THR  48  -0.111  -6.336  15.258
  368   1HG2  THR  48          1HG2      THR  48   2.284  -4.684  17.089
  369   2HG2  THR  48          2HG2      THR  48   1.475  -3.109  17.032
  370   3HG2  THR  48          3HG2      THR  48   0.872  -4.374  18.128
  371    H    ALA  49           H        ALA  49  -1.440  -4.218  13.541
  372    HA   ALA  49           HA       ALA  49  -0.656  -1.617  12.648
  373   1HB   ALA  49          1HB       ALA  49  -2.564  -3.650  11.396
  374   2HB   ALA  49          2HB       ALA  49  -1.835  -2.256  10.570
  375   3HB   ALA  49          3HB       ALA  49  -0.809  -3.582  11.157
  376    H    ILE  50           H        ILE  50  -3.919  -3.044  13.312
  377    HA   ILE  50           HA       ILE  50  -5.434  -0.747  12.963
  378    HB   ILE  50           HB       ILE  50  -5.816  -2.952  14.979
  379   1HG1  ILE  50          1HG1      ILE  50  -7.212  -2.516  12.286
  380   2HG1  ILE  50          2HG1      ILE  50  -5.829  -3.574  12.484
  381   1HG2  ILE  50          1HG2      ILE  50  -7.147  -0.982  15.675
  382   2HG2  ILE  50          2HG2      ILE  50  -7.810  -0.837  14.036
  383   3HG2  ILE  50          3HG2      ILE  50  -8.221  -2.222  15.073
  384   1HD1  ILE  50          1HD1      ILE  50  -7.129  -4.933  14.155
  385   2HD1  ILE  50          2HD1      ILE  50  -8.562  -3.951  13.770
  386   3HD1  ILE  50          3HD1      ILE  50  -7.812  -4.939  12.524
  387    H    SER  51           H        SER  51  -3.846  -1.827  16.054
  388    HA   SER  51           HA       SER  51  -4.703   0.295  17.631
  389   1HB   SER  51          1HB       SER  51  -3.609  -1.765  18.457
  390   2HB   SER  51          2HB       SER  51  -2.073  -1.243  17.747
  391    HG   SER  51           HG       SER  51  -3.426  -0.316  20.012
  392    H    VAL  52           H        VAL  52  -1.588   0.077  15.787
  393    HA   VAL  52           HA       VAL  52  -0.697   2.657  16.563
  394    HB   VAL  52           HB       VAL  52   0.011   0.777  14.280
  395   1HG1  VAL  52          1HG1      VAL  52   2.052   2.054  13.899
  396   2HG1  VAL  52          2HG1      VAL  52   0.648   3.040  13.518
  397   3HG1  VAL  52          3HG1      VAL  52   1.520   3.315  15.042
  398   1HG2  VAL  52          1HG2      VAL  52   1.408   1.560  16.888
  399   2HG2  VAL  52          2HG2      VAL  52   0.573   0.025  16.576
  400   3HG2  VAL  52          3HG2      VAL  52   2.048   0.427  15.690
  401    H    ALA  53           H        ALA  53  -2.817   1.661  13.811
  402    HA   ALA  53           HA       ALA  53  -2.501   4.340  12.639
  403   1HB   ALA  53          1HB       ALA  53  -4.018   1.858  11.844
  404   2HB   ALA  53          2HB       ALA  53  -4.001   3.356  10.885
  405   3HB   ALA  53          3HB       ALA  53  -2.506   2.453  11.171
  406    H    ALA  54           H        ALA  54  -5.146   2.536  14.342
  407    HA   ALA  54           HA       ALA  54  -7.025   4.663  14.293
  408   1HB   ALA  54          1HB       ALA  54  -7.589   2.336  14.907
  409   2HB   ALA  54          2HB       ALA  54  -6.604   2.486  16.384
  410   3HB   ALA  54          3HB       ALA  54  -8.060   3.482  16.179
  411    H    GLU  55           H        GLU  55  -4.083   4.184  16.355
  412    HA   GLU  55           HA       GLU  55  -4.599   6.164  18.239
  413   1HB   GLU  55          1HB       GLU  55  -2.571   4.634  18.007
  414   2HB   GLU  55          2HB       GLU  55  -1.920   5.808  16.851
  415   1HG   GLU  55          1HG       GLU  55  -2.018   7.562  18.612
  416   2HG   GLU  55          2HG       GLU  55  -2.638   6.364  19.755
  417    H    HIS  56           H        HIS  56  -3.811   6.566  14.808
  418    HA   HIS  56           HA       HIS  56  -3.863   9.532  15.001
  419   1HB   HIS  56          1HB       HIS  56  -3.191   7.636  12.725
  420   2HB   HIS  56          2HB       HIS  56  -3.129   9.398  12.632
  421    HD1  HIS  56           HD1      HIS  56  -1.223  10.582  14.360
  422    HD2  HIS  56           HD2      HIS  56  -1.018   6.442  13.631
  423    HE1  HIS  56           HE1      HIS  56   1.089   9.838  15.116
  424    H    GLN  57           H        GLN  57  -6.168   7.495  15.292
  425    HA   GLN  57           HA       GLN  57  -8.299   7.186  14.671
  426   1HB   GLN  57          1HB       GLN  57  -8.145  10.105  13.838
  427   2HB   GLN  57          2HB       GLN  57  -9.617   9.209  14.194
  428   1HG   GLN  57          1HG       GLN  57  -7.412   9.717  16.249
  429   2HG   GLN  57          2HG       GLN  57  -8.823  10.731  16.020
  430   1HE2  GLN  57          2HE2      GLN  57  -7.850   7.344  16.939
  431   2HE2  GLN  57          1HE2      GLN  57  -9.290   7.067  17.880
  432    H    LEU  58           H        LEU  58  -6.347   6.375  12.660
  433    HA   LEU  58           HA       LEU  58  -7.613   7.026  10.076
  434   1HB   LEU  58          1HB       LEU  58  -5.072   6.584  10.455
  435   2HB   LEU  58          2HB       LEU  58  -5.546   4.898  10.679
  436    HG   LEU  58           HG       LEU  58  -6.659   5.035   8.372
  437   1HD1  LEU  58          1HD1      LEU  58  -5.722   6.800   6.861
  438   2HD1  LEU  58          2HD1      LEU  58  -6.750   7.480   8.114
  439   3HD1  LEU  58          3HD1      LEU  58  -4.981   7.589   8.260
  440   1HD2  LEU  58          1HD2      LEU  58  -4.634   3.800   8.659
  441   2HD2  LEU  58          2HD2      LEU  58  -4.416   4.788   7.208
  442   3HD2  LEU  58          3HD2      LEU  58  -3.647   5.287   8.715
  443    H    SER  59           H        SER  59  -9.268   5.741   9.242
  444    HA   SER  59           HA       SER  59 -10.244   3.680  11.039
  445   1HB   SER  59          1HB       SER  59 -12.309   4.031   9.456
  446   2HB   SER  59          2HB       SER  59 -11.820   5.338  10.541
  447    HG   SER  59           HG       SER  59 -12.211   6.085   8.412
  448    H    LEU  60           H        LEU  60  -8.247   2.391  10.188
  449    HA   LEU  60           HA       LEU  60  -8.902   0.772   7.785
  450   1HB   LEU  60          1HB       LEU  60  -6.831  -0.310   8.099
  451   2HB   LEU  60          2HB       LEU  60  -6.497   1.399   8.346
  452    HG   LEU  60           HG       LEU  60  -6.734  -0.780  10.486
  453   1HD1  LEU  60          1HD1      LEU  60  -4.372   0.865   9.498
  454   2HD1  LEU  60          2HD1      LEU  60  -4.340  -0.342  10.800
  455   3HD1  LEU  60          3HD1      LEU  60  -4.685  -0.843   9.143
  456   1HD2  LEU  60          1HD2      LEU  60  -5.967   1.017  12.087
  457   2HD2  LEU  60          2HD2      LEU  60  -6.275   2.215  10.826
  458   3HD2  LEU  60          3HD2      LEU  60  -7.590   1.237  11.534
  459    H    GLU  61           H        GLU  61 -10.037   1.067  10.854
  460    HA   GLU  61           HA       GLU  61  -9.635  -1.302  12.208
  461   1HB   GLU  61          1HB       GLU  61 -12.119   0.458  12.215
  462   2HB   GLU  61          2HB       GLU  61 -11.692  -0.716  13.463
  463   1HG   GLU  61          1HG       GLU  61  -9.631   0.558  13.977
  464   2HG   GLU  61          2HG       GLU  61 -10.038   1.743  12.736
  465    H    GLY  62           H        GLY  62 -11.983  -0.803   9.566
  466   1HA   GLY  62          1HA       GLY  62 -13.173  -3.475  10.077
  467   2HA   GLY  62          2HA       GLY  62 -13.853  -2.176   9.098
  468    H    HIS  63           H        HIS  63 -10.456  -2.630   8.483
  469    HA   HIS  63           HA       HIS  63 -10.960  -3.613   5.806
  470   1HB   HIS  63          1HB       HIS  63  -9.018  -2.176   6.284
  471   2HB   HIS  63          2HB       HIS  63  -8.384  -3.374   7.415
  472    HD1  HIS  63           HD1      HIS  63  -8.896  -2.905   3.605
  473    HD2  HIS  63           HD2      HIS  63  -7.043  -5.451   6.397
  474    HE1  HIS  63           HE1      HIS  63  -7.535  -4.574   2.262
  475    H    CYS  64           H        CYS  64 -10.583  -5.665   5.014
  476    HA   CYS  64           HA       CYS  64  -9.785  -7.818   6.879
  477   1HB   CYS  64          1HB       CYS  64 -12.229  -7.816   5.054
  478   2HB   CYS  64          2HB       CYS  64 -11.506  -9.292   5.711
  479    HG   CYS  64           HG       CYS  64 -13.682  -8.688   7.045
  480    H    ALA  65           H        ALA  65  -8.066  -8.777   5.982
  481    HA   ALA  65           HA       ALA  65  -7.026  -7.917   3.532
  482   1HB   ALA  65          1HB       ALA  65  -5.356  -9.759   3.868
  483   2HB   ALA  65          2HB       ALA  65  -5.607  -8.753   5.298
  484   3HB   ALA  65          3HB       ALA  65  -6.345 -10.365   5.210
  485    H    ARG  66           H        ARG  66  -6.506  -9.130   1.593
  486    HA   ARG  66           HA       ARG  66  -8.310 -11.262   0.726
  487   1HB   ARG  66          1HB       ARG  66  -9.380  -9.753  -1.018
  488   2HB   ARG  66          2HB       ARG  66  -9.939  -9.563   0.638
  489   1HG   ARG  66          1HG       ARG  66  -8.500  -7.513   0.881
  490   2HG   ARG  66          2HG       ARG  66  -8.045  -7.667  -0.829
  491   1HD   ARG  66          1HD       ARG  66 -10.370  -7.411  -1.511
  492   2HD   ARG  66          2HD       ARG  66 -10.929  -7.478   0.161
  493    HE   ARG  66           HE       ARG  66  -9.765  -5.208  -1.274
  494   1HH1  ARG  66          1HH2      ARG  66 -10.429  -6.440   2.049
  495   2HH1  ARG  66          2HH2      ARG  66 -10.919  -4.889   2.612
  496   1HH2  ARG  66          1HH1      ARG  66 -10.019  -3.179  -0.356
  497   2HH2  ARG  66          2HH1      ARG  66 -10.573  -2.979   1.276
  498    H    GLN  67           H        GLN  67  -7.477 -12.202  -1.170
  499    HA   GLN  67           HA       GLN  67  -4.711 -11.474  -1.697
  500   1HB   GLN  67          1HB       GLN  67  -5.755 -13.897  -1.555
  501   2HB   GLN  67          2HB       GLN  67  -6.250 -13.580  -3.223
  502   1HG   GLN  67          1HG       GLN  67  -3.691 -12.900  -3.532
  503   2HG   GLN  67          2HG       GLN  67  -3.459 -13.793  -2.039
  504   1HE2  GLN  67          2HE2      GLN  67  -4.207 -13.941  -5.453
  505   2HE2  GLN  67          1HE2      GLN  67  -4.117 -15.689  -5.626
  506    H    ILE  68           H        ILE  68  -3.841 -10.668  -3.481
  507    HA   ILE  68           HA       ILE  68  -5.552  -9.191  -5.307
  508    HB   ILE  68           HB       ILE  68  -3.273  -8.445  -4.585
  509   1HG1  ILE  68          1HG1      ILE  68  -3.516  -8.772  -7.602
  510   2HG1  ILE  68          2HG1      ILE  68  -4.516  -7.665  -6.654
  511   1HG2  ILE  68          1HG2      ILE  68  -2.107 -10.430  -6.570
  512   2HG2  ILE  68          2HG2      ILE  68  -1.254  -9.392  -5.413
  513   3HG2  ILE  68          3HG2      ILE  68  -2.185 -10.786  -4.848
  514   1HD1  ILE  68          1HD1      ILE  68  -2.549  -6.472  -5.880
  515   2HD1  ILE  68          2HD1      ILE  68  -1.480  -7.561  -6.793
  516   3HD1  ILE  68          3HD1      ILE  68  -2.605  -6.499  -7.655
  517    H    SER  69           H        SER  69  -5.720  -9.705  -7.530
  518    HA   SER  69           HA       SER  69  -5.029 -12.442  -8.405
  519   1HB   SER  69          1HB       SER  69  -7.286 -12.814  -9.208
  520   2HB   SER  69          2HB       SER  69  -7.384 -12.381  -7.485
  521    HG   SER  69           HG       SER  69  -8.910 -11.236  -8.707
  522    H    ARG  70           H        ARG  70  -5.177 -12.493 -10.896
  523    HA   ARG  70           HA       ARG  70  -3.876 -10.192 -11.978
  524   1HB   ARG  70          1HB       ARG  70  -3.820 -12.632 -12.772
  525   2HB   ARG  70          2HB       ARG  70  -5.350 -12.309 -13.599
  526   1HG   ARG  70          1HG       ARG  70  -4.243 -10.550 -14.958
  527   2HG   ARG  70          2HG       ARG  70  -2.745 -10.766 -14.025
  528   1HD   ARG  70          1HD       ARG  70  -2.728 -13.187 -14.742
  529   2HD   ARG  70          2HD       ARG  70  -4.081 -12.821 -15.834
  530    HE   ARG  70           HE       ARG  70  -2.142 -10.936 -16.466
  531   1HH1  ARG  70          1HH2      ARG  70  -2.328 -14.500 -16.511
  532   2HH1  ARG  70          2HH2      ARG  70  -1.094 -14.678 -17.701
  533   1HH2  ARG  70          1HH1      ARG  70  -0.447 -11.174 -17.865
  534   2HH2  ARG  70          2HH1      ARG  70  -0.030 -12.719 -18.577
  535    H    ARG  71           H        ARG  71  -7.323 -11.143 -11.857
  536    HA   ARG  71           HA       ARG  71  -8.253  -9.065 -13.581
  537   1HB   ARG  71          1HB       ARG  71  -9.628 -11.019 -13.007
  538   2HB   ARG  71          2HB       ARG  71  -9.612 -10.577 -11.299
  539   1HG   ARG  71          1HG       ARG  71 -11.749 -10.021 -12.353
  540   2HG   ARG  71          2HG       ARG  71 -10.941  -8.581 -11.743
  541   1HD   ARG  71          1HD       ARG  71 -10.142  -8.103 -14.113
  542   2HD   ARG  71          2HD       ARG  71 -11.058  -9.512 -14.648
  543    HE   ARG  71           HE       ARG  71 -13.023  -8.345 -14.439
  544   1HH1  ARG  71          1HH2      ARG  71 -10.428  -6.412 -12.922
  545   2HH1  ARG  71          2HH2      ARG  71 -11.468  -5.032 -12.668
  546   1HH2  ARG  71          1HH1      ARG  71 -14.321  -6.468 -14.139
  547   2HH2  ARG  71          2HH1      ARG  71 -13.664  -5.051 -13.412
  548    H    LEU  72           H        LEU  72  -7.688  -9.139  -9.983
  549    HA   LEU  72           HA       LEU  72  -8.519  -6.437  -9.598
  550   1HB   LEU  72          1HB       LEU  72  -6.945  -8.444  -8.038
  551   2HB   LEU  72          2HB       LEU  72  -6.527  -6.750  -7.765
  552    HG   LEU  72           HG       LEU  72  -8.896  -6.216  -7.376
  553   1HD1  LEU  72          1HD1      LEU  72  -9.329  -9.227  -7.277
  554   2HD1  LEU  72          2HD1      LEU  72 -10.512  -7.985  -6.824
  555   3HD1  LEU  72          3HD1      LEU  72  -9.991  -8.129  -8.507
  556   1HD2  LEU  72          1HD2      LEU  72  -7.314  -6.611  -5.504
  557   2HD2  LEU  72          2HD2      LEU  72  -8.956  -7.105  -5.078
  558   3HD2  LEU  72          3HD2      LEU  72  -7.751  -8.337  -5.503
  559    H    CYS  73           H        CYS  73  -5.302  -7.833 -10.506
  560    HA   CYS  73           HA       CYS  73  -3.902  -5.405 -10.322
  561   1HB   CYS  73          1HB       CYS  73  -3.491  -7.629 -12.399
  562   2HB   CYS  73          2HB       CYS  73  -2.327  -6.364 -12.000
  563    HG   CYS  73           HG       CYS  73  -3.598  -8.633  -9.939
  564    H    ARG  74           H        ARG  74  -5.769  -6.737 -13.106
  565    HA   ARG  74           HA       ARG  74  -5.318  -4.479 -14.826
  566   1HB   ARG  74          1HB       ARG  74  -7.518  -6.593 -14.743
  567   2HB   ARG  74          2HB       ARG  74  -7.299  -5.444 -16.067
  568   1HG   ARG  74          1HG       ARG  74  -5.121  -6.357 -16.628
  569   2HG   ARG  74          2HG       ARG  74  -5.125  -7.406 -15.204
  570   1HD   ARG  74          1HD       ARG  74  -7.153  -8.567 -16.082
  571   2HD   ARG  74          2HD       ARG  74  -7.040  -7.583 -17.560
  572    HE   ARG  74           HE       ARG  74  -4.516  -8.815 -17.129
  573   1HH1  ARG  74          1HH1      ARG  74  -7.818  -9.859 -17.992
  574   2HH1  ARG  74          2HH1      ARG  74  -7.272 -11.273 -18.816
  575   1HH2  ARG  74          1HH2      ARG  74  -3.836 -10.541 -18.152
  576   2HH2  ARG  74          2HH2      ARG  74  -4.895 -11.701 -18.944
  577    H    ASN  75           H        ASN  75  -7.513  -4.933 -12.111
  578    HA   ASN  75           HA       ASN  75  -9.545  -3.157 -12.985
  579   1HB   ASN  75          1HB       ASN  75  -9.639  -4.985 -11.138
  580   2HB   ASN  75          2HB       ASN  75  -8.925  -3.785 -10.083
  581   1HD2  ASN  75          2HD2      ASN  75 -10.476  -2.544  -8.945
  582   2HD2  ASN  75          1HD2      ASN  75 -12.108  -2.292  -9.505
  583    H    TYR  76           H        TYR  76  -6.405  -2.411 -11.688
  584    HA   TYR  76           HA       TYR  76  -7.283   0.400 -11.174
  585   1HB   TYR  76          1HB       TYR  76  -5.144  -1.110  -9.682
  586   2HB   TYR  76          2HB       TYR  76  -5.606   0.568  -9.418
  587    HD1  TYR  76           HD1      TYR  76  -6.640  -2.947  -9.025
  588    HD2  TYR  76           HD2      TYR  76  -7.623   1.124  -8.129
  589    HE1  TYR  76           HE1      TYR  76  -8.502  -3.739  -7.609
  590    HE2  TYR  76           HE2      TYR  76  -9.546   0.383  -6.775
  591    HH   TYR  76           HH       TYR  76 -10.831  -1.458  -6.072
  592    H    ASP  77           H        ASP  77  -5.304   1.964 -11.387
  593    HA   ASP  77           HA       ASP  77  -4.000   1.180 -13.975
  594   1HB   ASP  77          1HB       ASP  77  -5.926   2.741 -14.138
  595   2HB   ASP  77          2HB       ASP  77  -5.040   3.897 -13.138
  596    H    LEU  78           H        LEU  78  -3.249   1.990 -10.786
  597    HA   LEU  78           HA       LEU  78  -0.443   2.193 -11.569
  598   1HB   LEU  78          1HB       LEU  78  -1.502   4.582 -11.185
  599   2HB   LEU  78          2HB       LEU  78  -1.536   4.132  -9.497
  600    HG   LEU  78           HG       LEU  78   0.377   5.518 -10.056
  601   1HD1  LEU  78          1HD1      LEU  78   0.644   3.760  -8.276
  602   2HD1  LEU  78          2HD1      LEU  78   1.509   2.761  -9.473
  603   3HD1  LEU  78          3HD1      LEU  78   2.149   4.332  -9.014
  604   1HD2  LEU  78          1HD2      LEU  78   0.582   4.703 -12.453
  605   2HD2  LEU  78          2HD2      LEU  78   2.099   4.956 -11.585
  606   3HD2  LEU  78          3HD2      LEU  78   1.483   3.307 -11.830
  607    H    ILE  79           H        ILE  79   0.687   0.848 -10.163
  608    HA   ILE  79           HA       ILE  79  -0.925  -0.355  -7.951
  609    HB   ILE  79           HB       ILE  79   0.946  -1.795  -9.854
  610   1HG1  ILE  79          1HG1      ILE  79  -0.981  -1.077 -11.193
  611   2HG1  ILE  79          2HG1      ILE  79  -0.898  -2.812 -10.994
  612   1HG2  ILE  79          1HG2      ILE  79  -0.237  -3.813  -8.914
  613   2HG2  ILE  79          2HG2      ILE  79   0.775  -2.932  -7.746
  614   3HG2  ILE  79          3HG2      ILE  79  -0.989  -2.753  -7.708
  615   1HD1  ILE  79          1HD1      ILE  79  -2.725  -2.799  -9.378
  616   2HD1  ILE  79          2HD1      ILE  79  -2.750  -1.020  -9.371
  617   3HD1  ILE  79          3HD1      ILE  79  -3.206  -1.912 -10.831
  618    H    LEU  80           H        LEU  80   0.185  -0.558  -6.046
  619    HA   LEU  80           HA       LEU  80   3.021   0.370  -6.048
  620   1HB   LEU  80          1HB       LEU  80   0.812   0.986  -4.060
  621   2HB   LEU  80          2HB       LEU  80   2.516   1.436  -3.904
  622    HG   LEU  80           HG       LEU  80   0.666   2.401  -6.126
  623   1HD1  LEU  80          1HD1      LEU  80   0.672   4.555  -5.032
  624   2HD1  LEU  80          2HD1      LEU  80   0.085   3.339  -3.890
  625   3HD1  LEU  80          3HD1      LEU  80   1.744   3.969  -3.751
  626   1HD2  LEU  80          1HD2      LEU  80   3.525   3.204  -5.411
  627   2HD2  LEU  80          2HD2      LEU  80   2.995   2.353  -6.881
  628   3HD2  LEU  80          3HD2      LEU  80   2.475   4.003  -6.603
  629    H    THR  81           H        THR  81   4.406  -0.467  -4.548
  630    HA   THR  81           HA       THR  81   3.584  -2.907  -3.054
  631    HB   THR  81           HB       THR  81   5.674  -3.959  -4.088
  632    HG1  THR  81           1HG      THR  81   5.380  -1.740  -5.823
  633   1HG2  THR  81          1HG2      THR  81   3.457  -4.695  -4.827
  634   2HG2  THR  81          2HG2      THR  81   3.412  -3.394  -6.039
  635   3HG2  THR  81          3HG2      THR  81   4.617  -4.694  -6.167
  636    H    MET  82           H        MET  82   5.491  -3.486  -1.453
  637    HA   MET  82           HA       MET  82   6.506  -0.862  -0.486
  638   1HB   MET  82          1HB       MET  82   5.519  -3.404   0.793
  639   2HB   MET  82          2HB       MET  82   6.673  -2.401   1.659
  640   1HG   MET  82          1HG       MET  82   4.394  -1.799   2.279
  641   2HG   MET  82          2HG       MET  82   5.259  -0.472   1.529
  642   1HE   MET  82          1HE       MET  82   1.891   0.709   0.467
  643   2HE   MET  82          2HE       MET  82   2.279  -0.046   2.031
  644   3HE   MET  82          3HE       MET  82   3.445   1.037   1.232
  645    H    GLU  83           H        GLU  83   7.710  -3.863  -1.785
  646    HA   GLU  83           HA       GLU  83  10.475  -3.050  -1.084
  647   1HB   GLU  83          1HB       GLU  83   9.182  -5.758  -0.505
  648   2HB   GLU  83          2HB       GLU  83  10.926  -5.466  -0.492
  649   1HG   GLU  83          1HG       GLU  83  10.699  -3.891   1.375
  650   2HG   GLU  83          2HG       GLU  83   8.937  -4.061   1.341
  651    H    LYS  84           H        LYS  84  12.072  -4.132  -2.503
  652    HA   LYS  84           HA       LYS  84  11.243  -4.286  -5.209
  653   1HB   LYS  84          1HB       LYS  84  13.766  -5.270  -3.802
  654   2HB   LYS  84          2HB       LYS  84  13.489  -5.483  -5.522
  655   1HG   LYS  84          1HG       LYS  84  14.814  -3.601  -5.397
  656   2HG   LYS  84          2HG       LYS  84  13.205  -2.993  -5.769
  657   1HD   LYS  84          1HD       LYS  84  12.943  -2.192  -3.455
  658   2HD   LYS  84          2HD       LYS  84  14.474  -2.972  -2.988
  659   1HE   LYS  84          1HE       LYS  84  15.679  -1.567  -4.648
  660   2HE   LYS  84          2HE       LYS  84  14.175  -0.739  -5.058
  661   1HZ   LYS  84          1HZ       LYS  84  15.331  -0.729  -2.315
  662   2HZ   LYS  84          2HZ       LYS  84  15.662   0.412  -3.436
  663   3HZ   LYS  84          3HZ       LYS  84  14.147   0.264  -2.889
  664    H    ARG  85           H        ARG  85  11.684  -6.957  -2.815
  665    HA   ARG  85           HA       ARG  85  11.227  -9.075  -4.588
  666   1HB   ARG  85          1HB       ARG  85  10.372 -10.342  -2.616
  667   2HB   ARG  85          2HB       ARG  85  11.950  -9.603  -2.391
  668   1HG   ARG  85          1HG       ARG  85  11.071  -7.899  -0.940
  669   2HG   ARG  85          2HG       ARG  85   9.400  -8.321  -1.329
  670   1HD   ARG  85          1HD       ARG  85   9.673 -10.515  -0.248
  671   2HD   ARG  85          2HD       ARG  85  11.363 -10.134   0.130
  672    HE   ARG  85           HE       ARG  85  10.338  -8.098   1.377
  673   1HH1  ARG  85          1HH2      ARG  85   9.135 -11.446   1.519
  674   2HH1  ARG  85          2HH2      ARG  85   8.329 -11.209   3.027
  675   1HH2  ARG  85          1HH1      ARG  85   9.115  -7.739   3.193
  676   2HH2  ARG  85          2HH1      ARG  85   8.347  -9.038   4.063
  677    H    HIS  86           H        HIS  86   8.814  -6.787  -3.307
  678    HA   HIS  86           HA       HIS  86   6.561  -8.513  -4.057
  679   1HB   HIS  86          1HB       HIS  86   6.727  -5.586  -3.256
  680   2HB   HIS  86          2HB       HIS  86   5.229  -6.439  -3.620
  681    HD1  HIS  86           HD1      HIS  86   7.261  -8.778  -1.608
  682    HD2  HIS  86           HD2      HIS  86   4.812  -5.421  -0.983
  683    HE1  HIS  86           HE1      HIS  86   6.650  -8.787   0.853
  684    H    ILE  87           H        ILE  87   8.419  -5.775  -5.496
  685    HA   ILE  87           HA       ILE  87   6.707  -5.333  -7.727
  686    HB   ILE  87           HB       ILE  87   9.746  -5.053  -7.542
  687   1HG1  ILE  87          1HG1      ILE  87   7.618  -2.905  -7.243
  688   2HG1  ILE  87          2HG1      ILE  87   8.436  -3.671  -5.874
  689   1HG2  ILE  87          1HG2      ILE  87   8.980  -5.126  -9.899
  690   2HG2  ILE  87          2HG2      ILE  87   7.815  -3.832  -9.563
  691   3HG2  ILE  87          3HG2      ILE  87   9.563  -3.530  -9.474
  692   1HD1  ILE  87          1HD1      ILE  87   9.660  -1.846  -7.964
  693   2HD1  ILE  87          2HD1      ILE  87   9.518  -1.607  -6.218
  694   3HD1  ILE  87          3HD1      ILE  87  10.635  -2.831  -6.846
  695    H    GLU  88           H        GLU  88   9.558  -7.507  -7.250
  696    HA   GLU  88           HA       GLU  88   9.554  -8.553  -9.865
  697   1HB   GLU  88          1HB       GLU  88  10.500  -9.763  -7.232
  698   2HB   GLU  88          2HB       GLU  88  10.794 -10.501  -8.812
  699   1HG   GLU  88          1HG       GLU  88  11.974  -8.456  -9.565
  700   2HG   GLU  88          2HG       GLU  88  11.727  -7.717  -7.987
  701    H    ARG  89           H        ARG  89   7.948  -9.896  -6.911
  702    HA   ARG  89           HA       ARG  89   6.849 -12.176  -8.250
  703   1HB   ARG  89          1HB       ARG  89   5.978 -10.651  -5.755
  704   2HB   ARG  89          2HB       ARG  89   5.235 -12.163  -6.295
  705   1HG   ARG  89          1HG       ARG  89   7.444 -13.311  -6.122
  706   2HG   ARG  89          2HG       ARG  89   8.177 -11.803  -5.570
  707   1HD   ARG  89          1HD       ARG  89   7.736 -13.220  -3.662
  708   2HD   ARG  89          2HD       ARG  89   6.690 -11.791  -3.587
  709    HE   ARG  89           HE       ARG  89   5.296 -13.883  -4.919
  710   1HH1  ARG  89          1HH2      ARG  89   6.533 -13.220  -1.661
  711   2HH1  ARG  89          2HH2      ARG  89   5.321 -14.148  -0.858
  712   1HH2  ARG  89          1HH1      ARG  89   3.655 -15.090  -3.849
  713   2HH2  ARG  89          2HH1      ARG  89   3.649 -15.230  -2.135
  714    H    LEU  90           H        LEU  90   5.508  -8.878  -7.674
  715    HA   LEU  90           HA       LEU  90   2.931  -9.603  -8.615
  716   1HB   LEU  90          1HB       LEU  90   3.433  -7.730  -7.093
  717   2HB   LEU  90          2HB       LEU  90   4.213  -6.856  -8.413
  718    HG   LEU  90           HG       LEU  90   2.112  -6.621  -9.600
  719   1HD1  LEU  90          1HD1      LEU  90  -0.043  -7.408  -8.653
  720   2HD1  LEU  90          2HD1      LEU  90   0.970  -8.741  -9.167
  721   3HD1  LEU  90          3HD1      LEU  90   0.838  -8.355  -7.434
  722   1HD2  LEU  90          1HD2      LEU  90   1.860  -6.074  -6.606
  723   2HD2  LEU  90          2HD2      LEU  90   2.552  -4.999  -7.839
  724   3HD2  LEU  90          3HD2      LEU  90   0.822  -5.376  -7.854
  725    H    CYS  91           H        CYS  91   5.746  -8.053 -10.262
  726    HA   CYS  91           HA       CYS  91   4.389  -7.666 -12.759
  727   1HB   CYS  91          1HB       CYS  91   7.361  -8.057 -12.172
  728   2HB   CYS  91          2HB       CYS  91   6.669  -7.509 -13.712
  729    HG   CYS  91           HG       CYS  91   6.595  -6.144 -10.721
  730    H    GLU  92           H        GLU  92   6.105 -10.507 -11.338
  731    HA   GLU  92           HA       GLU  92   6.165 -12.010 -13.734
  732   1HB   GLU  92          1HB       GLU  92   7.456 -12.467 -11.617
  733   2HB   GLU  92          2HB       GLU  92   5.966 -13.044 -10.875
  734   1HG   GLU  92          1HG       GLU  92   7.211 -14.945 -11.590
  735   2HG   GLU  92          2HG       GLU  92   5.815 -14.819 -12.646
  736    H    MET  93           H        MET  93   3.606 -11.762 -11.163
  737    HA   MET  93           HA       MET  93   1.983 -13.758 -12.512
  738   1HB   MET  93          1HB       MET  93   0.314 -13.361 -10.853
  739   2HB   MET  93          2HB       MET  93   1.889 -13.548 -10.089
  740   1HG   MET  93          1HG       MET  93   2.059 -11.203  -9.663
  741   2HG   MET  93          2HG       MET  93   0.642 -10.823 -10.638
  742   1HE   MET  93          1HE       MET  93  -1.675 -12.668  -9.880
  743   2HE   MET  93          2HE       MET  93  -2.373 -11.827  -8.483
  744   3HE   MET  93          3HE       MET  93  -1.783 -10.893  -9.876
  745    H    ALA  94           H        ALA  94   2.276 -10.265 -12.856
  746    HA   ALA  94           HA       ALA  94   0.109 -10.366 -14.887
  747   1HB   ALA  94          1HB       ALA  94  -0.888  -8.300 -14.011
  748   2HB   ALA  94          2HB       ALA  94  -0.968  -9.597 -12.803
  749   3HB   ALA  94          3HB       ALA  94   0.244  -8.308 -12.639
  750    HA   PRO  95           HA       PRO  95   4.102  -8.337 -16.285
  751   1HB   PRO  95          1HB       PRO  95   3.156  -9.717 -18.797
  752   2HB   PRO  95          2HB       PRO  95   4.831  -9.479 -18.198
  753   1HG   PRO  95          1HG       PRO  95   3.591 -11.872 -17.895
  754   2HG   PRO  95          2HG       PRO  95   4.558 -11.184 -16.550
  755   1HD   PRO  95          1HD       PRO  95   1.558 -11.140 -16.921
  756   2HD   PRO  95          2HD       PRO  95   2.514 -11.493 -15.458
  757    H    GLU  96           H        GLU  96   0.740  -8.266 -17.451
  758    HA   GLU  96           HA       GLU  96   0.837  -6.195 -19.345
  759   1HB   GLU  96          1HB       GLU  96  -1.248  -6.466 -17.115
  760   2HB   GLU  96          2HB       GLU  96  -1.440  -5.701 -18.690
  761   1HG   GLU  96          1HG       GLU  96  -2.416  -7.660 -19.208
  762   2HG   GLU  96          2HG       GLU  96  -0.742  -8.146 -19.531
  763    H    MET  97           H        MET  97   0.962  -6.127 -15.868
  764    HA   MET  97           HA       MET  97   0.904  -3.179 -15.718
  765   1HB   MET  97          1HB       MET  97   1.003  -5.207 -13.450
  766   2HB   MET  97          2HB       MET  97   0.630  -3.486 -13.327
  767   1HG   MET  97          1HG       MET  97  -1.040  -5.642 -14.652
  768   2HG   MET  97          2HG       MET  97  -1.416  -4.751 -13.186
  769   1HE   MET  97          1HE       MET  97  -1.066  -1.752 -13.674
  770   2HE   MET  97          2HE       MET  97  -2.615  -1.291 -14.412
  771   3HE   MET  97          3HE       MET  97  -2.580  -2.451 -13.073
  772    H    ARG  98           H        ARG  98   3.419  -5.094 -16.524
  773    HA   ARG  98           HA       ARG  98   5.335  -4.725 -14.523
  774   1HB   ARG  98          1HB       ARG  98   6.984  -5.336 -16.087
  775   2HB   ARG  98          2HB       ARG  98   5.527  -6.191 -16.568
  776   1HG   ARG  98          1HG       ARG  98   5.163  -4.276 -18.291
  777   2HG   ARG  98          2HG       ARG  98   6.784  -3.726 -17.852
  778   1HD   ARG  98          1HD       ARG  98   7.164  -5.006 -19.748
  779   2HD   ARG  98          2HD       ARG  98   7.577  -6.124 -18.432
  780    HE   ARG  98           HE       ARG  98   4.840  -6.458 -19.011
  781   1HH1  ARG  98          1HH2      ARG  98   7.947  -7.054 -20.627
  782   2HH1  ARG  98          2HH2      ARG  98   7.317  -8.228 -21.722
  783   1HH2  ARG  98          1HH1      ARG  98   3.981  -7.945 -20.526
  784   2HH2  ARG  98          2HH1      ARG  98   5.008  -8.775 -21.631
  785    H    GLY  99           H        GLY  99   4.211  -2.314 -16.829
  786   1HA   GLY  99          1HA       GLY  99   6.331  -0.395 -16.044
  787   2HA   GLY  99          2HA       GLY  99   5.167  -0.231 -17.362
  788    H    LYS 100           H        LYS 100   3.545  -1.332 -14.581
  789    HA   LYS 100           HA       LYS 100   2.757   1.428 -13.751
  790   1HB   LYS 100          1HB       LYS 100   0.986  -0.979 -14.333
  791   2HB   LYS 100          2HB       LYS 100   0.437   0.480 -13.492
  792   1HG   LYS 100          1HG       LYS 100   1.050   1.860 -15.459
  793   2HG   LYS 100          2HG       LYS 100   1.538   0.398 -16.336
  794   1HD   LYS 100          1HD       LYS 100  -0.753  -0.482 -16.228
  795   2HD   LYS 100          2HD       LYS 100  -1.264   0.913 -15.252
  796   1HE   LYS 100          1HE       LYS 100  -0.545   2.422 -17.146
  797   2HE   LYS 100          2HE       LYS 100  -0.222   0.981 -18.118
  798   1HZ   LYS 100          1HZ       LYS 100  -2.604   0.413 -17.844
  799   2HZ   LYS 100          2HZ       LYS 100  -2.858   1.833 -17.040
  800   3HZ   LYS 100          3HZ       LYS 100  -2.394   1.840 -18.603
  801    H    VAL 101           H        VAL 101   3.895  -1.677 -12.725
  802    HA   VAL 101           HA       VAL 101   3.060  -1.273  -9.933
  803    HB   VAL 101           HB       VAL 101   4.974  -3.245 -11.253
  804   1HG1  VAL 101          1HG1      VAL 101   4.883  -4.472  -9.080
  805   2HG1  VAL 101          2HG1      VAL 101   5.665  -2.899  -8.923
  806   3HG1  VAL 101          3HG1      VAL 101   3.996  -3.103  -8.367
  807   1HG2  VAL 101          1HG2      VAL 101   2.226  -3.773 -10.028
  808   2HG2  VAL 101          2HG2      VAL 101   2.521  -3.616 -11.765
  809   3HG2  VAL 101          3HG2      VAL 101   3.279  -4.931 -10.870
  810    H    MET 102           H        MET 102   4.322  -0.107  -8.475
  811    HA   MET 102           HA       MET 102   7.195   0.115  -8.934
  812   1HB   MET 102          1HB       MET 102   7.324   2.541  -8.814
  813   2HB   MET 102          2HB       MET 102   6.386   2.051 -10.217
  814   1HG   MET 102          1HG       MET 102   4.282   2.535  -8.950
  815   2HG   MET 102          2HG       MET 102   5.258   3.046  -7.572
  816   1HE   MET 102          1HE       MET 102   4.027   3.743 -11.130
  817   2HE   MET 102          2HE       MET 102   4.746   5.311 -11.566
  818   3HE   MET 102          3HE       MET 102   5.755   3.850 -11.535
  819    H    LEU 103           H        LEU 103   8.184   1.415  -7.006
  820    HA   LEU 103           HA       LEU 103   7.142   0.113  -4.634
  821   1HB   LEU 103          1HB       LEU 103   9.635   0.604  -5.509
  822   2HB   LEU 103          2HB       LEU 103   9.455   2.047  -4.530
  823    HG   LEU 103           HG       LEU 103   8.934  -0.796  -3.502
  824   1HD1  LEU 103          1HD1      LEU 103  11.266  -0.576  -4.284
  825   2HD1  LEU 103          2HD1      LEU 103  11.467   0.866  -3.263
  826   3HD1  LEU 103          3HD1      LEU 103  11.177  -0.720  -2.520
  827   1HD2  LEU 103          1HD2      LEU 103   9.375   1.873  -2.095
  828   2HD2  LEU 103          2HD2      LEU 103   7.937   0.801  -1.992
  829   3HD2  LEU 103          3HD2      LEU 103   9.446   0.316  -1.274
  830    H    PHE 104           H        PHE 104   6.054   1.065  -2.965
  831    HA   PHE 104           HA       PHE 104   4.617   3.425  -3.159
  832   1HB   PHE 104          1HB       PHE 104   4.439   1.399  -1.565
  833   2HB   PHE 104          2HB       PHE 104   5.629   2.200  -0.554
  834    HD1  PHE 104           HD1      PHE 104   4.904   4.012   0.930
  835    HD2  PHE 104           HD2      PHE 104   2.242   2.379  -2.023
  836    HE1  PHE 104           HE1      PHE 104   3.000   5.315   1.897
  837    HE2  PHE 104           HE2      PHE 104   0.382   3.656  -1.083
  838    HZ   PHE 104           HZ       PHE 104   0.747   5.182   0.847
  839    H    GLY 105           H        GLY 105   7.833   2.917  -1.661
  840   1HA   GLY 105          1HA       GLY 105   8.079   5.712  -0.835
  841   2HA   GLY 105          2HA       GLY 105   9.251   4.411  -0.601
  842    H    HIS 106           H        HIS 106   7.965   4.964  -3.852
  843    HA   HIS 106           HA       HIS 106  10.340   5.247  -5.223
  844   1HB   HIS 106          1HB       HIS 106   8.335   4.914  -6.425
  845   2HB   HIS 106          2HB       HIS 106   7.543   6.305  -5.687
  846    HD1  HIS 106           HD1      HIS 106  10.957   6.386  -7.594
  847    HD2  HIS 106           HD2      HIS 106   6.974   7.792  -7.724
  848    HE1  HIS 106           HE1      HIS 106  10.823   8.008  -9.549
  849    H    TRP 107           H        TRP 107   8.357   7.976  -3.940
  850    HA   TRP 107           HA       TRP 107  10.012  10.023  -4.881
  851   1HB   TRP 107          1HB       TRP 107   8.405  10.171  -2.324
  852   2HB   TRP 107          2HB       TRP 107   8.710  11.450  -3.493
  853    HD1  TRP 107           HD1      TRP 107   6.304   8.724  -2.609
  854    HE1  TRP 107           HE1      TRP 107   4.408   8.556  -4.281
  855    HE3  TRP 107           HE3      TRP 107   8.160  11.830  -6.252
  856    HZ2  TRP 107           HZ2      TRP 107   3.719   9.671  -6.868
  857    HZ3  TRP 107           HZ3      TRP 107   6.838  12.259  -8.309
  858    HH2  TRP 107           HH2      TRP 107   4.594  11.201  -8.604
  859    H    ASP 108           H        ASP 108  10.461   7.934  -2.119
  860    HA   ASP 108           HA       ASP 108  12.590   9.676  -0.971
  861   1HB   ASP 108          1HB       ASP 108  10.687   8.745   0.459
  862   2HB   ASP 108          2HB       ASP 108  11.349   7.137   0.167
  863    H    ASN 109           H        ASN 109  12.868   8.443  -3.541
  864    HA   ASN 109           HA       ASN 109  14.428   7.401  -4.756
  865   1HB   ASN 109          1HB       ASN 109  15.979   8.782  -3.509
  866   2HB   ASN 109          2HB       ASN 109  16.068   7.584  -2.221
  867   1HD2  ASN 109          2HD2      ASN 109  18.162   7.009  -2.313
  868   2HD2  ASN 109          1HD2      ASN 109  18.962   6.314  -3.707
  869    H    GLU 110           H        GLU 110  12.449   5.871  -4.189
  870    HA   GLU 110           HA       GLU 110  11.644   3.791  -3.852
  871   1HB   GLU 110          1HB       GLU 110  14.330   3.024  -5.066
  872   2HB   GLU 110          2HB       GLU 110  12.988   1.915  -4.810
  873   1HG   GLU 110          1HG       GLU 110  12.700   2.487  -7.005
  874   2HG   GLU 110          2HG       GLU 110  11.518   3.472  -6.152
  875    H    CYS 111           H        CYS 111  12.311   4.809  -1.479
  876    HA   CYS 111           HA       CYS 111  13.998   3.145   0.132
  877   1HB   CYS 111          1HB       CYS 111  13.141   5.450   0.674
  878   2HB   CYS 111          2HB       CYS 111  11.528   4.757   0.910
  879    HG   CYS 111           HG       CYS 111  12.821   5.363   3.153
  880    H    GLU 112           H        GLU 112  13.658   1.016   0.565
  881    HA   GLU 112           HA       GLU 112  11.021  -0.194   0.122
  882   1HB   GLU 112          1HB       GLU 112  12.123  -2.284   0.814
  883   2HB   GLU 112          2HB       GLU 112  12.819  -1.541  -0.607
  884   1HG   GLU 112          1HG       GLU 112  14.065  -1.287   2.167
  885   2HG   GLU 112          2HG       GLU 112  14.414  -2.604   1.062
  886    H    ILE 113           H        ILE 113   9.592  -0.793   1.687
  887    HA   ILE 113           HA       ILE 113   9.904   0.633   4.216
  888    HB   ILE 113           HB       ILE 113   7.598  -1.106   3.292
  889   1HG1  ILE 113          1HG1      ILE 113   7.876   0.519   1.518
  890   2HG1  ILE 113          2HG1      ILE 113   6.468   0.921   2.475
  891   1HG2  ILE 113          1HG2      ILE 113   6.242   0.327   4.788
  892   2HG2  ILE 113          2HG2      ILE 113   7.500  -0.545   5.661
  893   3HG2  ILE 113          3HG2      ILE 113   7.708   1.179   5.305
  894   1HD1  ILE 113          1HD1      ILE 113   9.131   2.350   2.761
  895   2HD1  ILE 113          2HD1      ILE 113   7.751   2.904   1.795
  896   3HD1  ILE 113          3HD1      ILE 113   7.577   2.754   3.546
  897    HA   PRO 114           HA       PRO 114  11.282  -3.117   6.408
  898   1HB   PRO 114          1HB       PRO 114   9.871  -1.909   8.765
  899   2HB   PRO 114          2HB       PRO 114  11.535  -2.540   8.651
  900   1HG   PRO 114          1HG       PRO 114  11.033   0.148   8.683
  901   2HG   PRO 114          2HG       PRO 114  12.325  -0.550   7.655
  902   1HD   PRO 114          1HD       PRO 114   9.554   0.331   6.840
  903   2HD   PRO 114          2HD       PRO 114  11.116   0.546   5.998
  904    H    ASP 115           H        ASP 115  10.237  -5.042   7.324
  905    HA   ASP 115           HA       ASP 115   7.335  -5.238   6.666
  906   1HB   ASP 115          1HB       ASP 115   8.874  -6.736   5.497
  907   2HB   ASP 115          2HB       ASP 115   9.425  -7.400   7.034
  908    HA   PRO 116           HA       PRO 116   7.268  -5.091  11.177
  909   1HB   PRO 116          1HB       PRO 116   4.649  -4.556  11.626
  910   2HB   PRO 116          2HB       PRO 116   5.752  -3.343  10.920
  911   1HG   PRO 116          1HG       PRO 116   3.842  -5.203   9.458
  912   2HG   PRO 116          2HG       PRO 116   4.024  -3.432   9.252
  913   1HD   PRO 116          1HD       PRO 116   5.280  -5.240   7.618
  914   2HD   PRO 116          2HD       PRO 116   6.049  -3.689   8.068
  915    H    TYR 117           H        TYR 117   5.727  -7.471   9.177
  916    HA   TYR 117           HA       TYR 117   4.157  -9.059   9.603
  917   1HB   TYR 117          1HB       TYR 117   6.319 -10.030   9.141
  918   2HB   TYR 117          2HB       TYR 117   6.745 -10.018  10.846
  919    HD1  TYR 117           HD1      TYR 117   3.794 -11.153   8.767
  920    HD2  TYR 117           HD2      TYR 117   6.654 -12.159  11.841
  921    HE1  TYR 117           HE1      TYR 117   2.727 -13.372   9.025
  922    HE2  TYR 117           HE2      TYR 117   5.594 -14.379  12.108
  923    HH   TYR 117           HH       TYR 117   2.750 -15.410  10.161
  924    H    ARG 118           H        ARG 118   5.817  -9.708  12.707
  925    HA   ARG 118           HA       ARG 118   3.310  -9.147  14.200
  926   1HB   ARG 118          1HB       ARG 118   4.845 -11.790  14.121
  927   2HB   ARG 118          2HB       ARG 118   3.737 -11.391  15.415
  928   1HG   ARG 118          1HG       ARG 118   2.977 -11.692  12.484
  929   2HG   ARG 118          2HG       ARG 118   2.685 -12.852  13.772
  930   1HD   ARG 118          1HD       ARG 118   1.434 -10.113  13.443
  931   2HD   ARG 118          2HD       ARG 118   0.628 -11.673  13.329
  932    HE   ARG 118           HE       ARG 118   1.184 -12.001  15.761
  933   1HH1  ARG 118          1HH2      ARG 118   0.392  -8.791  14.492
  934   2HH1  ARG 118          2HH2      ARG 118   0.610  -7.968  16.004
  935   1HH2  ARG 118          1HH1      ARG 118   1.158 -10.972  17.833
  936   2HH2  ARG 118          2HH1      ARG 118   0.835  -9.284  17.960
  937    H    LYS 119           H        LYS 119   5.878  -7.755  13.891
  938    HA   LYS 119           HA       LYS 119   7.545  -8.375  16.213
  939   1HB   LYS 119          1HB       LYS 119   7.608  -6.130  14.144
  940   2HB   LYS 119          2HB       LYS 119   8.873  -6.437  15.338
  941   1HG   LYS 119          1HG       LYS 119   9.403  -8.596  14.385
  942   2HG   LYS 119          2HG       LYS 119   8.032  -8.516  13.269
  943   1HD   LYS 119          1HD       LYS 119   9.015  -6.544  12.164
  944   2HD   LYS 119          2HD       LYS 119  10.438  -6.655  13.228
  945   1HE   LYS 119          1HE       LYS 119  10.992  -8.860  12.346
  946   2HE   LYS 119          2HE       LYS 119   9.474  -8.931  11.440
  947   1HZ   LYS 119          1HZ       LYS 119  11.318  -8.327  10.013
  948   2HZ   LYS 119          2HZ       LYS 119  10.229  -7.102  10.083
  949   3HZ   LYS 119          3HZ       LYS 119  11.655  -7.003  10.905
  950    H    SER 120           H        SER 120   8.288  -6.066  17.307
  951    HA   SER 120           HA       SER 120   6.268  -5.529  19.185
  952   1HB   SER 120          1HB       SER 120   8.681  -3.796  18.510
  953   2HB   SER 120          2HB       SER 120   7.850  -3.918  20.072
  954    HG   SER 120           HG       SER 120   9.766  -5.177  20.008
  955    H    ARG 121           H        ARG 121   5.144  -3.536  19.672
  956    HA   ARG 121           HA       ARG 121   3.779  -2.390  17.482
  957   1HB   ARG 121          1HB       ARG 121   3.021  -2.554  19.896
  958   2HB   ARG 121          2HB       ARG 121   4.075  -1.184  20.270
  959   1HG   ARG 121          1HG       ARG 121   2.774   0.233  18.684
  960   2HG   ARG 121          2HG       ARG 121   1.770  -1.170  18.269
  961   1HD   ARG 121          1HD       ARG 121   1.096  -1.335  20.687
  962   2HD   ARG 121          2HD       ARG 121   1.965   0.166  21.005
  963    HE   ARG 121           HE       ARG 121  -0.631  -0.198  19.721
  964   1HH1  ARG 121          2HH2      ARG 121   2.047   2.187  20.092
  965   2HH1  ARG 121          1HH2      ARG 121   0.946   3.517  19.765
  966   1HH2  ARG 121          1HH1      ARG 121  -1.903   1.619  19.323
  967   2HH2  ARG 121          2HH1      ARG 121  -1.157   3.227  19.342
  968    H    GLU 122           H        GLU 122   6.765  -1.332  19.111
  969    HA   GLU 122           HA       GLU 122   6.918   1.258  17.980
  970   1HB   GLU 122          1HB       GLU 122   8.302   0.387  19.848
  971   2HB   GLU 122          2HB       GLU 122   9.162  -0.671  18.719
  972   1HG   GLU 122          1HG       GLU 122  10.018   1.300  17.499
  973   2HG   GLU 122          2HG       GLU 122   9.070   2.375  18.530
  974    H    THR 123           H        THR 123   7.734  -1.969  16.604
  975    HA   THR 123           HA       THR 123   9.082  -0.890  14.288
  976    HB   THR 123           HB       THR 123   7.703  -3.594  14.551
  977    HG1  THR 123           1HG      THR 123   9.694  -4.291  15.428
  978   1HG2  THR 123          1HG2      THR 123   8.563  -3.053  12.300
  979   2HG2  THR 123          2HG2      THR 123  10.150  -2.644  12.986
  980   3HG2  THR 123          3HG2      THR 123   9.551  -4.314  13.049
  981    H    PHE 124           H        PHE 124   5.688  -1.934  15.007
  982    HA   PHE 124           HA       PHE 124   4.661  -1.343  12.405
  983   1HB   PHE 124          1HB       PHE 124   3.392  -1.481  15.155
  984   2HB   PHE 124          2HB       PHE 124   2.486  -0.954  13.749
  985    HD1  PHE 124           HD1      PHE 124   1.692  -2.473  12.074
  986    HD2  PHE 124           HD2      PHE 124   4.287  -3.872  15.227
  987    HE1  PHE 124           HE1      PHE 124   1.127  -4.828  11.516
  988    HE2  PHE 124           HE2      PHE 124   3.721  -6.211  14.648
  989    HZ   PHE 124           HZ       PHE 124   2.117  -6.690  12.813
  990    H    ALA 125           H        ALA 125   5.197   0.771  15.290
  991    HA   ALA 125           HA       ALA 125   4.013   3.092  14.124
  992   1HB   ALA 125          1HB       ALA 125   4.473   2.838  16.544
  993   2HB   ALA 125          2HB       ALA 125   6.221   2.934  16.217
  994   3HB   ALA 125          3HB       ALA 125   5.176   4.323  15.873
  995    H    ALA 126           H        ALA 126   7.419   1.894  14.026
  996    HA   ALA 126           HA       ALA 126   8.480   4.103  12.565
  997   1HB   ALA 126          1HB       ALA 126   9.328   1.168  12.524
  998   2HB   ALA 126          2HB       ALA 126  10.290   2.548  11.961
  999   3HB   ALA 126          3HB       ALA 126   9.881   2.399  13.681
 1000    H    VAL 127           H        VAL 127   7.113   0.969  11.404
 1001    HA   VAL 127           HA       VAL 127   7.300   1.553   8.643
 1002    HB   VAL 127           HB       VAL 127   5.490  -0.261  10.281
 1003   1HG1  VAL 127          1HG1      VAL 127   5.653  -0.090   7.243
 1004   2HG1  VAL 127          2HG1      VAL 127   4.930  -1.429   8.158
 1005   3HG1  VAL 127          3HG1      VAL 127   4.214   0.182   8.248
 1006   1HG2  VAL 127          1HG2      VAL 127   6.955  -2.015   9.353
 1007   2HG2  VAL 127          2HG2      VAL 127   7.822  -0.807   8.391
 1008   3HG2  VAL 127          3HG2      VAL 127   7.938  -0.796  10.161
 1009    H    TYR 128           H        TYR 128   4.567   2.214  10.951
 1010    HA   TYR 128           HA       TYR 128   2.854   3.388   9.066
 1011   1HB   TYR 128          1HB       TYR 128   2.217   2.805  11.384
 1012   2HB   TYR 128          2HB       TYR 128   3.205   4.125  12.003
 1013    HD1  TYR 128           HD1      TYR 128   2.607   6.546  11.333
 1014    HD2  TYR 128           HD2      TYR 128  -0.025   3.195  10.644
 1015    HE1  TYR 128           HE1      TYR 128   0.764   8.103  10.858
 1016    HE2  TYR 128           HE2      TYR 128  -1.898   4.755  10.230
 1017    HH   TYR 128           HH       TYR 128  -2.574   6.991  10.113
 1018    H    THR 129           H        THR 129   5.488   4.947  11.006
 1019    HA   THR 129           HA       THR 129   4.945   7.578  10.081
 1020    HB   THR 129           HB       THR 129   7.591   6.386  11.028
 1021    HG1  THR 129           1HG      THR 129   6.027   5.983  12.557
 1022   1HG2  THR 129          1HG2      THR 129   6.520   9.247  11.110
 1023   2HG2  THR 129          2HG2      THR 129   8.022   8.683  11.880
 1024   3HG2  THR 129          3HG2      THR 129   7.872   8.658  10.119
 1025    H    LEU 130           H        LEU 130   7.111   5.009   8.765
 1026    HA   LEU 130           HA       LEU 130   8.180   6.699   6.708
 1027   1HB   LEU 130          1HB       LEU 130   9.265   4.666   7.622
 1028   2HB   LEU 130          2HB       LEU 130   7.997   3.664   6.911
 1029    HG   LEU 130           HG       LEU 130   8.717   4.246   4.664
 1030   1HD1  LEU 130          1HD1      LEU 130  10.770   6.063   5.998
 1031   2HD1  LEU 130          2HD1      LEU 130  10.805   5.583   4.283
 1032   3HD1  LEU 130          3HD1      LEU 130   9.461   6.550   4.879
 1033   1HD2  LEU 130          1HD2      LEU 130  10.908   3.164   4.685
 1034   2HD2  LEU 130          2HD2      LEU 130  11.076   3.501   6.427
 1035   3HD2  LEU 130          3HD2      LEU 130   9.803   2.410   5.843
 1036    H    LEU 131           H        LEU 131   5.371   4.488   6.853
 1037    HA   LEU 131           HA       LEU 131   4.628   4.822   4.080
 1038   1HB   LEU 131          1HB       LEU 131   3.005   4.056   6.544
 1039   2HB   LEU 131          2HB       LEU 131   2.337   4.126   4.920
 1040    HG   LEU 131           HG       LEU 131   4.574   2.255   5.804
 1041   1HD1  LEU 131          1HD1      LEU 131   2.890   0.495   5.550
 1042   2HD1  LEU 131          2HD1      LEU 131   2.346   1.693   6.732
 1043   3HD1  LEU 131          3HD1      LEU 131   1.663   1.696   5.089
 1044   1HD2  LEU 131          1HD2      LEU 131   4.169   1.153   3.595
 1045   2HD2  LEU 131          2HD2      LEU 131   3.181   2.554   3.122
 1046   3HD2  LEU 131          3HD2      LEU 131   4.914   2.745   3.467
 1047    H    GLU 132           H        GLU 132   3.864   6.680   7.083
 1048    HA   GLU 132           HA       GLU 132   1.941   8.385   5.924
 1049   1HB   GLU 132          1HB       GLU 132   2.463   8.176   8.370
 1050   2HB   GLU 132          2HB       GLU 132   3.962   9.074   8.098
 1051   1HG   GLU 132          1HG       GLU 132   2.524  10.961   7.160
 1052   2HG   GLU 132          2HG       GLU 132   1.115  10.077   7.746
 1053    H    ARG 133           H        ARG 133   5.535   8.819   6.185
 1054    HA   ARG 133           HA       ARG 133   5.714  11.233   4.704
 1055   1HB   ARG 133          1HB       ARG 133   7.627   8.847   4.839
 1056   2HB   ARG 133          2HB       ARG 133   7.984  10.338   3.965
 1057   1HG   ARG 133          1HG       ARG 133   7.754  11.635   6.065
 1058   2HG   ARG 133          2HG       ARG 133   7.423  10.127   6.936
 1059   1HD   ARG 133          1HD       ARG 133   9.769  10.788   7.215
 1060   2HD   ARG 133          2HD       ARG 133   9.641   9.258   6.350
 1061    HE   ARG 133           HE       ARG 133  10.224  11.930   5.123
 1062   1HH1  ARG 133          1HH2      ARG 133  10.740   8.405   5.084
 1063   2HH1  ARG 133          2HH2      ARG 133  11.803   8.440   3.711
 1064   1HH2  ARG 133          1HH1      ARG 133  11.715  11.958   3.365
 1065   2HH2  ARG 133          2HH1      ARG 133  12.381  10.474   2.752
 1066    H    SER 134           H        SER 134   5.943   7.876   3.498
 1067    HA   SER 134           HA       SER 134   6.327   8.604   0.797
 1068   1HB   SER 134          1HB       SER 134   5.125   6.057   1.934
 1069   2HB   SER 134          2HB       SER 134   5.853   6.249   0.323
 1070    HG   SER 134           HG       SER 134   7.071   6.279   2.888
 1071    H    ALA 135           H        ALA 135   3.281   7.845   2.560
 1072    HA   ALA 135           HA       ALA 135   1.565   8.099   0.307
 1073   1HB   ALA 135          1HB       ALA 135  -0.224   8.305   1.990
 1074   2HB   ALA 135          2HB       ALA 135   0.883   6.980   2.398
 1075   3HB   ALA 135          3HB       ALA 135   0.992   8.522   3.271
 1076    H    ARG 136           H        ARG 136   2.842  10.546   2.657
 1077    HA   ARG 136           HA       ARG 136   1.180  12.667   1.636
 1078   1HB   ARG 136          1HB       ARG 136   2.347  12.612   3.858
 1079   2HB   ARG 136          2HB       ARG 136   3.886  12.883   3.036
 1080   1HG   ARG 136          1HG       ARG 136   3.101  15.047   2.172
 1081   2HG   ARG 136          2HG       ARG 136   1.479  14.760   2.822
 1082   1HD   ARG 136          1HD       ARG 136   4.028  15.040   4.461
 1083   2HD   ARG 136          2HD       ARG 136   2.805  16.303   4.242
 1084    HE   ARG 136           HE       ARG 136   1.220  14.433   5.199
 1085   1HH1  ARG 136          1HH2      ARG 136   4.496  15.134   6.420
 1086   2HH1  ARG 136          2HH2      ARG 136   4.213  14.351   7.934
 1087   1HH2  ARG 136          1HH1      ARG 136   0.885  13.433   7.144
 1088   2HH2  ARG 136          2HH1      ARG 136   2.167  13.268   8.316
 1089    H    GLN 137           H        GLN 137   4.470  11.472   0.777
 1090    HA   GLN 137           HA       GLN 137   4.989  13.497  -1.161
 1091   1HB   GLN 137          1HB       GLN 137   5.961  10.624  -0.984
 1092   2HB   GLN 137          2HB       GLN 137   6.612  11.847  -2.076
 1093   1HG   GLN 137          1HG       GLN 137   6.593  12.363   0.914
 1094   2HG   GLN 137          2HG       GLN 137   7.799  11.308   0.192
 1095   1HE2  GLN 137          2HE2      GLN 137   9.415  12.811   0.957
 1096   2HE2  GLN 137          1HE2      GLN 137   9.718  14.294   0.079
 1097    H    TRP 138           H        TRP 138   3.391  10.252  -1.451
 1098    HA   TRP 138           HA       TRP 138   2.696  10.507  -4.179
 1099   1HB   TRP 138          1HB       TRP 138   1.616   8.952  -1.851
 1100   2HB   TRP 138          2HB       TRP 138   0.580   9.142  -3.262
 1101    HD1  TRP 138           HD1      TRP 138   3.505   7.138  -2.066
 1102    HE1  TRP 138           HE1      TRP 138   4.497   5.736  -3.930
 1103    HE3  TRP 138           HE3      TRP 138   0.764   8.999  -5.968
 1104    HZ2  TRP 138           HZ2      TRP 138   4.313   5.625  -6.859
 1105    HZ3  TRP 138           HZ3      TRP 138   1.195   8.229  -8.286
 1106    HH2  TRP 138           HH2      TRP 138   2.997   6.583  -8.743
 1107    H    ALA 139           H        ALA 139   0.873  11.661  -1.254
 1108    HA   ALA 139           HA       ALA 139  -1.276  12.742  -2.689
 1109   1HB   ALA 139          1HB       ALA 139  -1.690  14.099  -0.700
 1110   2HB   ALA 139          2HB       ALA 139  -1.213  12.451  -0.230
 1111   3HB   ALA 139          3HB       ALA 139  -0.057  13.796  -0.099
 1112    H    GLN 140           H        GLN 140   1.903  14.239  -1.943
 1113    HA   GLN 140           HA       GLN 140   1.345  16.818  -2.941
 1114   1HB   GLN 140          1HB       GLN 140   3.293  16.326  -1.597
 1115   2HB   GLN 140          2HB       GLN 140   3.902  15.181  -2.779
 1116   1HG   GLN 140          1HG       GLN 140   5.210  17.169  -2.844
 1117   2HG   GLN 140          2HG       GLN 140   4.365  16.979  -4.373
 1118   1HE2  GLN 140          2HE2      GLN 140   2.411  18.398  -4.766
 1119   2HE2  GLN 140          1HE2      GLN 140   2.362  19.960  -3.969
 1120    H    ALA 141           H        ALA 141   2.389  13.839  -4.692
 1121    HA   ALA 141           HA       ALA 141   2.598  15.206  -7.241
 1122   1HB   ALA 141          1HB       ALA 141   3.900  13.202  -6.727
 1123   2HB   ALA 141          2HB       ALA 141   2.412  12.247  -6.526
 1124   3HB   ALA 141          3HB       ALA 141   2.830  12.905  -8.116
 1125    H    LEU 142           H        LEU 142   0.161  13.058  -5.730
 1126    HA   LEU 142           HA       LEU 142  -1.681  12.993  -7.884
 1127   1HB   LEU 142          1HB       LEU 142  -2.113  12.837  -4.878
 1128   2HB   LEU 142          2HB       LEU 142  -3.392  12.525  -6.043
 1129    HG   LEU 142           HG       LEU 142  -0.793  10.935  -5.952
 1130   1HD1  LEU 142          1HD1      LEU 142  -2.023  10.643  -3.844
 1131   2HD1  LEU 142          2HD1      LEU 142  -3.504  10.249  -4.744
 1132   3HD1  LEU 142          3HD1      LEU 142  -2.091   9.172  -4.825
 1133   1HD2  LEU 142          1HD2      LEU 142  -3.435  10.318  -7.320
 1134   2HD2  LEU 142          2HD2      LEU 142  -1.936  10.829  -8.131
 1135   3HD2  LEU 142          3HD2      LEU 142  -1.994   9.288  -7.280
 1136    H    ASN 143           H        ASN 143  -1.445  15.320  -5.147
 1137    HA   ASN 143           HA       ASN 143  -3.589  17.016  -5.938
 1138   1HB   ASN 143          1HB       ASN 143  -2.510  17.185  -3.728
 1139   2HB   ASN 143          2HB       ASN 143  -0.987  17.659  -4.481
 1140   1HD2  ASN 143          2HD2      ASN 143  -0.632  19.881  -4.631
 1141   2HD2  ASN 143          1HD2      ASN 143  -1.893  21.084  -4.594
 1142    H    ALA 144           H        ALA 144  -0.131  16.942  -6.911
 1143    HA   ALA 144           HA       ALA 144  -0.494  19.181  -8.725
 1144   1HB   ALA 144          1HB       ALA 144   1.877  17.281  -8.363
 1145   2HB   ALA 144          2HB       ALA 144   1.904  18.827  -9.237
 1146   3HB   ALA 144          3HB       ALA 144   1.658  18.813  -7.483
 1147    H    GLU 145           H        GLU 145  -2.000  16.700  -9.020
 1148    HA   GLU 145           HA       GLU 145  -2.715  15.171 -10.583
 1149   1HB   GLU 145          1HB       GLU 145  -3.652  17.560 -10.924
 1150   2HB   GLU 145          2HB       GLU 145  -2.637  17.635 -12.364
 1151   1HG   GLU 145          1HG       GLU 145  -3.832  15.547 -13.200
 1152   2HG   GLU 145          2HG       GLU 145  -4.831  15.602 -11.748
 1153    H    GLN 146           H        GLN 146  -0.147  14.564 -10.357
 1154    HA   GLN 146           HA       GLN 146   1.208  14.574 -12.873
 1155   1HB   GLN 146          1HB       GLN 146   1.550  12.785 -10.432
 1156   2HB   GLN 146          2HB       GLN 146   2.627  12.782 -11.831
 1157   1HG   GLN 146          1HG       GLN 146   2.157  15.139  -9.957
 1158   2HG   GLN 146          2HG       GLN 146   3.591  14.131 -10.042
 1159   1HE2  GLN 146          2HE2      GLN 146   1.767  16.753 -11.587
 1160   2HE2  GLN 146          1HE2      GLN 146   3.029  17.206 -12.713
 1161    H    VAL 147           H        VAL 147   1.734  12.844 -14.147
 1162    HA   VAL 147           HA       VAL 147  -0.343  10.842 -14.732
 1163    HB   VAL 147           HB       VAL 147  -0.309  11.687 -17.112
 1164   1HG1  VAL 147          1HG1      VAL 147  -2.178  12.242 -15.563
 1165   2HG1  VAL 147          2HG1      VAL 147  -1.363  13.756 -15.137
 1166   3HG1  VAL 147          3HG1      VAL 147  -1.916  13.482 -16.797
 1167   1HG2  VAL 147          1HG2      VAL 147   0.954  14.224 -15.955
 1168   2HG2  VAL 147          2HG2      VAL 147   1.771  13.065 -17.028
 1169   3HG2  VAL 147          3HG2      VAL 147   0.380  13.981 -17.614
  Start of MODEL   16
    1    H    MET   1           H        MET   1  -0.603  11.357 -13.851
    2    HA   MET   1           HA       MET   1  -1.070   9.447 -12.603
    3   1HB   MET   1          1HB       MET   1  -2.349  10.273 -10.739
    4   2HB   MET   1          2HB       MET   1  -1.286  11.532 -11.335
    5   1HG   MET   1          1HG       MET   1  -3.344  12.473 -10.630
    6   2HG   MET   1          2HG       MET   1  -3.220  12.673 -12.358
    7   1HE   MET   1          1HE       MET   1  -5.572  13.006 -13.281
    8   2HE   MET   1          2HE       MET   1  -4.733  11.670 -14.092
    9   3HE   MET   1          3HE       MET   1  -6.453  11.511 -13.664
   10    H    PHE   2           H        PHE   2  -2.946   8.155 -11.418
   11    HA   PHE   2           HA       PHE   2  -5.220   7.757 -13.273
   12   1HB   PHE   2          1HB       PHE   2  -3.732   5.404 -12.094
   13   2HB   PHE   2          2HB       PHE   2  -4.882   5.436 -13.422
   14    HD1  PHE   2           HD1      PHE   2  -4.138   6.355 -15.695
   15    HD2  PHE   2           HD2      PHE   2  -1.395   5.893 -12.416
   16    HE1  PHE   2           HE1      PHE   2  -2.229   6.755 -17.226
   17    HE2  PHE   2           HE2      PHE   2   0.509   6.326 -13.916
   18    HZ   PHE   2           HZ       PHE   2   0.106   6.735 -16.352
   19    H    ASN   3           H        ASN   3  -7.045   7.859 -12.092
   20    HA   ASN   3           HA       ASN   3  -6.856   8.491  -9.318
   21   1HB   ASN   3          1HB       ASN   3  -8.488   9.527 -10.843
   22   2HB   ASN   3          2HB       ASN   3  -9.275   7.965 -11.097
   23   1HD2  ASN   3          2HD2      ASN   3  -8.516  10.392  -8.507
   24   2HD2  ASN   3          1HD2      ASN   3  -9.910   9.984  -7.523
   25    H    ASN   4           H        ASN   4  -7.133   5.396 -10.802
   26    HA   ASN   4           HA       ASN   4  -8.629   4.233  -8.486
   27   1HB   ASN   4          1HB       ASN   4  -9.768   4.178 -10.723
   28   2HB   ASN   4          2HB       ASN   4  -8.387   3.281 -11.371
   29   1HD2  ASN   4          2HD2      ASN   4  -9.809   1.525 -11.925
   30   2HD2  ASN   4          1HD2      ASN   4 -10.239   0.364 -10.701
   31    H    ILE   5           H        ILE   5  -7.147   3.394  -7.106
   32    HA   ILE   5           HA       ILE   5  -4.667   2.166  -8.245
   33    HB   ILE   5           HB       ILE   5  -5.101   3.876  -5.769
   34   1HG1  ILE   5          1HG1      ILE   5  -3.980   4.537  -8.513
   35   2HG1  ILE   5          2HG1      ILE   5  -5.331   5.282  -7.679
   36   1HG2  ILE   5          1HG2      ILE   5  -3.249   2.300  -5.366
   37   2HG2  ILE   5          2HG2      ILE   5  -2.461   2.850  -6.864
   38   3HG2  ILE   5          3HG2      ILE   5  -2.672   3.932  -5.460
   39   1HD1  ILE   5          1HD1      ILE   5  -3.810   6.237  -6.016
   40   2HD1  ILE   5          2HD1      ILE   5  -2.417   5.615  -6.924
   41   3HD1  ILE   5          3HD1      ILE   5  -3.490   6.798  -7.677
   42    H    LEU   6           H        LEU   6  -3.687   0.467  -7.141
   43    HA   LEU   6           HA       LEU   6  -5.242  -0.808  -4.911
   44   1HB   LEU   6          1HB       LEU   6  -5.357  -2.066  -7.096
   45   2HB   LEU   6          2HB       LEU   6  -3.603  -2.168  -7.086
   46    HG   LEU   6           HG       LEU   6  -3.694  -3.526  -5.013
   47   1HD1  LEU   6          1HD1      LEU   6  -5.746  -2.789  -3.974
   48   2HD1  LEU   6          2HD1      LEU   6  -6.708  -3.306  -5.372
   49   3HD1  LEU   6          3HD1      LEU   6  -5.903  -4.504  -4.331
   50   1HD2  LEU   6          1HD2      LEU   6  -5.404  -4.555  -7.313
   51   2HD2  LEU   6          2HD2      LEU   6  -3.635  -4.658  -7.173
   52   3HD2  LEU   6          3HD2      LEU   6  -4.670  -5.555  -6.050
   53    H    VAL   7           H        VAL   7  -3.921  -1.536  -3.177
   54    HA   VAL   7           HA       VAL   7  -0.976  -1.225  -3.520
   55    HB   VAL   7           HB       VAL   7  -2.423  -0.903  -0.872
   56   1HG1  VAL   7          1HG1      VAL   7   0.350  -0.133  -1.907
   57   2HG1  VAL   7          2HG1      VAL   7  -0.276   0.243  -0.299
   58   3HG1  VAL   7          3HG1      VAL   7  -0.028  -1.442  -0.768
   59   1HG2  VAL   7          1HG2      VAL   7  -3.282   0.931  -2.234
   60   2HG2  VAL   7          2HG2      VAL   7  -2.099   1.558  -1.090
   61   3HG2  VAL   7          3HG2      VAL   7  -1.647   1.339  -2.796
   62    H    VAL   8           H        VAL   8   0.262  -2.982  -2.894
   63    HA   VAL   8           HA       VAL   8  -1.239  -5.370  -1.927
   64    HB   VAL   8           HB       VAL   8   0.741  -5.361  -4.228
   65   1HG1  VAL   8          1HG1      VAL   8  -0.170  -7.587  -4.697
   66   2HG1  VAL   8          2HG1      VAL   8   0.430  -7.533  -3.038
   67   3HG1  VAL   8          3HG1      VAL   8  -1.319  -7.436  -3.353
   68   1HG2  VAL   8          1HG2      VAL   8  -1.152  -4.103  -5.057
   69   2HG2  VAL   8          2HG2      VAL   8  -1.286  -5.736  -5.703
   70   3HG2  VAL   8          3HG2      VAL   8  -2.298  -5.254  -4.333
   71    H    CYS   9           H        CYS   9  -0.186  -6.534  -0.330
   72    HA   CYS   9           HA       CYS   9   2.763  -6.374  -0.228
   73   1HB   CYS   9          1HB       CYS   9   2.895  -5.751   2.065
   74   2HB   CYS   9          2HB       CYS   9   1.876  -4.559   1.249
   75    HG   CYS   9           HG       CYS   9   1.103  -7.053   3.289
   76    H    VAL  10           H        VAL  10   3.455  -7.933   1.880
   77    HA   VAL  10           HA       VAL  10   2.251 -10.553   1.162
   78    HB   VAL  10           HB       VAL  10   3.750 -11.356   3.062
   79   1HG1  VAL  10          1HG1      VAL  10   4.294 -11.755   0.753
   80   2HG1  VAL  10          2HG1      VAL  10   4.944 -10.123   0.555
   81   3HG1  VAL  10          3HG1      VAL  10   5.776 -11.298   1.602
   82   1HG2  VAL  10          1HG2      VAL  10   4.168  -9.176   4.185
   83   2HG2  VAL  10          2HG2      VAL  10   5.656 -10.002   3.718
   84   3HG2  VAL  10          3HG2      VAL  10   5.082  -8.623   2.768
   85    H    GLY  11           H        GLY  11   0.891 -11.716   2.610
   86   1HA   GLY  11          1HA       GLY  11  -0.590 -12.027   4.333
   87   2HA   GLY  11          2HA       GLY  11   0.150 -10.661   5.175
   88    H    ASN  12           H        ASN  12  -0.449  -8.765   2.892
   89    HA   ASN  12           HA       ASN  12  -2.018  -7.256   2.293
   90   1HB   ASN  12          1HB       ASN  12  -3.448  -9.154   1.543
   91   2HB   ASN  12          2HB       ASN  12  -4.167  -9.219   3.140
   92   1HD2  ASN  12          2HD2      ASN  12  -4.228  -6.025   3.183
   93   2HD2  ASN  12          1HD2      ASN  12  -5.799  -5.872   2.419
   94    H    ILE  13           H        ILE  13  -2.825  -8.893   5.368
   95    HA   ILE  13           HA       ILE  13  -4.466  -7.114   6.508
   96    HB   ILE  13           HB       ILE  13  -3.830  -8.081   8.665
   97   1HG1  ILE  13          1HG1      ILE  13  -1.500  -9.411   7.195
   98   2HG1  ILE  13          2HG1      ILE  13  -1.338  -8.073   8.327
   99   1HG2  ILE  13          1HG2      ILE  13  -3.760 -10.282   6.569
  100   2HG2  ILE  13          2HG2      ILE  13  -4.499 -10.292   8.177
  101   3HG2  ILE  13          3HG2      ILE  13  -5.210  -9.313   6.898
  102   1HD1  ILE  13          1HD1      ILE  13  -0.806 -10.116   9.475
  103   2HD1  ILE  13          2HD1      ILE  13  -2.341  -9.505  10.124
  104   3HD1  ILE  13          3HD1      ILE  13  -2.331 -10.868   8.987
  105    H    CYS  14           H        CYS  14  -1.211  -6.046   5.979
  106    HA   CYS  14           HA       CYS  14  -1.528  -4.078   8.218
  107   1HB   CYS  14          1HB       CYS  14   0.967  -4.266   8.506
  108   2HB   CYS  14          2HB       CYS  14   0.003  -5.650   9.033
  109    HG   CYS  14           HG       CYS  14   2.250  -6.491   8.005
  110    H    ARG  15           H        ARG  15   0.930  -4.374   5.540
  111    HA   ARG  15           HA       ARG  15   1.089  -1.520   5.602
  112   1HB   ARG  15          1HB       ARG  15   2.277  -3.458   3.578
  113   2HB   ARG  15          2HB       ARG  15   2.645  -1.736   3.714
  114   1HG   ARG  15          1HG       ARG  15   3.346  -2.127   6.112
  115   2HG   ARG  15          2HG       ARG  15   3.235  -3.863   5.808
  116   1HD   ARG  15          1HD       ARG  15   5.013  -1.907   4.276
  117   2HD   ARG  15          2HD       ARG  15   5.543  -2.926   5.608
  118    HE   ARG  15           HE       ARG  15   4.303  -4.452   3.473
  119   1HH1  ARG  15          1HH1      ARG  15   7.438  -3.101   4.635
  120   2HH1  ARG  15          2HH1      ARG  15   8.345  -4.158   3.593
  121   1HH2  ARG  15          1HH2      ARG  15   5.744  -5.820   2.078
  122   2HH2  ARG  15          2HH2      ARG  15   7.449  -5.674   2.394
  123    H    SER  16           H        SER  16  -0.504  -3.685   3.155
  124    HA   SER  16           HA       SER  16  -1.186  -1.654   1.387
  125   1HB   SER  16          1HB       SER  16  -2.894  -4.074   2.036
  126   2HB   SER  16          2HB       SER  16  -2.962  -3.061   0.580
  127    HG   SER  16           HG       SER  16  -1.762  -5.009   0.360
  128    HA   PRO  17           HA       PRO  17  -5.276  -0.650   3.547
  129   1HB   PRO  17          1HB       PRO  17  -5.746  -1.303   6.193
  130   2HB   PRO  17          2HB       PRO  17  -6.260  -2.280   4.784
  131   1HG   PRO  17          1HG       PRO  17  -3.795  -2.635   6.504
  132   2HG   PRO  17          2HG       PRO  17  -4.945  -3.888   5.941
  133   1HD   PRO  17          1HD       PRO  17  -2.610  -3.488   4.645
  134   2HD   PRO  17          2HD       PRO  17  -4.117  -3.805   3.737
  135    H    THR  18           H        THR  18  -2.286  -0.628   5.548
  136    HA   THR  18           HA       THR  18  -2.898   1.830   6.902
  137    HB   THR  18           HB       THR  18  -0.185   0.640   6.197
  138    HG1  THR  18           1HG      THR  18  -1.239  -0.833   7.412
  139   1HG2  THR  18          1HG2      THR  18   0.075   2.946   6.942
  140   2HG2  THR  18          2HG2      THR  18  -1.059   2.688   8.285
  141   3HG2  THR  18          3HG2      THR  18   0.525   1.880   8.278
  142    H    ALA  19           H        ALA  19  -0.996   1.156   3.869
  143    HA   ALA  19           HA       ALA  19  -0.557   3.899   3.222
  144   1HB   ALA  19          1HB       ALA  19  -0.240   3.002   0.884
  145   2HB   ALA  19          2HB       ALA  19   0.725   2.154   2.122
  146   3HB   ALA  19          3HB       ALA  19  -0.762   1.415   1.483
  147    H    GLU  20           H        GLU  20  -3.178   1.628   2.257
  148    HA   GLU  20           HA       GLU  20  -4.515   3.288   0.425
  149   1HB   GLU  20          1HB       GLU  20  -4.923   0.872   0.781
  150   2HB   GLU  20          2HB       GLU  20  -5.551   1.219   2.392
  151   1HG   GLU  20          1HG       GLU  20  -7.244   2.772   0.909
  152   2HG   GLU  20          2HG       GLU  20  -6.832   1.538  -0.273
  153    H    ARG  21           H        ARG  21  -5.079   2.918   3.981
  154    HA   ARG  21           HA       ARG  21  -7.198   4.870   3.989
  155   1HB   ARG  21          1HB       ARG  21  -5.476   3.630   6.178
  156   2HB   ARG  21          2HB       ARG  21  -6.809   4.720   6.496
  157   1HG   ARG  21          1HG       ARG  21  -7.115   2.050   5.050
  158   2HG   ARG  21          2HG       ARG  21  -7.411   2.360   6.755
  159   1HD   ARG  21          1HD       ARG  21  -9.033   4.246   5.777
  160   2HD   ARG  21          2HD       ARG  21  -9.023   3.208   4.355
  161    HE   ARG  21           HE       ARG  21  -9.927   2.551   7.143
  162   1HH1  ARG  21          1HH2      ARG  21  -9.733   1.340   3.734
  163   2HH1  ARG  21          2HH2      ARG  21 -11.051   0.260   3.974
  164   1HH2  ARG  21          1HH1      ARG  21 -11.473   0.873   7.418
  165   2HH2  ARG  21          2HH1      ARG  21 -12.027  -0.015   6.043
  166    H    LEU  22           H        LEU  22  -3.674   5.097   4.649
  167    HA   LEU  22           HA       LEU  22  -3.687   7.828   5.506
  168   1HB   LEU  22          1HB       LEU  22  -1.655   6.105   4.039
  169   2HB   LEU  22          2HB       LEU  22  -1.331   7.782   4.450
  170    HG   LEU  22           HG       LEU  22  -2.145   5.805   6.613
  171   1HD1  LEU  22          1HD1      LEU  22   0.318   5.558   7.055
  172   2HD1  LEU  22          2HD1      LEU  22  -0.195   4.834   5.521
  173   3HD1  LEU  22          3HD1      LEU  22   0.629   6.389   5.510
  174   1HD2  LEU  22          1HD2      LEU  22  -0.884   7.414   8.027
  175   2HD2  LEU  22          2HD2      LEU  22  -0.585   8.420   6.610
  176   3HD2  LEU  22          3HD2      LEU  22  -2.243   8.195   7.210
  177    H    LEU  23           H        LEU  23  -3.562   6.341   2.219
  178    HA   LEU  23           HA       LEU  23  -3.460   8.837   0.823
  179   1HB   LEU  23          1HB       LEU  23  -4.426   6.074   0.016
  180   2HB   LEU  23          2HB       LEU  23  -4.406   7.434  -1.089
  181    HG   LEU  23           HG       LEU  23  -1.883   6.617   0.379
  182   1HD1  LEU  23          1HD1      LEU  23  -2.679   4.590  -0.716
  183   2HD1  LEU  23          2HD1      LEU  23  -2.898   5.470  -2.256
  184   3HD1  LEU  23          3HD1      LEU  23  -1.285   5.212  -1.570
  185   1HD2  LEU  23          1HD2      LEU  23  -0.765   7.641  -1.557
  186   2HD2  LEU  23          2HD2      LEU  23  -2.337   8.026  -2.284
  187   3HD2  LEU  23          3HD2      LEU  23  -1.836   8.801  -0.765
  188    H    GLN  24           H        GLN  24  -6.278   6.932   2.088
  189    HA   GLN  24           HA       GLN  24  -8.248   8.632   0.878
  190   1HB   GLN  24          1HB       GLN  24  -8.425   7.073   3.504
  191   2HB   GLN  24          2HB       GLN  24  -9.757   7.889   2.709
  192   1HG   GLN  24          1HG       GLN  24  -8.264   5.458   1.683
  193   2HG   GLN  24          2HG       GLN  24  -9.922   5.543   2.246
  194   1HE2  GLN  24          2HE2      GLN  24  -7.807   5.961  -0.434
  195   2HE2  GLN  24          1HE2      GLN  24  -8.953   6.660  -1.589
  196    H    ARG  25           H        ARG  25  -6.470   8.878   4.020
  197    HA   ARG  25           HA       ARG  25  -7.855  11.185   4.892
  198   1HB   ARG  25          1HB       ARG  25  -6.574   9.915   6.443
  199   2HB   ARG  25          2HB       ARG  25  -5.076  10.125   5.538
  200   1HG   ARG  25          1HG       ARG  25  -4.828  12.381   6.152
  201   2HG   ARG  25          2HG       ARG  25  -6.519  12.557   6.638
  202   1HD   ARG  25          1HD       ARG  25  -4.572  10.724   8.088
  203   2HD   ARG  25          2HD       ARG  25  -4.814  12.427   8.522
  204    HE   ARG  25           HE       ARG  25  -7.367  11.383   8.421
  205   1HH1  ARG  25          1HH2      ARG  25  -4.474  10.686  10.360
  206   2HH1  ARG  25          2HH2      ARG  25  -5.368  10.149  11.746
  207   1HH2  ARG  25          1HH1      ARG  25  -8.540  10.653  10.222
  208   2HH2  ARG  25          2HH1      ARG  25  -7.741  10.001  11.603
  209    H    TYR  26           H        TYR  26  -4.740  10.964   3.053
  210    HA   TYR  26           HA       TYR  26  -4.654  13.859   2.950
  211   1HB   TYR  26          1HB       TYR  26  -2.828  11.745   1.772
  212   2HB   TYR  26          2HB       TYR  26  -2.519  13.479   1.723
  213    HD1  TYR  26           HD1      TYR  26  -1.778  10.574   3.560
  214    HD2  TYR  26           HD2      TYR  26  -2.809  14.727   4.110
  215    HE1  TYR  26           HE1      TYR  26  -0.869  10.499   5.860
  216    HE2  TYR  26           HE2      TYR  26  -1.901  14.659   6.405
  217    HH   TYR  26           HH       TYR  26  -0.912  13.340   8.056
  218    H    HIS  27           H        HIS  27  -6.005  11.494   0.749
  219    HA   HIS  27           HA       HIS  27  -6.579  13.661  -1.183
  220   1HB   HIS  27          1HB       HIS  27  -4.413  12.372  -1.680
  221   2HB   HIS  27          2HB       HIS  27  -5.405  10.962  -1.978
  222    HD1  HIS  27           HD1      HIS  27  -7.425  13.552  -3.552
  223    HD2  HIS  27           HD2      HIS  27  -3.695  11.740  -4.285
  224    HE1  HIS  27           HE1      HIS  27  -6.936  13.877  -6.024
  225    HA   PRO  28           HA       PRO  28 -10.017  10.878   0.397
  226   1HB   PRO  28          1HB       PRO  28 -11.584  13.389  -0.198
  227   2HB   PRO  28          2HB       PRO  28 -11.765  12.245   1.168
  228   1HG   PRO  28          1HG       PRO  28 -10.465  14.598   1.515
  229   2HG   PRO  28          2HG       PRO  28  -9.804  13.094   2.234
  230   1HD   PRO  28          1HD       PRO  28  -8.947  14.506  -0.298
  231   2HD   PRO  28          2HD       PRO  28  -7.951  13.772   0.989
  232    H    GLU  29           H        GLU  29  -9.888  12.721  -2.631
  233    HA   GLU  29           HA       GLU  29 -12.167  11.212  -3.757
  234   1HB   GLU  29          1HB       GLU  29 -11.951  12.691  -5.672
  235   2HB   GLU  29          2HB       GLU  29 -12.160  13.582  -4.177
  236   1HG   GLU  29          1HG       GLU  29  -9.404  13.155  -5.403
  237   2HG   GLU  29          2HG       GLU  29 -10.471  14.445  -5.938
  238    H    LEU  30           H        LEU  30  -8.999  10.441  -3.273
  239    HA   LEU  30           HA       LEU  30  -8.437   9.230  -5.894
  240   1HB   LEU  30          1HB       LEU  30  -6.726  10.263  -4.306
  241   2HB   LEU  30          2HB       LEU  30  -7.035   8.915  -3.214
  242    HG   LEU  30           HG       LEU  30  -6.281   7.356  -5.071
  243   1HD1  LEU  30          1HD1      LEU  30  -4.915   8.396  -6.899
  244   2HD1  LEU  30          2HD1      LEU  30  -6.623   8.795  -7.027
  245   3HD1  LEU  30          3HD1      LEU  30  -5.479   9.996  -6.389
  246   1HD2  LEU  30          1HD2      LEU  30  -3.880   7.883  -4.650
  247   2HD2  LEU  30          2HD2      LEU  30  -4.326   9.505  -4.113
  248   3HD2  LEU  30          3HD2      LEU  30  -4.841   8.086  -3.190
  249    H    LYS  31           H        LYS  31  -8.952   7.055  -6.360
  250    HA   LYS  31           HA       LYS  31 -10.570   5.653  -4.279
  251   1HB   LYS  31          1HB       LYS  31 -11.609   5.837  -6.510
  252   2HB   LYS  31          2HB       LYS  31 -10.178   5.164  -7.265
  253   1HG   LYS  31          1HG       LYS  31 -11.912   3.477  -7.143
  254   2HG   LYS  31          2HG       LYS  31 -10.535   2.998  -6.165
  255   1HD   LYS  31          1HD       LYS  31 -12.612   2.429  -5.050
  256   2HD   LYS  31          2HD       LYS  31 -11.754   3.643  -4.100
  257   1HE   LYS  31          1HE       LYS  31 -13.229   5.419  -5.037
  258   2HE   LYS  31          2HE       LYS  31 -14.046   4.216  -6.040
  259   1HZ   LYS  31          1HZ       LYS  31 -14.064   4.250  -3.075
  260   2HZ   LYS  31          2HZ       LYS  31 -15.298   4.694  -4.040
  261   3HZ   LYS  31          3HZ       LYS  31 -14.820   3.139  -4.010
  262    H    VAL  32           H        VAL  32  -9.382   4.250  -3.033
  263    HA   VAL  32           HA       VAL  32  -7.120   2.825  -4.282
  264    HB   VAL  32           HB       VAL  32  -6.857   4.011  -1.501
  265   1HG1  VAL  32          1HG1      VAL  32  -5.428   2.060  -2.060
  266   2HG1  VAL  32          2HG1      VAL  32  -4.830   2.901  -3.499
  267   3HG1  VAL  32          3HG1      VAL  32  -4.458   3.521  -1.883
  268   1HG2  VAL  32          1HG2      VAL  32  -5.780   5.232  -4.076
  269   2HG2  VAL  32          2HG2      VAL  32  -6.948   5.975  -2.961
  270   3HG2  VAL  32          3HG2      VAL  32  -5.294   5.691  -2.437
  271    H    GLU  33           H        GLU  33  -7.084   0.699  -3.679
  272    HA   GLU  33           HA       GLU  33  -8.470  -0.098  -1.179
  273   1HB   GLU  33          1HB       GLU  33  -8.917  -1.439  -3.877
  274   2HB   GLU  33          2HB       GLU  33  -9.402  -2.102  -2.308
  275   1HG   GLU  33          1HG       GLU  33 -10.777  -0.033  -1.908
  276   2HG   GLU  33          2HG       GLU  33 -10.459   0.444  -3.583
  277    H    SER  34           H        SER  34  -7.855  -2.639  -0.940
  278    HA   SER  34           HA       SER  34  -4.878  -2.738  -1.210
  279   1HB   SER  34          1HB       SER  34  -6.715  -3.441   1.106
  280   2HB   SER  34          2HB       SER  34  -4.981  -3.748   1.081
  281    HG   SER  34           HG       SER  34  -6.415  -1.314   1.131
  282    H    ALA  35           H        ALA  35  -3.915  -4.839  -1.264
  283    HA   ALA  35           HA       ALA  35  -5.567  -7.248  -1.091
  284   1HB   ALA  35          1HB       ALA  35  -4.038  -6.589  -3.647
  285   2HB   ALA  35          2HB       ALA  35  -4.809  -8.145  -3.270
  286   3HB   ALA  35          3HB       ALA  35  -5.807  -6.706  -3.484
  287    H    GLY  36           H        GLY  36  -3.801  -9.205  -1.530
  288   1HA   GLY  36          1HA       GLY  36  -1.072  -8.266  -1.012
  289   2HA   GLY  36          2HA       GLY  36  -1.744  -9.367   0.182
  290    H    LEU  37           H        LEU  37   0.598  -9.702  -1.275
  291    HA   LEU  37           HA       LEU  37   0.411 -11.293  -3.642
  292   1HB   LEU  37          1HB       LEU  37   2.576 -11.179  -1.509
  293   2HB   LEU  37          2HB       LEU  37   2.755 -11.904  -3.100
  294    HG   LEU  37           HG       LEU  37   2.226  -8.947  -2.587
  295   1HD1  LEU  37          1HD1      LEU  37   4.555  -8.626  -3.235
  296   2HD1  LEU  37          2HD1      LEU  37   4.433  -9.631  -1.789
  297   3HD1  LEU  37          3HD1      LEU  37   4.792 -10.387  -3.358
  298   1HD2  LEU  37          1HD2      LEU  37   2.913 -10.432  -5.168
  299   2HD2  LEU  37          2HD2      LEU  37   1.397  -9.578  -4.804
  300   3HD2  LEU  37          3HD2      LEU  37   2.893  -8.665  -4.978
  301    H    GLY  38           H        GLY  38   0.422 -12.069  -0.207
  302   1HA   GLY  38          1HA       GLY  38  -0.443 -14.857  -0.754
  303   2HA   GLY  38          2HA       GLY  38   0.947 -14.567   0.331
  304    H    ALA  39           H        ALA  39  -2.369 -13.361  -0.347
  305    HA   ALA  39           HA       ALA  39  -2.509 -11.901   2.146
  306   1HB   ALA  39          1HB       ALA  39  -4.732 -12.630   0.218
  307   2HB   ALA  39          2HB       ALA  39  -4.742 -11.296   1.380
  308   3HB   ALA  39          3HB       ALA  39  -3.643 -11.233  -0.009
  309    H    LEU  40           H        LEU  40  -4.432 -12.124   3.563
  310    HA   LEU  40           HA       LEU  40  -5.118 -14.981   4.161
  311   1HB   LEU  40          1HB       LEU  40  -4.837 -12.566   5.992
  312   2HB   LEU  40          2HB       LEU  40  -5.375 -14.174   6.491
  313    HG   LEU  40           HG       LEU  40  -2.607 -13.498   5.398
  314   1HD1  LEU  40          1HD1      LEU  40  -3.039 -12.570   7.631
  315   2HD1  LEU  40          2HD1      LEU  40  -3.518 -14.175   8.226
  316   3HD1  LEU  40          3HD1      LEU  40  -1.846 -13.873   7.698
  317   1HD2  LEU  40          1HD2      LEU  40  -3.707 -16.117   6.521
  318   2HD2  LEU  40          2HD2      LEU  40  -3.162 -15.825   4.853
  319   3HD2  LEU  40          3HD2      LEU  40  -1.995 -15.787   6.173
  320    H    VAL  41           H        VAL  41  -6.765 -14.721   2.512
  321    HA   VAL  41           HA       VAL  41  -8.558 -12.737   2.200
  322    HB   VAL  41           HB       VAL  41  -9.317 -15.673   2.017
  323   1HG1  VAL  41          1HG1      VAL  41 -11.200 -14.115   1.639
  324   2HG1  VAL  41          2HG1      VAL  41 -10.241 -13.220   0.443
  325   3HG1  VAL  41          3HG1      VAL  41 -10.728 -14.900   0.132
  326   1HG2  VAL  41          1HG2      VAL  41  -7.199 -15.463   0.850
  327   2HG2  VAL  41          2HG2      VAL  41  -8.478 -15.505  -0.354
  328   3HG2  VAL  41          3HG2      VAL  41  -7.720 -13.956   0.070
  329    H    GLY  42           H        GLY  42 -10.061 -11.714   3.365
  330   1HA   GLY  42          1HA       GLY  42 -11.822 -11.346   4.758
  331   2HA   GLY  42          2HA       GLY  42 -11.986 -13.090   4.979
  332    H    LYS  43           H        LYS  43  -8.803 -12.265   5.940
  333    HA   LYS  43           HA       LYS  43  -9.522 -12.930   8.620
  334   1HB   LYS  43          1HB       LYS  43  -7.482 -13.592   7.329
  335   2HB   LYS  43          2HB       LYS  43  -6.813 -11.982   7.595
  336   1HG   LYS  43          1HG       LYS  43  -7.750 -13.447  10.043
  337   2HG   LYS  43          2HG       LYS  43  -6.440 -14.226   9.164
  338   1HD   LYS  43          1HD       LYS  43  -5.020 -12.270   9.349
  339   2HD   LYS  43          2HD       LYS  43  -6.319 -11.337  10.123
  340   1HE   LYS  43          1HE       LYS  43  -6.385 -12.992  11.985
  341   2HE   LYS  43          2HE       LYS  43  -5.089 -13.914  11.217
  342   1HZ   LYS  43          1HZ       LYS  43  -4.835 -11.140  12.230
  343   2HZ   LYS  43          2HZ       LYS  43  -4.254 -12.475  12.961
  344   3HZ   LYS  43          3HZ       LYS  43  -3.626 -12.007  11.533
  345    H    GLY  44           H        GLY  44  -9.472  -9.783   7.182
  346   1HA   GLY  44          1HA       GLY  44 -10.045  -7.797   8.220
  347   2HA   GLY  44          2HA       GLY  44  -9.781  -8.519   9.805
  348    H    ALA  45           H        ALA  45  -8.830  -5.982   9.337
  349    HA   ALA  45           HA       ALA  45  -6.073  -5.945   8.444
  350   1HB   ALA  45          1HB       ALA  45  -7.691  -3.960  10.104
  351   2HB   ALA  45          2HB       ALA  45  -6.065  -3.671   9.452
  352   3HB   ALA  45          3HB       ALA  45  -7.433  -3.916   8.349
  353    H    ASP  46           H        ASP  46  -4.201  -5.682   9.770
  354    HA   ASP  46           HA       ASP  46  -4.061  -7.594  11.842
  355   1HB   ASP  46          1HB       ASP  46  -2.219  -7.106  10.349
  356   2HB   ASP  46          2HB       ASP  46  -2.115  -5.451  10.935
  357    HA   PRO  47           HA       PRO  47  -5.398  -5.170  15.363
  358   1HB   PRO  47          1HB       PRO  47  -3.432  -6.900  16.873
  359   2HB   PRO  47          2HB       PRO  47  -5.113  -6.461  17.308
  360   1HG   PRO  47          1HG       PRO  47  -4.574  -8.883  16.222
  361   2HG   PRO  47          2HG       PRO  47  -6.004  -7.951  15.669
  362   1HD   PRO  47          1HD       PRO  47  -3.309  -8.232  14.328
  363   2HD   PRO  47          2HD       PRO  47  -4.953  -8.253  13.616
  364    H    THR  48           H        THR  48  -1.839  -5.589  14.870
  365    HA   THR  48           HA       THR  48  -1.291  -3.422  16.789
  366    HB   THR  48           HB       THR  48   0.660  -4.892  15.003
  367    HG1  THR  48           1HG      THR  48  -0.325  -5.581  17.585
  368   1HG2  THR  48          1HG2      THR  48   2.267  -4.357  16.807
  369   2HG2  THR  48          2HG2      THR  48   1.556  -2.879  16.131
  370   3HG2  THR  48          3HG2      THR  48   0.992  -3.498  17.699
  371    H    ALA  49           H        ALA  49  -1.434  -4.003  13.236
  372    HA   ALA  49           HA       ALA  49  -0.522  -1.418  12.439
  373   1HB   ALA  49          1HB       ALA  49  -2.649  -3.151  11.113
  374   2HB   ALA  49          2HB       ALA  49  -1.714  -1.842  10.363
  375   3HB   ALA  49          3HB       ALA  49  -0.898  -3.327  10.877
  376    H    ILE  50           H        ILE  50  -3.815  -2.648  13.272
  377    HA   ILE  50           HA       ILE  50  -5.185  -0.169  13.044
  378    HB   ILE  50           HB       ILE  50  -5.655  -2.560  14.847
  379   1HG1  ILE  50          1HG1      ILE  50  -7.280  -1.770  12.394
  380   2HG1  ILE  50          2HG1      ILE  50  -5.854  -2.786  12.245
  381   1HG2  ILE  50          1HG2      ILE  50  -6.800  -0.638  15.865
  382   2HG2  ILE  50          2HG2      ILE  50  -7.535  -0.215  14.305
  383   3HG2  ILE  50          3HG2      ILE  50  -7.994  -1.703  15.157
  384   1HD1  ILE  50          1HD1      ILE  50  -7.849  -4.176  12.348
  385   2HD1  ILE  50          2HD1      ILE  50  -6.857  -4.455  13.784
  386   3HD1  ILE  50          3HD1      ILE  50  -8.331  -3.467  13.889
  387    H    SER  51           H        SER  51  -3.406  -1.615  15.862
  388    HA   SER  51           HA       SER  51  -4.109   0.404  17.684
  389   1HB   SER  51          1HB       SER  51  -1.572  -1.281  17.617
  390   2HB   SER  51          2HB       SER  51  -2.177  -0.366  19.005
  391    HG   SER  51           HG       SER  51  -3.491  -2.535  17.683
  392    H    VAL  52           H        VAL  52  -1.117   0.294  15.571
  393    HA   VAL  52           HA       VAL  52  -0.268   2.862  16.547
  394    HB   VAL  52           HB       VAL  52   1.304   2.928  14.708
  395   1HG1  VAL  52          1HG1      VAL  52   1.177   0.178  16.023
  396   2HG1  VAL  52          2HG1      VAL  52   2.615   0.982  15.376
  397   3HG1  VAL  52          3HG1      VAL  52   1.797   1.670  16.774
  398   1HG2  VAL  52          1HG2      VAL  52   0.151   0.302  13.709
  399   2HG2  VAL  52          2HG2      VAL  52  -0.045   1.866  12.895
  400   3HG2  VAL  52          3HG2      VAL  52   1.562   1.167  13.076
  401    H    ALA  53           H        ALA  53  -2.497   1.948  13.887
  402    HA   ALA  53           HA       ALA  53  -2.582   4.641  12.837
  403   1HB   ALA  53          1HB       ALA  53  -3.205   2.572  11.567
  404   2HB   ALA  53          2HB       ALA  53  -4.645   2.424  12.606
  405   3HB   ALA  53          3HB       ALA  53  -4.447   3.832  11.537
  406    H    ALA  54           H        ALA  54  -4.369   2.915  15.414
  407    HA   ALA  54           HA       ALA  54  -6.359   4.924  15.809
  408   1HB   ALA  54          1HB       ALA  54  -6.564   2.617  16.685
  409   2HB   ALA  54          2HB       ALA  54  -5.197   2.909  17.787
  410   3HB   ALA  54          3HB       ALA  54  -6.706   3.821  17.981
  411    H    GLU  55           H        GLU  55  -2.985   4.550  17.061
  412    HA   GLU  55           HA       GLU  55  -3.038   6.723  18.828
  413   1HB   GLU  55          1HB       GLU  55  -1.196   4.974  18.328
  414   2HB   GLU  55          2HB       GLU  55  -0.647   6.092  17.070
  415   1HG   GLU  55          1HG       GLU  55  -0.353   7.865  18.778
  416   2HG   GLU  55          2HG       GLU  55  -0.966   6.775  20.025
  417    H    HIS  56           H        HIS  56  -3.406   6.795  15.398
  418    HA   HIS  56           HA       HIS  56  -3.149   9.764  15.314
  419   1HB   HIS  56          1HB       HIS  56  -2.767   7.672  13.154
  420   2HB   HIS  56          2HB       HIS  56  -2.718   9.417  12.886
  421    HD1  HIS  56           HD1      HIS  56  -0.625  10.723  14.339
  422    HD2  HIS  56           HD2      HIS  56  -0.478   6.558  13.776
  423    HE1  HIS  56           HE1      HIS  56   1.773  10.022  14.823
  424    H    GLN  57           H        GLN  57  -5.438   7.680  15.938
  425    HA   GLN  57           HA       GLN  57  -7.636   7.340  15.436
  426   1HB   GLN  57          1HB       GLN  57  -7.466  10.357  15.003
  427   2HB   GLN  57          2HB       GLN  57  -8.951   9.461  15.308
  428   1HG   GLN  57          1HG       GLN  57  -6.625   9.616  17.279
  429   2HG   GLN  57          2HG       GLN  57  -8.029  10.672  17.293
  430   1HE2  GLN  57          2HE2      GLN  57  -6.915   7.341  17.883
  431   2HE2  GLN  57          1HE2      GLN  57  -8.372   6.818  18.701
  432    H    LEU  58           H        LEU  58  -6.379   6.327  13.367
  433    HA   LEU  58           HA       LEU  58  -8.235   7.088  11.159
  434   1HB   LEU  58          1HB       LEU  58  -5.607   7.598  10.906
  435   2HB   LEU  58          2HB       LEU  58  -5.559   5.889  10.494
  436    HG   LEU  58           HG       LEU  58  -7.095   8.130   9.127
  437   1HD1  LEU  58          1HD1      LEU  58  -5.741   7.550   7.193
  438   2HD1  LEU  58          2HD1      LEU  58  -4.693   7.864   8.580
  439   3HD1  LEU  58          3HD1      LEU  58  -5.002   6.189   8.068
  440   1HD2  LEU  58          1HD2      LEU  58  -8.675   6.333   9.034
  441   2HD2  LEU  58          2HD2      LEU  58  -7.894   6.435   7.473
  442   3HD2  LEU  58          3HD2      LEU  58  -7.409   5.152   8.623
  443    H    SER  59           H        SER  59  -9.686   5.454  11.028
  444    HA   SER  59           HA       SER  59  -9.180   2.952  12.312
  445   1HB   SER  59          1HB       SER  59 -11.521   3.793  10.550
  446   2HB   SER  59          2HB       SER  59 -11.492   2.458  11.718
  447    HG   SER  59           HG       SER  59 -12.453   4.363  12.575
  448    H    LEU  60           H        LEU  60  -7.619   1.644  11.235
  449    HA   LEU  60           HA       LEU  60  -7.776   1.104   8.383
  450   1HB   LEU  60          1HB       LEU  60  -6.537  -0.675  10.505
  451   2HB   LEU  60          2HB       LEU  60  -6.289  -0.748   8.768
  452    HG   LEU  60           HG       LEU  60  -5.309   1.347  10.704
  453   1HD1  LEU  60          1HD1      LEU  60  -4.061  -0.793  10.493
  454   2HD1  LEU  60          2HD1      LEU  60  -3.838  -0.483   8.761
  455   3HD1  LEU  60          3HD1      LEU  60  -3.102   0.598   9.962
  456   1HD2  LEU  60          1HD2      LEU  60  -4.205   2.478   8.772
  457   2HD2  LEU  60          2HD2      LEU  60  -5.159   1.458   7.667
  458   3HD2  LEU  60          3HD2      LEU  60  -5.959   2.627   8.746
  459    H    GLU  61           H        GLU  61  -9.343  -0.197  11.263
  460    HA   GLU  61           HA       GLU  61 -10.326  -2.593  10.181
  461   1HB   GLU  61          1HB       GLU  61 -10.580  -1.132  12.587
  462   2HB   GLU  61          2HB       GLU  61 -12.230  -1.248  11.992
  463   1HG   GLU  61          1HG       GLU  61 -10.322  -3.609  12.330
  464   2HG   GLU  61          2HG       GLU  61 -11.483  -3.090  13.544
  465    H    GLY  62           H        GLY  62 -12.526  -3.097   9.470
  466   1HA   GLY  62          1HA       GLY  62 -14.378  -2.705   8.097
  467   2HA   GLY  62          2HA       GLY  62 -13.953  -0.988   7.956
  468    H    HIS  63           H        HIS  63 -11.984  -3.959   7.421
  469    HA   HIS  63           HA       HIS  63 -11.926  -3.537   4.526
  470   1HB   HIS  63          1HB       HIS  63  -9.934  -2.293   5.224
  471   2HB   HIS  63          2HB       HIS  63  -9.435  -3.609   6.290
  472    HD1  HIS  63           HD1      HIS  63 -10.189  -3.420   2.438
  473    HD2  HIS  63           HD2      HIS  63  -7.535  -5.042   5.279
  474    HE1  HIS  63           HE1      HIS  63  -8.581  -4.914   1.155
  475    H    CYS  64           H        CYS  64 -11.416  -5.517   3.451
  476    HA   CYS  64           HA       CYS  64 -11.286  -7.963   5.155
  477   1HB   CYS  64          1HB       CYS  64 -12.972  -7.562   2.640
  478   2HB   CYS  64          2HB       CYS  64 -12.722  -9.097   3.482
  479    HG   CYS  64           HG       CYS  64 -15.127  -8.185   3.992
  480    H    ALA  65           H        ALA  65  -9.303  -8.751   4.763
  481    HA   ALA  65           HA       ALA  65  -7.663  -7.992   2.580
  482   1HB   ALA  65          1HB       ALA  65  -7.543 -10.216   4.656
  483   2HB   ALA  65          2HB       ALA  65  -6.276  -9.997   3.444
  484   3HB   ALA  65          3HB       ALA  65  -6.618  -8.704   4.615
  485    H    ARG  66           H        ARG  66  -6.797  -9.373   0.858
  486    HA   ARG  66           HA       ARG  66  -8.400 -11.646  -0.056
  487   1HB   ARG  66          1HB       ARG  66  -9.239 -10.504  -2.097
  488   2HB   ARG  66          2HB       ARG  66  -9.955  -9.877  -0.613
  489   1HG   ARG  66          1HG       ARG  66  -8.328  -7.951  -0.687
  490   2HG   ARG  66          2HG       ARG  66  -7.739  -8.559  -2.244
  491   1HD   ARG  66          1HD       ARG  66  -9.986  -8.268  -3.216
  492   2HD   ARG  66          2HD       ARG  66 -10.599  -7.690  -1.643
  493    HE   ARG  66           HE       ARG  66  -8.415  -6.114  -2.075
  494   1HH1  ARG  66          1HH2      ARG  66 -11.426  -6.549  -3.938
  495   2HH1  ARG  66          2HH2      ARG  66 -11.185  -5.090  -4.842
  496   1HH2  ARG  66          1HH1      ARG  66  -8.118  -4.308  -3.248
  497   2HH2  ARG  66          2HH1      ARG  66  -9.274  -3.802  -4.470
  498    H    GLN  67           H        GLN  67  -7.418 -12.735  -1.741
  499    HA   GLN  67           HA       GLN  67  -4.547 -12.344  -1.986
  500   1HB   GLN  67          1HB       GLN  67  -5.597 -14.543  -1.681
  501   2HB   GLN  67          2HB       GLN  67  -6.586 -14.318  -3.121
  502   1HG   GLN  67          1HG       GLN  67  -4.693 -15.875  -3.433
  503   2HG   GLN  67          2HG       GLN  67  -4.702 -14.534  -4.567
  504   1HE2  GLN  67          2HE2      GLN  67  -2.576 -14.014  -5.000
  505   2HE2  GLN  67          1HE2      GLN  67  -1.295 -13.940  -3.779
  506    H    ILE  68           H        ILE  68  -3.448 -11.341  -3.542
  507    HA   ILE  68           HA       ILE  68  -4.761  -9.899  -5.612
  508    HB   ILE  68           HB       ILE  68  -2.500  -9.368  -4.670
  509   1HG1  ILE  68          1HG1      ILE  68  -1.364  -8.753  -6.787
  510   2HG1  ILE  68          2HG1      ILE  68  -2.525  -9.712  -7.700
  511   1HG2  ILE  68          1HG2      ILE  68  -0.509 -10.534  -5.522
  512   2HG2  ILE  68          2HG2      ILE  68  -1.539 -11.634  -4.589
  513   3HG2  ILE  68          3HG2      ILE  68  -1.523 -11.717  -6.347
  514   1HD1  ILE  68          1HD1      ILE  68  -3.233  -7.359  -5.900
  515   2HD1  ILE  68          2HD1      ILE  68  -3.021  -7.257  -7.658
  516   3HD1  ILE  68          3HD1      ILE  68  -4.350  -8.216  -6.989
  517    H    SER  69           H        SER  69  -5.071 -10.395  -7.764
  518    HA   SER  69           HA       SER  69  -4.225 -12.914  -8.950
  519   1HB   SER  69          1HB       SER  69  -7.100 -12.370  -8.086
  520   2HB   SER  69          2HB       SER  69  -6.737 -13.446  -9.462
  521    HG   SER  69           HG       SER  69  -5.340 -13.766  -7.056
  522    H    ARG  70           H        ARG  70  -4.847 -12.847 -11.350
  523    HA   ARG  70           HA       ARG  70  -4.073 -10.331 -12.326
  524   1HB   ARG  70          1HB       ARG  70  -3.819 -12.593 -13.484
  525   2HB   ARG  70          2HB       ARG  70  -5.514 -12.474 -13.941
  526   1HG   ARG  70          1HG       ARG  70  -4.296 -11.748 -15.837
  527   2HG   ARG  70          2HG       ARG  70  -4.938 -10.276 -15.127
  528   1HD   ARG  70          1HD       ARG  70  -2.702  -9.791 -15.765
  529   2HD   ARG  70          2HD       ARG  70  -2.681  -9.924 -14.014
  530    HE   ARG  70           HE       ARG  70  -1.437 -11.893 -14.140
  531   1HH1  ARG  70          1HH2      ARG  70  -2.280 -10.859 -17.488
  532   2HH1  ARG  70          2HH2      ARG  70  -1.306 -12.092 -18.199
  533   1HH2  ARG  70          1HH1      ARG  70  -0.017 -13.308 -15.122
  534   2HH2  ARG  70          2HH1      ARG  70  -0.007 -13.533 -16.843
  535    H    ARG  71           H        ARG  71  -7.395 -11.642 -11.973
  536    HA   ARG  71           HA       ARG  71  -8.756  -9.602 -13.367
  537   1HB   ARG  71          1HB       ARG  71  -9.766 -11.705 -12.483
  538   2HB   ARG  71          2HB       ARG  71  -9.644 -11.069 -10.837
  539   1HG   ARG  71          1HG       ARG  71 -11.151  -9.186 -11.452
  540   2HG   ARG  71          2HG       ARG  71 -11.266  -9.806 -13.104
  541   1HD   ARG  71          1HD       ARG  71 -12.132 -11.303 -10.591
  542   2HD   ARG  71          2HD       ARG  71 -13.218 -10.382 -11.645
  543    HE   ARG  71           HE       ARG  71 -11.950 -12.151 -13.351
  544   1HH1  ARG  71          1HH2      ARG  71 -14.005 -12.466 -10.474
  545   2HH1  ARG  71          2HH2      ARG  71 -14.660 -13.994 -10.930
  546   1HH2  ARG  71          1HH1      ARG  71 -12.812 -14.196 -13.958
  547   2HH2  ARG  71          2HH1      ARG  71 -13.966 -14.993 -12.961
  548    H    LEU  72           H        LEU  72  -7.594  -9.631  -9.942
  549    HA   LEU  72           HA       LEU  72  -8.632  -6.981  -9.395
  550   1HB   LEU  72          1HB       LEU  72  -6.524  -8.704  -8.047
  551   2HB   LEU  72          2HB       LEU  72  -6.837  -7.054  -7.524
  552    HG   LEU  72           HG       LEU  72  -9.008  -9.168  -7.664
  553   1HD1  LEU  72          1HD1      LEU  72  -8.733  -9.383  -5.212
  554   2HD1  LEU  72          2HD1      LEU  72  -7.263  -9.855  -6.068
  555   3HD1  LEU  72          3HD1      LEU  72  -7.345  -8.271  -5.262
  556   1HD2  LEU  72          1HD2      LEU  72 -10.236  -7.680  -6.146
  557   2HD2  LEU  72          2HD2      LEU  72  -8.909  -6.502  -6.199
  558   3HD2  LEU  72          3HD2      LEU  72  -9.877  -6.847  -7.653
  559    H    CYS  73           H        CYS  73  -5.450  -8.235 -10.552
  560    HA   CYS  73           HA       CYS  73  -4.139  -5.742 -10.525
  561   1HB   CYS  73          1HB       CYS  73  -3.787  -7.953 -12.606
  562   2HB   CYS  73          2HB       CYS  73  -2.636  -6.667 -12.233
  563    HG   CYS  73           HG       CYS  73  -3.771  -9.024 -10.168
  564    H    ARG  74           H        ARG  74  -6.424  -7.059 -12.969
  565    HA   ARG  74           HA       ARG  74  -6.082  -4.791 -14.772
  566   1HB   ARG  74          1HB       ARG  74  -8.152  -7.024 -14.554
  567   2HB   ARG  74          2HB       ARG  74  -8.156  -5.810 -15.838
  568   1HG   ARG  74          1HG       ARG  74  -6.008  -6.536 -16.669
  569   2HG   ARG  74          2HG       ARG  74  -5.773  -7.640 -15.305
  570   1HD   ARG  74          1HD       ARG  74  -7.727  -8.964 -16.006
  571   2HD   ARG  74          2HD       ARG  74  -7.981  -7.877 -17.391
  572    HE   ARG  74           HE       ARG  74  -5.421  -8.585 -17.795
  573   1HH1  ARG  74          1HH2      ARG  74  -8.349 -10.559 -17.334
  574   2HH1  ARG  74          2HH2      ARG  74  -7.689 -11.952 -18.105
  575   1HH2  ARG  74          1HH1      ARG  74  -4.506 -10.415 -18.636
  576   2HH2  ARG  74          2HH1      ARG  74  -5.446 -11.855 -18.957
  577    H    ASN  75           H        ASN  75  -8.080  -5.408 -11.927
  578    HA   ASN  75           HA       ASN  75 -10.217  -3.663 -12.630
  579   1HB   ASN  75          1HB       ASN  75 -10.342  -5.571 -10.998
  580   2HB   ASN  75          2HB       ASN  75  -9.393  -4.607  -9.863
  581   1HD2  ASN  75          2HD2      ASN  75 -10.768  -3.709  -8.293
  582   2HD2  ASN  75          1HD2      ASN  75 -12.379  -3.135  -8.618
  583    H    TYR  76           H        TYR  76  -7.047  -2.900 -11.570
  584    HA   TYR  76           HA       TYR  76  -7.868  -0.101 -10.969
  585   1HB   TYR  76          1HB       TYR  76  -5.636  -1.580  -9.545
  586   2HB   TYR  76          2HB       TYR  76  -6.214   0.048  -9.220
  587    HD1  TYR  76           HD1      TYR  76  -6.902  -3.548  -8.838
  588    HD2  TYR  76           HD2      TYR  76  -8.248   0.405  -7.847
  589    HE1  TYR  76           HE1      TYR  76  -8.554  -4.527  -7.314
  590    HE2  TYR  76           HE2      TYR  76  -9.942  -0.546  -6.318
  591    HH   TYR  76           HH       TYR  76 -10.938  -2.496  -5.510
  592    H    ASP  77           H        ASP  77  -5.950   1.418 -11.371
  593    HA   ASP  77           HA       ASP  77  -4.488   0.387 -13.764
  594   1HB   ASP  77          1HB       ASP  77  -6.528   1.853 -14.157
  595   2HB   ASP  77          2HB       ASP  77  -5.571   3.186 -13.507
  596    H    LEU  78           H        LEU  78  -3.775   1.200 -10.725
  597    HA   LEU  78           HA       LEU  78  -1.025   1.682 -11.503
  598   1HB   LEU  78          1HB       LEU  78  -2.131   4.000 -11.181
  599   2HB   LEU  78          2HB       LEU  78  -2.362   3.541  -9.497
  600    HG   LEU  78           HG       LEU  78   0.080   3.346  -9.209
  601   1HD1  LEU  78          1HD1      LEU  78   0.162   4.164 -12.143
  602   2HD1  LEU  78          2HD1      LEU  78   1.546   4.363 -11.060
  603   3HD1  LEU  78          3HD1      LEU  78   0.914   2.751 -11.380
  604   1HD2  LEU  78          1HD2      LEU  78   0.575   5.776  -9.346
  605   2HD2  LEU  78          2HD2      LEU  78  -0.881   6.008 -10.322
  606   3HD2  LEU  78          3HD2      LEU  78  -1.008   5.430  -8.659
  607    H    ILE  79           H        ILE  79   0.262   0.506 -10.004
  608    HA   ILE  79           HA       ILE  79  -1.255  -0.750  -7.755
  609    HB   ILE  79           HB       ILE  79   0.740  -2.154  -9.548
  610   1HG1  ILE  79          1HG1      ILE  79  -1.172  -1.626 -10.987
  611   2HG1  ILE  79          2HG1      ILE  79  -0.981  -3.338 -10.695
  612   1HG2  ILE  79          1HG2      ILE  79  -0.291  -4.196  -8.526
  613   2HG2  ILE  79          2HG2      ILE  79   0.534  -3.156  -7.354
  614   3HG2  ILE  79          3HG2      ILE  79  -1.235  -3.146  -7.451
  615   1HD1  ILE  79          1HD1      ILE  79  -3.353  -2.642 -10.690
  616   2HD1  ILE  79          2HD1      ILE  79  -2.879  -3.361  -9.148
  617   3HD1  ILE  79          3HD1      ILE  79  -3.052  -1.596  -9.298
  618    H    LEU  80           H        LEU  80  -0.243  -0.484  -5.856
  619    HA   LEU  80           HA       LEU  80   2.609   0.394  -5.881
  620   1HB   LEU  80          1HB       LEU  80   0.209   1.173  -4.224
  621   2HB   LEU  80          2HB       LEU  80   1.790   1.209  -3.475
  622    HG   LEU  80           HG       LEU  80   1.184   3.395  -4.261
  623   1HD1  LEU  80          1HD1      LEU  80   3.426   2.366  -6.040
  624   2HD1  LEU  80          2HD1      LEU  80   3.233   3.990  -5.357
  625   3HD1  LEU  80          3HD1      LEU  80   3.593   2.610  -4.299
  626   1HD2  LEU  80          1HD2      LEU  80   0.897   4.023  -6.557
  627   2HD2  LEU  80          2HD2      LEU  80   1.240   2.376  -7.124
  628   3HD2  LEU  80          3HD2      LEU  80  -0.237   2.712  -6.199
  629    H    THR  81           H        THR  81   4.007  -0.352  -4.375
  630    HA   THR  81           HA       THR  81   3.258  -2.651  -2.661
  631    HB   THR  81           HB       THR  81   5.247  -3.853  -3.516
  632    HG1  THR  81           1HG      THR  81   5.294  -1.771  -5.443
  633   1HG2  THR  81          1HG2      THR  81   3.333  -3.288  -5.805
  634   2HG2  THR  81          2HG2      THR  81   4.405  -4.691  -5.620
  635   3HG2  THR  81          3HG2      THR  81   3.057  -4.452  -4.488
  636    H    MET  82           H        MET  82   5.635  -3.128  -1.393
  637    HA   MET  82           HA       MET  82   6.611  -0.416  -0.593
  638   1HB   MET  82          1HB       MET  82   5.878  -2.878   1.030
  639   2HB   MET  82          2HB       MET  82   6.860  -1.572   1.663
  640   1HG   MET  82          1HG       MET  82   4.806  -0.878   2.367
  641   2HG   MET  82          2HG       MET  82   4.926  -0.001   0.851
  642   1HE   MET  82          1HE       MET  82   1.125  -0.714   1.223
  643   2HE   MET  82          2HE       MET  82   2.384  -0.034   2.260
  644   3HE   MET  82          3HE       MET  82   2.283   0.466   0.559
  645    H    GLU  83           H        GLU  83   7.660  -3.462  -1.863
  646    HA   GLU  83           HA       GLU  83  10.468  -2.748  -1.268
  647   1HB   GLU  83          1HB       GLU  83   9.081  -5.359  -0.536
  648   2HB   GLU  83          2HB       GLU  83  10.830  -5.230  -0.734
  649   1HG   GLU  83          1HG       GLU  83  10.987  -3.603   1.086
  650   2HG   GLU  83          2HG       GLU  83   9.222  -3.605   1.271
  651    H    LYS  84           H        LYS  84  12.018  -3.819  -2.625
  652    HA   LYS  84           HA       LYS  84  11.137  -3.973  -5.350
  653   1HB   LYS  84          1HB       LYS  84  13.715  -4.900  -4.011
  654   2HB   LYS  84          2HB       LYS  84  13.461  -4.832  -5.761
  655   1HG   LYS  84          1HG       LYS  84  13.077  -2.406  -5.661
  656   2HG   LYS  84          2HG       LYS  84  13.258  -2.419  -3.898
  657   1HD   LYS  84          1HD       LYS  84  15.579  -3.276  -4.146
  658   2HD   LYS  84          2HD       LYS  84  15.437  -3.168  -5.904
  659   1HE   LYS  84          1HE       LYS  84  15.111  -0.821  -3.970
  660   2HE   LYS  84          2HE       LYS  84  16.622  -1.231  -4.781
  661   1HZ   LYS  84          1HZ       LYS  84  15.564  -0.808  -6.898
  662   2HZ   LYS  84          2HZ       LYS  84  14.132  -0.456  -6.180
  663   3HZ   LYS  84          3HZ       LYS  84  15.430   0.508  -5.934
  664    H    ARG  85           H        ARG  85  11.721  -6.562  -2.898
  665    HA   ARG  85           HA       ARG  85  11.281  -8.745  -4.656
  666   1HB   ARG  85          1HB       ARG  85  10.566 -10.006  -2.644
  667   2HB   ARG  85          2HB       ARG  85  12.128  -9.215  -2.477
  668   1HG   ARG  85          1HG       ARG  85  11.243  -7.532  -1.009
  669   2HG   ARG  85          2HG       ARG  85   9.572  -8.010  -1.336
  670   1HD   ARG  85          1HD       ARG  85   9.972 -10.197  -0.265
  671   2HD   ARG  85          2HD       ARG  85  11.645  -9.722   0.087
  672    HE   ARG  85           HE       ARG  85  10.585  -7.746   1.343
  673   1HH1  ARG  85          1HH2      ARG  85   9.299 -11.070   1.436
  674   2HH1  ARG  85          2HH2      ARG  85   8.440 -10.814   2.911
  675   1HH2  ARG  85          1HH1      ARG  85   9.297  -7.365   3.110
  676   2HH2  ARG  85          2HH1      ARG  85   8.476  -8.658   3.950
  677    H    HIS  86           H        HIS  86   8.881  -6.515  -3.182
  678    HA   HIS  86           HA       HIS  86   6.659  -8.269  -3.893
  679   1HB   HIS  86          1HB       HIS  86   6.785  -5.331  -3.091
  680   2HB   HIS  86          2HB       HIS  86   5.298  -6.182  -3.484
  681    HD1  HIS  86           HD1      HIS  86   7.445  -8.422  -1.399
  682    HD2  HIS  86           HD2      HIS  86   4.610  -5.353  -0.944
  683    HE1  HIS  86           HE1      HIS  86   6.625  -8.556   0.997
  684    H    ILE  87           H        ILE  87   8.270  -5.367  -5.345
  685    HA   ILE  87           HA       ILE  87   6.559  -5.126  -7.579
  686    HB   ILE  87           HB       ILE  87   9.567  -4.636  -7.421
  687   1HG1  ILE  87          1HG1      ILE  87   7.241  -2.682  -7.156
  688   2HG1  ILE  87          2HG1      ILE  87   8.206  -3.294  -5.812
  689   1HG2  ILE  87          1HG2      ILE  87   9.313  -3.237  -9.429
  690   2HG2  ILE  87          2HG2      ILE  87   8.801  -4.867  -9.785
  691   3HG2  ILE  87          3HG2      ILE  87   7.579  -3.613  -9.503
  692   1HD1  ILE  87          1HD1      ILE  87  10.250  -2.271  -6.850
  693   2HD1  ILE  87          2HD1      ILE  87   9.185  -1.494  -8.053
  694   3HD1  ILE  87          3HD1      ILE  87   8.998  -1.127  -6.343
  695    H    GLU  88           H        GLU  88   9.539  -7.124  -7.121
  696    HA   GLU  88           HA       GLU  88   9.550  -8.228  -9.701
  697   1HB   GLU  88          1HB       GLU  88  11.425  -8.289  -8.096
  698   2HB   GLU  88          2HB       GLU  88  10.549  -9.450  -7.089
  699   1HG   GLU  88          1HG       GLU  88  10.583 -11.103  -8.915
  700   2HG   GLU  88          2HG       GLU  88  11.333  -9.927  -9.998
  701    H    ARG  89           H        ARG  89   8.012  -9.565  -6.685
  702    HA   ARG  89           HA       ARG  89   7.077 -11.909  -8.023
  703   1HB   ARG  89          1HB       ARG  89   6.163 -10.555  -5.459
  704   2HB   ARG  89          2HB       ARG  89   5.531 -12.104  -6.026
  705   1HG   ARG  89          1HG       ARG  89   8.445 -11.531  -5.372
  706   2HG   ARG  89          2HG       ARG  89   7.297 -12.420  -4.358
  707   1HD   ARG  89          1HD       ARG  89   7.071 -14.057  -6.323
  708   2HD   ARG  89          2HD       ARG  89   8.453 -13.203  -7.056
  709    HE   ARG  89           HE       ARG  89   9.103 -13.966  -4.394
  710   1HH1  ARG  89          1HH2      ARG  89   8.657 -15.398  -7.647
  711   2HH1  ARG  89          2HH2      ARG  89   9.698 -16.741  -7.317
  712   1HH2  ARG  89          1HH1      ARG  89  10.491 -15.755  -4.003
  713   2HH2  ARG  89          2HH1      ARG  89  10.763 -16.941  -5.221
  714    H    LEU  90           H        LEU  90   5.507  -8.707  -7.524
  715    HA   LEU  90           HA       LEU  90   2.980  -9.642  -8.521
  716   1HB   LEU  90          1HB       LEU  90   3.739  -7.444  -7.179
  717   2HB   LEU  90          2HB       LEU  90   3.703  -6.755  -8.799
  718    HG   LEU  90           HG       LEU  90   1.421  -8.251  -7.416
  719   1HD1  LEU  90          1HD1      LEU  90   1.871  -5.274  -7.851
  720   2HD1  LEU  90          2HD1      LEU  90   0.414  -6.021  -7.155
  721   3HD1  LEU  90          3HD1      LEU  90   1.958  -6.141  -6.303
  722   1HD2  LEU  90          1HD2      LEU  90   1.088  -8.435  -9.810
  723   2HD2  LEU  90          2HD2      LEU  90  -0.027  -7.228  -9.188
  724   3HD2  LEU  90          3HD2      LEU  90   1.438  -6.708 -10.048
  725    H    CYS  91           H        CYS  91   5.820  -8.026 -10.064
  726    HA   CYS  91           HA       CYS  91   4.650  -7.850 -12.679
  727   1HB   CYS  91          1HB       CYS  91   7.572  -8.030 -11.820
  728   2HB   CYS  91          2HB       CYS  91   6.997  -7.632 -13.451
  729    HG   CYS  91           HG       CYS  91   6.537  -6.080 -10.585
  730    H    GLU  92           H        GLU  92   6.406 -10.479 -10.956
  731    HA   GLU  92           HA       GLU  92   6.785 -12.174 -13.186
  732   1HB   GLU  92          1HB       GLU  92   8.012 -12.419 -11.121
  733   2HB   GLU  92          2HB       GLU  92   6.534 -12.723 -10.207
  734   1HG   GLU  92          1HG       GLU  92   6.210 -14.860 -11.346
  735   2HG   GLU  92          2HG       GLU  92   7.599 -14.534 -12.394
  736    H    MET  93           H        MET  93   4.026 -11.965 -10.825
  737    HA   MET  93           HA       MET  93   2.593 -14.093 -12.208
  738   1HB   MET  93          1HB       MET  93   0.765 -13.624 -10.711
  739   2HB   MET  93          2HB       MET  93   2.273 -13.750  -9.808
  740   1HG   MET  93          1HG       MET  93   2.414 -11.371  -9.553
  741   2HG   MET  93          2HG       MET  93   1.060 -11.077 -10.639
  742   1HE   MET  93          1HE       MET  93  -1.270 -12.874  -9.910
  743   2HE   MET  93          2HE       MET  93  -2.067 -11.935  -8.636
  744   3HE   MET  93          3HE       MET  93  -1.386 -11.104 -10.051
  745    H    ALA  94           H        ALA  94   2.801 -10.605 -12.611
  746    HA   ALA  94           HA       ALA  94   0.752 -10.753 -14.754
  747   1HB   ALA  94          1HB       ALA  94   0.761  -8.699 -12.507
  748   2HB   ALA  94          2HB       ALA  94  -0.322  -8.715 -13.918
  749   3HB   ALA  94          3HB       ALA  94  -0.421 -10.010 -12.716
  750    HA   PRO  95           HA       PRO  95   4.598  -8.503 -16.070
  751   1HB   PRO  95          1HB       PRO  95   4.820  -9.699 -18.553
  752   2HB   PRO  95          2HB       PRO  95   5.592 -10.308 -17.056
  753   1HG   PRO  95          1HG       PRO  95   2.992 -11.212 -18.319
  754   2HG   PRO  95          2HG       PRO  95   4.321 -12.221 -17.666
  755   1HD   PRO  95          1HD       PRO  95   2.080 -11.699 -16.222
  756   2HD   PRO  95          2HD       PRO  95   3.683 -11.780 -15.436
  757    H    GLU  96           H        GLU  96   1.470  -9.316 -17.592
  758    HA   GLU  96           HA       GLU  96   1.021  -7.322 -19.394
  759   1HB   GLU  96          1HB       GLU  96  -0.444  -9.185 -18.627
  760   2HB   GLU  96          2HB       GLU  96  -0.759  -8.317 -17.124
  761   1HG   GLU  96          1HG       GLU  96  -1.841  -6.493 -18.465
  762   2HG   GLU  96          2HG       GLU  96  -1.595  -7.466 -19.923
  763    H    MET  97           H        MET  97   1.330  -6.869 -15.848
  764    HA   MET  97           HA       MET  97   0.477  -4.049 -16.101
  765   1HB   MET  97          1HB       MET  97  -0.767  -5.872 -14.691
  766   2HB   MET  97          2HB       MET  97   0.591  -5.730 -13.573
  767   1HG   MET  97          1HG       MET  97  -1.288  -4.360 -12.893
  768   2HG   MET  97          2HG       MET  97   0.089  -3.331 -13.295
  769   1HE   MET  97          1HE       MET  97  -3.173  -1.249 -14.253
  770   2HE   MET  97          2HE       MET  97  -3.038  -2.433 -12.941
  771   3HE   MET  97          3HE       MET  97  -1.718  -1.275 -13.231
  772    H    ARG  98           H        ARG  98   3.319  -5.635 -16.214
  773    HA   ARG  98           HA       ARG  98   4.886  -4.875 -14.053
  774   1HB   ARG  98          1HB       ARG  98   5.584  -6.439 -15.765
  775   2HB   ARG  98          2HB       ARG  98   5.601  -5.171 -16.997
  776   1HG   ARG  98          1HG       ARG  98   7.529  -4.095 -15.941
  777   2HG   ARG  98          2HG       ARG  98   7.430  -5.191 -14.558
  778   1HD   ARG  98          1HD       ARG  98   9.215  -5.914 -16.035
  779   2HD   ARG  98          2HD       ARG  98   7.914  -7.115 -16.020
  780    HE   ARG  98           HE       ARG  98   7.786  -5.113 -18.171
  781   1HH1  ARG  98          1HH2      ARG  98   9.019  -8.323 -17.284
  782   2HH1  ARG  98          2HH2      ARG  98   9.121  -8.889 -18.909
  783   1HH2  ARG  98          1HH1      ARG  98   7.912  -5.869 -20.336
  784   2HH2  ARG  98          2HH1      ARG  98   8.490  -7.453 -20.680
  785    H    GLY  99           H        GLY  99   4.056  -2.850 -16.886
  786   1HA   GLY  99          1HA       GLY  99   5.852  -0.722 -16.321
  787   2HA   GLY  99          2HA       GLY  99   4.402  -0.645 -17.329
  788    H    LYS 100           H        LYS 100   3.020  -1.617 -14.546
  789    HA   LYS 100           HA       LYS 100   2.674   1.157 -13.482
  790   1HB   LYS 100          1HB       LYS 100   0.673  -0.968 -14.294
  791   2HB   LYS 100          2HB       LYS 100   0.241   0.281 -13.125
  792   1HG   LYS 100          1HG       LYS 100   0.624   2.059 -14.665
  793   2HG   LYS 100          2HG       LYS 100   1.365   0.983 -15.866
  794   1HD   LYS 100          1HD       LYS 100  -0.674  -0.163 -16.284
  795   2HD   LYS 100          2HD       LYS 100  -1.486   0.570 -14.909
  796   1HE   LYS 100          1HE       LYS 100  -0.562   2.106 -17.391
  797   2HE   LYS 100          2HE       LYS 100  -2.196   1.498 -17.108
  798   1HZ   LYS 100          1HZ       LYS 100  -2.558   3.467 -16.192
  799   2HZ   LYS 100          2HZ       LYS 100  -1.827   2.890 -14.892
  800   3HZ   LYS 100          3HZ       LYS 100  -0.956   3.823 -15.941
  801    H    VAL 101           H        VAL 101   3.890  -1.823 -12.579
  802    HA   VAL 101           HA       VAL 101   2.943  -1.592  -9.779
  803    HB   VAL 101           HB       VAL 101   4.944  -3.492 -11.066
  804   1HG1  VAL 101          1HG1      VAL 101   4.762  -4.786  -8.983
  805   2HG1  VAL 101          2HG1      VAL 101   5.353  -3.169  -8.629
  806   3HG1  VAL 101          3HG1      VAL 101   3.660  -3.571  -8.293
  807   1HG2  VAL 101          1HG2      VAL 101   2.076  -4.055 -10.173
  808   2HG2  VAL 101          2HG2      VAL 101   2.616  -3.937 -11.854
  809   3HG2  VAL 101          3HG2      VAL 101   3.233  -5.231 -10.835
  810    H    MET 102           H        MET 102   4.211  -0.520  -8.236
  811    HA   MET 102           HA       MET 102   7.073  -0.143  -8.612
  812   1HB   MET 102          1HB       MET 102   7.064   2.308  -8.581
  813   2HB   MET 102          2HB       MET 102   6.194   1.722  -9.995
  814   1HG   MET 102          1HG       MET 102   4.044   1.986  -8.595
  815   2HG   MET 102          2HG       MET 102   5.048   2.881  -7.445
  816   1HE   MET 102          1HE       MET 102   2.368   3.795  -8.897
  817   2HE   MET 102          2HE       MET 102   3.222   4.714  -7.645
  818   3HE   MET 102          3HE       MET 102   2.767   5.513  -9.165
  819    H    LEU 103           H        LEU 103   7.832   1.402  -6.595
  820    HA   LEU 103           HA       LEU 103   6.347   0.300  -4.280
  821   1HB   LEU 103          1HB       LEU 103   8.396   0.719  -2.945
  822   2HB   LEU 103          2HB       LEU 103   8.382  -0.617  -4.086
  823    HG   LEU 103           HG       LEU 103   9.794   0.853  -5.644
  824   1HD1  LEU 103          1HD1      LEU 103  10.042   2.550  -3.124
  825   2HD1  LEU 103          2HD1      LEU 103  11.119   2.638  -4.534
  826   3HD1  LEU 103          3HD1      LEU 103   9.421   3.061  -4.720
  827   1HD2  LEU 103          1HD2      LEU 103  10.695  -0.995  -4.281
  828   2HD2  LEU 103          2HD2      LEU 103  11.852   0.343  -4.369
  829   3HD2  LEU 103          3HD2      LEU 103  10.885   0.103  -2.897
  830    H    PHE 104           H        PHE 104   5.946   1.442  -2.447
  831    HA   PHE 104           HA       PHE 104   4.941   4.004  -3.024
  832   1HB   PHE 104          1HB       PHE 104   4.205   2.088  -1.376
  833   2HB   PHE 104          2HB       PHE 104   5.272   2.871  -0.227
  834    HD1  PHE 104           HD1      PHE 104   2.825   4.246  -2.785
  835    HD2  PHE 104           HD2      PHE 104   3.827   3.816   1.382
  836    HE1  PHE 104           HE1      PHE 104   0.845   5.556  -2.185
  837    HE2  PHE 104           HE2      PHE 104   1.799   5.106   1.994
  838    HZ   PHE 104           HZ       PHE 104   0.273   5.936   0.200
  839    H    GLY 105           H        GLY 105   7.942   3.041  -1.350
  840   1HA   GLY 105          1HA       GLY 105   8.424   5.686  -0.262
  841   2HA   GLY 105          2HA       GLY 105   9.521   4.306  -0.243
  842    H    HIS 106           H        HIS 106   8.424   4.868  -3.414
  843    HA   HIS 106           HA       HIS 106  10.668   5.507  -4.754
  844   1HB   HIS 106          1HB       HIS 106   8.603   5.064  -5.843
  845   2HB   HIS 106          2HB       HIS 106   7.859   6.520  -5.168
  846    HD1  HIS 106           HD1      HIS 106  10.952   5.871  -7.495
  847    HD2  HIS 106           HD2      HIS 106   7.651   8.417  -6.882
  848    HE1  HIS 106           HE1      HIS 106  11.033   7.605  -9.351
  849    H    TRP 107           H        TRP 107   8.571   8.095  -3.283
  850    HA   TRP 107           HA       TRP 107  10.148  10.232  -4.272
  851   1HB   TRP 107          1HB       TRP 107   8.433  10.188  -1.769
  852   2HB   TRP 107          2HB       TRP 107   8.864  11.601  -2.729
  853    HD1  TRP 107           HD1      TRP 107   6.264   8.989  -2.343
  854    HE1  TRP 107           HE1      TRP 107   4.533   9.098  -4.181
  855    HE3  TRP 107           HE3      TRP 107   8.686  12.195  -5.532
  856    HZ2  TRP 107           HZ2      TRP 107   4.181  10.456  -6.740
  857    HZ3  TRP 107           HZ3      TRP 107   7.628  12.855  -7.678
  858    HH2  TRP 107           HH2      TRP 107   5.373  11.985  -8.287
  859    H    ASP 108           H        ASP 108  10.599   8.159  -1.471
  860    HA   ASP 108           HA       ASP 108  12.579  10.016  -0.244
  861   1HB   ASP 108          1HB       ASP 108  10.793   8.905   1.177
  862   2HB   ASP 108          2HB       ASP 108  11.515   7.344   0.776
  863    H    ASN 109           H        ASN 109  13.430   9.620  -2.524
  864    HA   ASN 109           HA       ASN 109  15.089   8.788  -3.816
  865   1HB   ASN 109          1HB       ASN 109  16.191   9.915  -1.848
  866   2HB   ASN 109          2HB       ASN 109  16.450   8.322  -1.141
  867   1HD2  ASN 109          2HD2      ASN 109  17.587   6.774  -2.578
  868   2HD2  ASN 109          1HD2      ASN 109  18.989   7.358  -3.490
  869    H    GLU 110           H        GLU 110  13.151   7.060  -3.825
  870    HA   GLU 110           HA       GLU 110  12.418   4.958  -3.819
  871   1HB   GLU 110          1HB       GLU 110  13.464   3.586  -5.487
  872   2HB   GLU 110          2HB       GLU 110  13.408   5.271  -5.930
  873   1HG   GLU 110          1HG       GLU 110  15.454   4.624  -6.723
  874   2HG   GLU 110          2HG       GLU 110  15.883   5.440  -5.242
  875    H    CYS 111           H        CYS 111  13.496   5.375  -1.284
  876    HA   CYS 111           HA       CYS 111  14.901   2.962  -0.471
  877   1HB   CYS 111          1HB       CYS 111  13.341   5.054   1.105
  878   2HB   CYS 111          2HB       CYS 111  14.174   3.666   1.835
  879    HG   CYS 111           HG       CYS 111  15.327   6.155   0.042
  880    H    GLU 112           H        GLU 112  14.019   0.984  -0.065
  881    HA   GLU 112           HA       GLU 112  11.109   0.640  -0.257
  882   1HB   GLU 112          1HB       GLU 112  11.581  -1.714   0.127
  883   2HB   GLU 112          2HB       GLU 112  12.355  -1.042  -1.310
  884   1HG   GLU 112          1HG       GLU 112  14.521  -1.022  -0.111
  885   2HG   GLU 112          2HG       GLU 112  13.723  -1.669   1.332
  886    H    ILE 113           H        ILE 113   9.956  -0.545   1.467
  887    HA   ILE 113           HA       ILE 113  10.542   0.907   3.983
  888    HB   ILE 113           HB       ILE 113   7.986  -0.171   2.786
  889   1HG1  ILE 113          1HG1      ILE 113   9.194   2.620   2.890
  890   2HG1  ILE 113          2HG1      ILE 113   8.850   1.658   1.459
  891   1HG2  ILE 113          1HG2      ILE 113   7.851  -0.113   5.270
  892   2HG2  ILE 113          2HG2      ILE 113   8.216   1.625   5.221
  893   3HG2  ILE 113          3HG2      ILE 113   6.734   0.990   4.489
  894   1HD1  ILE 113          1HD1      ILE 113   6.407   1.831   1.956
  895   2HD1  ILE 113          2HD1      ILE 113   6.822   2.990   3.253
  896   3HD1  ILE 113          3HD1      ILE 113   7.216   3.365   1.573
  897    HA   PRO 114           HA       PRO 114  11.343  -2.973   6.091
  898   1HB   PRO 114          1HB       PRO 114  10.070  -1.705   8.496
  899   2HB   PRO 114          2HB       PRO 114  11.665  -2.490   8.346
  900   1HG   PRO 114          1HG       PRO 114  11.431   0.226   8.457
  901   2HG   PRO 114          2HG       PRO 114  12.628  -0.561   7.378
  902   1HD   PRO 114          1HD       PRO 114   9.918   0.570   6.664
  903   2HD   PRO 114          2HD       PRO 114  11.480   0.719   5.806
  904    H    ASP 115           H        ASP 115  10.184  -4.750   7.210
  905    HA   ASP 115           HA       ASP 115   7.325  -4.850   6.376
  906   1HB   ASP 115          1HB       ASP 115   8.828  -6.340   5.206
  907   2HB   ASP 115          2HB       ASP 115   9.368  -7.052   6.726
  908    HA   PRO 116           HA       PRO 116   7.026  -5.023  10.884
  909   1HB   PRO 116          1HB       PRO 116   4.612  -3.916  11.258
  910   2HB   PRO 116          2HB       PRO 116   5.942  -2.953  10.556
  911   1HG   PRO 116          1HG       PRO 116   3.736  -4.438   9.067
  912   2HG   PRO 116          2HG       PRO 116   4.209  -2.721   8.888
  913   1HD   PRO 116          1HD       PRO 116   5.195  -4.727   7.268
  914   2HD   PRO 116          2HD       PRO 116   6.172  -3.297   7.713
  915    H    TYR 117           H        TYR 117   5.501  -7.103   8.678
  916    HA   TYR 117           HA       TYR 117   3.297  -8.101   9.069
  917   1HB   TYR 117          1HB       TYR 117   5.090  -9.358   7.989
  918   2HB   TYR 117          2HB       TYR 117   5.634  -9.963   9.547
  919    HD1  TYR 117           HD1      TYR 117   2.639  -9.806   7.283
  920    HD2  TYR 117           HD2      TYR 117   4.646 -11.980  10.429
  921    HE1  TYR 117           HE1      TYR 117   0.972 -11.638   7.089
  922    HE2  TYR 117           HE2      TYR 117   3.011 -13.816  10.217
  923    HH   TYR 117           HH       TYR 117   1.111 -14.599   9.115
  924    H    ARG 118           H        ARG 118   5.402  -9.430  11.734
  925    HA   ARG 118           HA       ARG 118   3.164  -8.890  13.607
  926   1HB   ARG 118          1HB       ARG 118   4.559 -11.570  13.226
  927   2HB   ARG 118          2HB       ARG 118   3.609 -11.201  14.653
  928   1HG   ARG 118          1HG       ARG 118   2.356 -11.069  11.885
  929   2HG   ARG 118          2HG       ARG 118   2.544 -12.569  12.762
  930   1HD   ARG 118          1HD       ARG 118   0.330 -11.758  13.079
  931   2HD   ARG 118          2HD       ARG 118   1.177 -11.746  14.617
  932    HE   ARG 118           HE       ARG 118   0.257  -9.418  12.995
  933   1HH1  ARG 118          1HH2      ARG 118   1.792 -10.477  16.049
  934   2HH1  ARG 118          2HH2      ARG 118   1.545  -8.949  16.814
  935   1HH2  ARG 118          1HH1      ARG 118  -0.087  -7.502  14.003
  936   2HH2  ARG 118          2HH1      ARG 118   0.435  -7.204  15.632
  937    H    LYS 119           H        LYS 119   5.537  -7.432  13.082
  938    HA   LYS 119           HA       LYS 119   7.597  -8.113  15.057
  939   1HB   LYS 119          1HB       LYS 119   7.086  -5.576  13.443
  940   2HB   LYS 119          2HB       LYS 119   8.576  -5.958  14.301
  941   1HG   LYS 119          1HG       LYS 119   7.506  -7.527  11.913
  942   2HG   LYS 119          2HG       LYS 119   8.716  -6.249  11.851
  943   1HD   LYS 119          1HD       LYS 119  10.272  -7.580  13.198
  944   2HD   LYS 119          2HD       LYS 119   9.051  -8.840  13.411
  945   1HE   LYS 119          1HE       LYS 119  10.640  -9.504  11.692
  946   2HE   LYS 119          2HE       LYS 119   9.023  -9.318  11.013
  947   1HZ   LYS 119          1HZ       LYS 119  10.769  -8.355   9.620
  948   2HZ   LYS 119          2HZ       LYS 119   9.696  -7.209  10.060
  949   3HZ   LYS 119          3HZ       LYS 119  11.176  -7.291  10.782
  950    H    SER 120           H        SER 120   8.283  -6.102  16.501
  951    HA   SER 120           HA       SER 120   6.321  -5.701  18.500
  952   1HB   SER 120          1HB       SER 120   8.782  -4.003  17.904
  953   2HB   SER 120          2HB       SER 120   7.981  -4.212  19.473
  954    HG   SER 120           HG       SER 120   9.843  -5.535  19.264
  955    H    ARG 121           H        ARG 121   5.286  -3.678  19.201
  956    HA   ARG 121           HA       ARG 121   3.918  -2.351  17.124
  957   1HB   ARG 121          1HB       ARG 121   3.255  -2.621  19.591
  958   2HB   ARG 121          2HB       ARG 121   4.301  -1.232  19.932
  959   1HG   ARG 121          1HG       ARG 121   2.924   0.122  18.300
  960   2HG   ARG 121          2HG       ARG 121   1.908  -1.295  18.037
  961   1HD   ARG 121          1HD       ARG 121   0.649  -0.167  19.605
  962   2HD   ARG 121          2HD       ARG 121   1.569  -1.240  20.646
  963    HE   ARG 121           HE       ARG 121   2.876   0.560  21.407
  964   1HH1  ARG 121          1HH2      ARG 121   0.443   1.719  19.037
  965   2HH1  ARG 121          2HH2      ARG 121   0.778   3.402  19.428
  966   1HH2  ARG 121          1HH1      ARG 121   3.184   2.870  21.820
  967   2HH2  ARG 121          2HH1      ARG 121   2.210   3.999  20.894
  968    H    GLU 122           H        GLU 122   6.955  -1.454  18.774
  969    HA   GLU 122           HA       GLU 122   7.159   1.182  17.773
  970   1HB   GLU 122          1HB       GLU 122   8.529   0.127  19.558
  971   2HB   GLU 122          2HB       GLU 122   9.379  -0.834  18.359
  972   1HG   GLU 122          1HG       GLU 122   9.296   2.221  18.387
  973   2HG   GLU 122          2HG       GLU 122  10.514   1.284  19.242
  974    H    THR 123           H        THR 123   7.900  -1.987  16.234
  975    HA   THR 123           HA       THR 123   9.190  -0.818  13.924
  976    HB   THR 123           HB       THR 123   7.791  -3.503  14.023
  977    HG1  THR 123           1HG      THR 123  10.264  -2.814  15.225
  978   1HG2  THR 123          1HG2      THR 123  10.349  -2.532  12.678
  979   2HG2  THR 123          2HG2      THR 123   9.746  -4.202  12.642
  980   3HG2  THR 123          3HG2      THR 123   8.805  -2.906  11.881
  981    H    PHE 124           H        PHE 124   5.819  -1.909  14.714
  982    HA   PHE 124           HA       PHE 124   4.693  -1.277  12.164
  983   1HB   PHE 124          1HB       PHE 124   3.574  -1.469  14.971
  984   2HB   PHE 124          2HB       PHE 124   2.600  -0.822  13.676
  985    HD1  PHE 124           HD1      PHE 124   4.129  -3.909  14.993
  986    HD2  PHE 124           HD2      PHE 124   1.818  -2.152  11.798
  987    HE1  PHE 124           HE1      PHE 124   3.322  -6.155  14.331
  988    HE2  PHE 124           HE2      PHE 124   1.047  -4.421  11.131
  989    HZ   PHE 124           HZ       PHE 124   1.758  -6.405  12.424
  990    H    ALA 125           H        ALA 125   5.308   0.806  15.058
  991    HA   ALA 125           HA       ALA 125   4.005   3.094  13.968
  992   1HB   ALA 125          1HB       ALA 125   4.510   2.814  16.374
  993   2HB   ALA 125          2HB       ALA 125   6.250   2.952  16.031
  994   3HB   ALA 125          3HB       ALA 125   5.174   4.331  15.736
  995    H    ALA 126           H        ALA 126   7.451   2.030  13.833
  996    HA   ALA 126           HA       ALA 126   8.449   4.286  12.411
  997   1HB   ALA 126          1HB       ALA 126  10.278   2.774  11.743
  998   2HB   ALA 126          2HB       ALA 126   9.897   2.583  13.465
  999   3HB   ALA 126          3HB       ALA 126   9.346   1.366  12.290
 1000    H    VAL 127           H        VAL 127   7.140   1.142  11.173
 1001    HA   VAL 127           HA       VAL 127   7.336   1.889   8.437
 1002    HB   VAL 127           HB       VAL 127   5.608  -0.167   9.869
 1003   1HG1  VAL 127          1HG1      VAL 127   5.966   0.327   6.878
 1004   2HG1  VAL 127          2HG1      VAL 127   5.347  -1.186   7.558
 1005   3HG1  VAL 127          3HG1      VAL 127   4.444   0.310   7.796
 1006   1HG2  VAL 127          1HG2      VAL 127   7.274  -1.738   8.931
 1007   2HG2  VAL 127          2HG2      VAL 127   8.109  -0.398   8.128
 1008   3HG2  VAL 127          3HG2      VAL 127   8.099  -0.517   9.898
 1009    H    TYR 128           H        TYR 128   4.573   2.300  10.779
 1010    HA   TYR 128           HA       TYR 128   2.775   3.408   8.924
 1011   1HB   TYR 128          1HB       TYR 128   2.200   2.769  11.243
 1012   2HB   TYR 128          2HB       TYR 128   3.133   4.125  11.864
 1013    HD1  TYR 128           HD1      TYR 128   2.409   6.529  11.192
 1014    HD2  TYR 128           HD2      TYR 128  -0.080   3.050  10.593
 1015    HE1  TYR 128           HE1      TYR 128   0.474   7.994  10.815
 1016    HE2  TYR 128           HE2      TYR 128  -2.052   4.512  10.312
 1017    HH   TYR 128           HH       TYR 128  -2.851   6.697  10.282
 1018    H    THR 129           H        THR 129   5.370   5.056  10.840
 1019    HA   THR 129           HA       THR 129   4.710   7.677   9.950
 1020    HB   THR 129           HB       THR 129   7.420   6.578  10.829
 1021    HG1  THR 129           1HG      THR 129   5.910   6.096  12.390
 1022   1HG2  THR 129          1HG2      THR 129   7.583   8.868   9.932
 1023   2HG2  THR 129          2HG2      THR 129   6.238   9.393  10.968
 1024   3HG2  THR 129          3HG2      THR 129   7.783   8.880  11.689
 1025    H    LEU 130           H        LEU 130   6.984   5.219   8.608
 1026    HA   LEU 130           HA       LEU 130   7.932   6.914   6.499
 1027   1HB   LEU 130          1HB       LEU 130   9.138   4.996   7.411
 1028   2HB   LEU 130          2HB       LEU 130   7.888   3.889   6.847
 1029    HG   LEU 130           HG       LEU 130   8.498   4.178   4.565
 1030   1HD1  LEU 130          1HD1      LEU 130   8.972   6.607   4.425
 1031   2HD1  LEU 130          2HD1      LEU 130  10.405   6.394   5.463
 1032   3HD1  LEU 130          3HD1      LEU 130  10.354   5.694   3.832
 1033   1HD2  LEU 130          1HD2      LEU 130   9.968   2.759   6.037
 1034   2HD2  LEU 130          2HD2      LEU 130  10.810   3.385   4.605
 1035   3HD2  LEU 130          3HD2      LEU 130  11.077   4.118   6.200
 1036    H    LEU 131           H        LEU 131   5.215   4.590   6.713
 1037    HA   LEU 131           HA       LEU 131   4.415   4.855   3.956
 1038   1HB   LEU 131          1HB       LEU 131   2.883   4.037   6.461
 1039   2HB   LEU 131          2HB       LEU 131   2.177   4.039   4.852
 1040    HG   LEU 131           HG       LEU 131   4.583   2.342   5.644
 1041   1HD1  LEU 131          1HD1      LEU 131   2.506   1.638   6.792
 1042   2HD1  LEU 131          2HD1      LEU 131   1.671   1.554   5.219
 1043   3HD1  LEU 131          3HD1      LEU 131   3.018   0.453   5.584
 1044   1HD2  LEU 131          1HD2      LEU 131   4.152   1.147   3.543
 1045   2HD2  LEU 131          2HD2      LEU 131   2.878   2.319   3.127
 1046   3HD2  LEU 131          3HD2      LEU 131   4.575   2.830   3.256
 1047    H    GLU 132           H        GLU 132   3.633   6.741   6.936
 1048    HA   GLU 132           HA       GLU 132   1.617   8.337   5.728
 1049   1HB   GLU 132          1HB       GLU 132   2.143   8.177   8.211
 1050   2HB   GLU 132          2HB       GLU 132   3.561   9.185   7.909
 1051   1HG   GLU 132          1HG       GLU 132   1.628  10.729   6.732
 1052   2HG   GLU 132          2HG       GLU 132   0.652   9.896   7.927
 1053    H    ARG 133           H        ARG 133   5.176   8.942   6.095
 1054    HA   ARG 133           HA       ARG 133   5.302  11.340   4.599
 1055   1HB   ARG 133          1HB       ARG 133   7.287   9.017   4.737
 1056   2HB   ARG 133          2HB       ARG 133   7.618  10.549   3.926
 1057   1HG   ARG 133          1HG       ARG 133   7.322  11.774   6.042
 1058   2HG   ARG 133          2HG       ARG 133   6.925  10.258   6.866
 1059   1HD   ARG 133          1HD       ARG 133   9.250  10.853   7.308
 1060   2HD   ARG 133          2HD       ARG 133   9.153   9.363   6.370
 1061    HE   ARG 133           HE       ARG 133   9.739  12.053   5.182
 1062   1HH1  ARG 133          1HH2      ARG 133  10.604   8.617   5.461
 1063   2HH1  ARG 133          2HH2      ARG 133  11.823   8.671   4.226
 1064   1HH2  ARG 133          1HH1      ARG 133  11.437  12.147   3.627
 1065   2HH2  ARG 133          2HH1      ARG 133  12.331  10.714   3.212
 1066    H    SER 134           H        SER 134   5.532   7.977   3.431
 1067    HA   SER 134           HA       SER 134   5.887   8.596   0.700
 1068   1HB   SER 134          1HB       SER 134   4.558   6.153   1.939
 1069   2HB   SER 134          2HB       SER 134   5.218   6.270   0.300
 1070    HG   SER 134           HG       SER 134   6.596   6.345   2.791
 1071    H    ALA 135           H        ALA 135   2.830   7.920   2.520
 1072    HA   ALA 135           HA       ALA 135   1.115   8.168   0.273
 1073   1HB   ALA 135          1HB       ALA 135   0.434   7.098   2.409
 1074   2HB   ALA 135          2HB       ALA 135   0.536   8.673   3.227
 1075   3HB   ALA 135          3HB       ALA 135  -0.678   8.405   1.957
 1076    H    ARG 136           H        ARG 136   2.262  10.628   2.654
 1077    HA   ARG 136           HA       ARG 136   0.642  12.777   1.645
 1078   1HB   ARG 136          1HB       ARG 136   3.320  12.684   3.108
 1079   2HB   ARG 136          2HB       ARG 136   2.511  14.196   2.684
 1080   1HG   ARG 136          1HG       ARG 136   0.624  13.721   4.081
 1081   2HG   ARG 136          2HG       ARG 136   1.099  12.035   4.284
 1082   1HD   ARG 136          1HD       ARG 136   1.570  13.253   6.314
 1083   2HD   ARG 136          2HD       ARG 136   3.074  12.686   5.576
 1084    HE   ARG 136           HE       ARG 136   2.531  15.335   4.681
 1085   1HH1  ARG 136          1HH2      ARG 136   3.424  13.655   7.708
 1086   2HH1  ARG 136          2HH2      ARG 136   4.350  14.990   8.309
 1087   1HH2  ARG 136          1HH1      ARG 136   3.745  17.100   5.520
 1088   2HH2  ARG 136          2HH1      ARG 136   4.508  16.986   7.058
 1089    H    GLN 137           H        GLN 137   3.937  11.602   0.758
 1090    HA   GLN 137           HA       GLN 137   4.361  13.650  -1.173
 1091   1HB   GLN 137          1HB       GLN 137   5.643  10.933  -0.727
 1092   2HB   GLN 137          2HB       GLN 137   6.199  12.106  -1.943
 1093   1HG   GLN 137          1HG       GLN 137   6.686  13.764  -0.321
 1094   2HG   GLN 137          2HG       GLN 137   5.924  12.876   0.987
 1095   1HE2  GLN 137          2HE2      GLN 137   8.804  13.875   0.238
 1096   2HE2  GLN 137          1HE2      GLN 137   9.786  12.524   0.773
 1097    H    TRP 138           H        TRP 138   3.032  10.286  -1.543
 1098    HA   TRP 138           HA       TRP 138   2.611  10.535  -4.338
 1099   1HB   TRP 138          1HB       TRP 138   1.332   8.810  -2.208
 1100   2HB   TRP 138          2HB       TRP 138   0.694   8.844  -3.850
 1101    HD1  TRP 138           HD1      TRP 138   3.418   7.294  -1.850
 1102    HE1  TRP 138           HE1      TRP 138   5.159   6.159  -3.275
 1103    HE3  TRP 138           HE3      TRP 138   1.801   8.872  -6.442
 1104    HZ2  TRP 138           HZ2      TRP 138   5.799   5.914  -6.113
 1105    HZ3  TRP 138           HZ3      TRP 138   3.089   8.280  -8.477
 1106    HH2  TRP 138           HH2      TRP 138   5.108   6.849  -8.316
 1107    H    ALA 139           H        ALA 139   0.392  11.427  -1.588
 1108    HA   ALA 139           HA       ALA 139  -1.687  12.361  -3.258
 1109   1HB   ALA 139          1HB       ALA 139  -2.385  13.685  -1.287
 1110   2HB   ALA 139          2HB       ALA 139  -1.945  12.024  -0.833
 1111   3HB   ALA 139          3HB       ALA 139  -0.825  13.367  -0.507
 1112    H    GLN 140           H        GLN 140   1.228  14.062  -2.055
 1113    HA   GLN 140           HA       GLN 140   0.653  16.644  -2.962
 1114   1HB   GLN 140          1HB       GLN 140   2.424  16.152  -1.394
 1115   2HB   GLN 140          2HB       GLN 140   3.263  15.148  -2.562
 1116   1HG   GLN 140          1HG       GLN 140   4.451  17.190  -2.283
 1117   2HG   GLN 140          2HG       GLN 140   3.828  17.110  -3.923
 1118   1HE2  GLN 140          2HE2      GLN 140   1.872  18.462  -4.458
 1119   2HE2  GLN 140          1HE2      GLN 140   1.598  19.928  -3.535
 1120    H    ALA 141           H        ALA 141   2.051  13.866  -4.777
 1121    HA   ALA 141           HA       ALA 141   2.423  15.510  -7.177
 1122   1HB   ALA 141          1HB       ALA 141   3.149  13.408  -8.189
 1123   2HB   ALA 141          2HB       ALA 141   3.963  13.669  -6.632
 1124   3HB   ALA 141          3HB       ALA 141   2.624  12.499  -6.756
 1125    H    LEU 142           H        LEU 142   0.301  12.771  -6.210
 1126    HA   LEU 142           HA       LEU 142  -1.051  12.529  -8.652
 1127   1HB   LEU 142          1HB       LEU 142  -1.933  11.845  -5.827
 1128   2HB   LEU 142          2HB       LEU 142  -2.835  11.359  -7.256
 1129    HG   LEU 142           HG       LEU 142   0.061  10.531  -6.762
 1130   1HD1  LEU 142          1HD1      LEU 142  -2.503   8.977  -6.234
 1131   2HD1  LEU 142          2HD1      LEU 142  -0.848   8.360  -6.047
 1132   3HD1  LEU 142          3HD1      LEU 142  -1.433   9.653  -4.986
 1133   1HD2  LEU 142          1HD2      LEU 142  -0.403   8.771  -8.420
 1134   2HD2  LEU 142          2HD2      LEU 142  -2.033   9.422  -8.671
 1135   3HD2  LEU 142          3HD2      LEU 142  -0.589  10.379  -9.118
 1136    H    ASN 143           H        ASN 143  -2.017  14.481  -5.753
 1137    HA   ASN 143           HA       ASN 143  -4.435  15.375  -6.999
 1138   1HB   ASN 143          1HB       ASN 143  -4.888  16.527  -5.132
 1139   2HB   ASN 143          2HB       ASN 143  -3.666  15.482  -4.437
 1140   1HD2  ASN 143          2HD2      ASN 143  -1.384  16.451  -4.366
 1141   2HD2  ASN 143          1HD2      ASN 143  -1.223  18.192  -4.179
 1142    H    ALA 144           H        ALA 144  -1.189  16.218  -7.669
 1143    HA   ALA 144           HA       ALA 144  -2.022  18.694  -9.051
 1144   1HB   ALA 144          1HB       ALA 144   0.771  17.847  -8.137
 1145   2HB   ALA 144          2HB       ALA 144   0.350  19.383  -8.925
 1146   3HB   ALA 144          3HB       ALA 144  -0.258  19.031  -7.297
 1147    H    GLU 145           H        GLU 145  -2.321  15.894  -9.765
 1148    HA   GLU 145           HA       GLU 145  -2.258  14.536 -11.557
 1149   1HB   GLU 145          1HB       GLU 145  -3.360  16.885 -12.211
 1150   2HB   GLU 145          2HB       GLU 145  -2.043  16.963 -13.364
 1151   1HG   GLU 145          1HG       GLU 145  -4.099  14.720 -13.106
 1152   2HG   GLU 145          2HG       GLU 145  -4.225  16.065 -14.223
 1153    H    GLN 146           H        GLN 146   0.148  14.495 -10.400
 1154    HA   GLN 146           HA       GLN 146   1.794  13.751 -12.700
 1155   1HB   GLN 146          1HB       GLN 146   2.693  15.460 -10.329
 1156   2HB   GLN 146          2HB       GLN 146   3.830  14.597 -11.357
 1157   1HG   GLN 146          1HG       GLN 146   1.928  16.751 -12.368
 1158   2HG   GLN 146          2HG       GLN 146   3.602  17.006 -11.914
 1159   1HE2  GLN 146          2HE2      GLN 146   1.478  15.427 -14.312
 1160   2HE2  GLN 146          1HE2      GLN 146   2.725  15.205 -15.529
 1161    H    VAL 147           H        VAL 147   3.518  12.411 -12.087
 1162    HA   VAL 147           HA       VAL 147   3.262  10.576  -9.837
 1163    HB   VAL 147           HB       VAL 147   3.322   8.666 -11.596
 1164   1HG1  VAL 147          1HG1      VAL 147   0.705  10.162 -11.219
 1165   2HG1  VAL 147          2HG1      VAL 147   0.900   8.437 -11.626
 1166   3HG1  VAL 147          3HG1      VAL 147   1.440   9.045 -10.057
 1167   1HG2  VAL 147          1HG2      VAL 147   1.977  10.782 -13.365
 1168   2HG2  VAL 147          2HG2      VAL 147   3.572  10.056 -13.640
 1169   3HG2  VAL 147          3HG2      VAL 147   2.127   9.042 -13.711
  Start of MODEL   17
    1    H    MET   1           H        MET   1  -4.956   9.165 -15.940
    2    HA   MET   1           HA       MET   1  -4.179   9.992 -13.814
    3   1HB   MET   1          1HB       MET   1  -5.474  12.004 -13.622
    4   2HB   MET   1          2HB       MET   1  -7.003  11.118 -13.673
    5   1HG   MET   1          1HG       MET   1  -6.348  11.890 -11.389
    6   2HG   MET   1          2HG       MET   1  -6.644  10.163 -11.522
    7   1HE   MET   1          1HE       MET   1  -5.724   9.404  -9.497
    8   2HE   MET   1          2HE       MET   1  -4.076   9.612  -8.889
    9   3HE   MET   1          3HE       MET   1  -5.220  10.977  -8.845
   10    H    PHE   2           H        PHE   2  -3.980   8.304 -12.492
   11    HA   PHE   2           HA       PHE   2  -5.673   5.951 -12.754
   12   1HB   PHE   2          1HB       PHE   2  -4.042   5.140 -10.917
   13   2HB   PHE   2          2HB       PHE   2  -3.474   5.355 -12.554
   14    HD1  PHE   2           HD1      PHE   2  -1.875   7.092 -13.182
   15    HD2  PHE   2           HD2      PHE   2  -3.176   6.605  -9.101
   16    HE1  PHE   2           HE1      PHE   2   0.006   8.511 -12.410
   17    HE2  PHE   2           HE2      PHE   2  -1.281   8.002  -8.330
   18    HZ   PHE   2           HZ       PHE   2   0.303   8.979  -9.985
   19    H    ASN   3           H        ASN   3  -7.654   7.204 -12.090
   20    HA   ASN   3           HA       ASN   3  -7.982   8.112  -9.408
   21   1HB   ASN   3          1HB       ASN   3  -9.541   8.677 -11.257
   22   2HB   ASN   3          2HB       ASN   3 -10.094   6.998 -11.296
   23   1HD2  ASN   3          2HD2      ASN   3  -9.883   9.906  -9.157
   24   2HD2  ASN   3          1HD2      ASN   3 -11.198   9.445  -8.104
   25    H    ASN   4           H        ASN   4  -7.802   4.849 -10.641
   26    HA   ASN   4           HA       ASN   4  -8.917   3.777  -8.084
   27   1HB   ASN   4          1HB       ASN   4 -10.230   3.266 -10.199
   28   2HB   ASN   4          2HB       ASN   4  -8.814   2.393 -10.796
   29   1HD2  ASN   4          2HD2      ASN   4  -9.851   0.240 -10.756
   30   2HD2  ASN   4          1HD2      ASN   4 -10.290  -0.470  -9.238
   31    H    ILE   5           H        ILE   5  -7.425   2.774  -6.819
   32    HA   ILE   5           HA       ILE   5  -4.771   2.020  -7.998
   33    HB   ILE   5           HB       ILE   5  -5.421   3.669  -5.524
   34   1HG1  ILE   5          1HG1      ILE   5  -4.119   4.579  -8.124
   35   2HG1  ILE   5          2HG1      ILE   5  -5.756   4.972  -7.598
   36   1HG2  ILE   5          1HG2      ILE   5  -3.362   2.375  -5.108
   37   2HG2  ILE   5          2HG2      ILE   5  -2.661   3.014  -6.612
   38   3HG2  ILE   5          3HG2      ILE   5  -3.005   4.066  -5.217
   39   1HD1  ILE   5          1HD1      ILE   5  -4.492   6.883  -7.161
   40   2HD1  ILE   5          2HD1      ILE   5  -4.822   6.136  -5.593
   41   3HD1  ILE   5          3HD1      ILE   5  -3.207   5.983  -6.347
   42    H    LEU   6           H        LEU   6  -3.561   0.471  -6.709
   43    HA   LEU   6           HA       LEU   6  -5.049  -0.855  -4.466
   44   1HB   LEU   6          1HB       LEU   6  -5.295  -2.190  -6.550
   45   2HB   LEU   6          2HB       LEU   6  -3.544  -2.199  -6.735
   46    HG   LEU   6           HG       LEU   6  -3.389  -3.495  -4.565
   47   1HD1  LEU   6          1HD1      LEU   6  -5.433  -4.609  -3.752
   48   2HD1  LEU   6          2HD1      LEU   6  -5.573  -2.866  -3.617
   49   3HD1  LEU   6          3HD1      LEU   6  -6.408  -3.714  -4.929
   50   1HD2  LEU   6          1HD2      LEU   6  -4.128  -5.643  -5.553
   51   2HD2  LEU   6          2HD2      LEU   6  -4.967  -4.751  -6.839
   52   3HD2  LEU   6          3HD2      LEU   6  -3.203  -4.657  -6.689
   53    H    VAL   7           H        VAL   7  -3.693  -1.477  -2.753
   54    HA   VAL   7           HA       VAL   7  -0.752  -1.178  -3.174
   55    HB   VAL   7           HB       VAL   7  -2.223  -0.920  -0.523
   56   1HG1  VAL   7          1HG1      VAL   7   0.633  -0.275  -1.412
   57   2HG1  VAL   7          2HG1      VAL   7  -0.043   0.092   0.179
   58   3HG1  VAL   7          3HG1      VAL   7   0.133  -1.587  -0.321
   59   1HG2  VAL   7          1HG2      VAL   7  -1.241   1.330  -2.339
   60   2HG2  VAL   7          2HG2      VAL   7  -2.927   0.998  -1.881
   61   3HG2  VAL   7          3HG2      VAL   7  -1.775   1.523  -0.656
   62    H    VAL   8           H        VAL   8   0.511  -2.912  -2.641
   63    HA   VAL   8           HA       VAL   8  -0.895  -5.414  -1.810
   64    HB   VAL   8           HB       VAL   8   1.175  -5.027  -4.006
   65   1HG1  VAL   8          1HG1      VAL   8   0.663  -7.300  -4.667
   66   2HG1  VAL   8          2HG1      VAL   8   1.167  -7.307  -2.980
   67   3HG1  VAL   8          3HG1      VAL   8  -0.563  -7.453  -3.389
   68   1HG2  VAL   8          1HG2      VAL   8  -0.925  -3.986  -4.739
   69   2HG2  VAL   8          2HG2      VAL   8  -0.629  -5.469  -5.621
   70   3HG2  VAL   8          3HG2      VAL   8  -1.825  -5.459  -4.300
   71    H    CYS   9           H        CYS   9   0.152  -6.537  -0.197
   72    HA   CYS   9           HA       CYS   9   3.081  -6.146   0.206
   73   1HB   CYS   9          1HB       CYS   9   1.017  -5.964   2.449
   74   2HB   CYS   9          2HB       CYS   9   2.775  -5.831   2.613
   75    HG   CYS   9           HG       CYS   9   0.533  -3.877   1.302
   76    H    VAL  10           H        VAL  10   3.644  -7.763   2.244
   77    HA   VAL  10           HA       VAL  10   2.535 -10.421   1.451
   78    HB   VAL  10           HB       VAL  10   4.937 -10.335   1.561
   79   1HG1  VAL  10          1HG1      VAL  10   4.732  -9.368   4.434
   80   2HG1  VAL  10          2HG1      VAL  10   6.216  -9.892   3.614
   81   3HG1  VAL  10          3HG1      VAL  10   5.370  -8.451   3.049
   82   1HG2  VAL  10          1HG2      VAL  10   3.933 -11.822   4.008
   83   2HG2  VAL  10          2HG2      VAL  10   3.816 -12.396   2.326
   84   3HG2  VAL  10          3HG2      VAL  10   5.401 -12.152   3.071
   85    H    GLY  11           H        GLY  11   1.320 -11.610   3.087
   86   1HA   GLY  11          1HA       GLY  11   0.088 -11.926   5.001
   87   2HA   GLY  11          2HA       GLY  11   0.889 -10.531   5.734
   88    H    ASN  12           H        ASN  12   0.099  -8.603   3.709
   89    HA   ASN  12           HA       ASN  12  -1.514  -7.270   2.941
   90   1HB   ASN  12          1HB       ASN  12  -2.574  -9.255   1.995
   91   2HB   ASN  12          2HB       ASN  12  -3.492  -9.510   3.482
   92   1HD2  ASN  12          2HD2      ASN  12  -3.483  -6.110   2.974
   93   2HD2  ASN  12          1HD2      ASN  12  -4.921  -6.077   1.950
   94    H    ILE  13           H        ILE  13  -2.615  -8.893   5.935
   95    HA   ILE  13           HA       ILE  13  -4.564  -7.143   6.707
   96    HB   ILE  13           HB       ILE  13  -4.216  -8.068   8.999
   97   1HG1  ILE  13          1HG1      ILE  13  -1.807  -9.537   7.821
   98   2HG1  ILE  13          2HG1      ILE  13  -1.685  -8.136   8.881
   99   1HG2  ILE  13          1HG2      ILE  13  -4.071 -10.156   6.777
  100   2HG2  ILE  13          2HG2      ILE  13  -4.749 -10.369   8.402
  101   3HG2  ILE  13          3HG2      ILE  13  -5.520  -9.258   7.282
  102   1HD1  ILE  13          1HD1      ILE  13  -1.355 -10.136  10.182
  103   2HD1  ILE  13          2HD1      ILE  13  -2.900  -9.402  10.666
  104   3HD1  ILE  13          3HD1      ILE  13  -2.879 -10.837   9.618
  105    H    CYS  14           H        CYS  14  -1.383  -5.969   6.549
  106    HA   CYS  14           HA       CYS  14  -1.907  -4.055   8.799
  107   1HB   CYS  14          1HB       CYS  14   0.577  -4.199   9.268
  108   2HB   CYS  14          2HB       CYS  14  -0.396  -5.603   9.723
  109    HG   CYS  14           HG       CYS  14   1.877  -6.479   8.870
  110    H    ARG  15           H        ARG  15   0.624  -4.400   6.197
  111    HA   ARG  15           HA       ARG  15   0.846  -1.529   6.220
  112   1HB   ARG  15          1HB       ARG  15   2.079  -3.708   4.490
  113   2HB   ARG  15          2HB       ARG  15   2.377  -1.982   4.229
  114   1HG   ARG  15          1HG       ARG  15   3.104  -1.802   6.636
  115   2HG   ARG  15          2HG       ARG  15   3.024  -3.565   6.749
  116   1HD   ARG  15          1HD       ARG  15   4.725  -1.987   4.767
  117   2HD   ARG  15          2HD       ARG  15   5.315  -2.641   6.294
  118    HE   ARG  15           HE       ARG  15   4.370  -4.900   5.164
  119   1HH1  ARG  15          1HH2      ARG  15   6.644  -2.451   4.077
  120   2HH1  ARG  15          2HH2      ARG  15   7.644  -3.554   3.218
  121   1HH2  ARG  15          1HH1      ARG  15   5.625  -6.307   4.086
  122   2HH2  ARG  15          2HH1      ARG  15   7.002  -5.818   3.113
  123    H    SER  16           H        SER  16  -0.553  -3.796   3.740
  124    HA   SER  16           HA       SER  16  -1.154  -1.860   1.884
  125   1HB   SER  16          1HB       SER  16  -3.049  -4.147   2.412
  126   2HB   SER  16          2HB       SER  16  -2.628  -3.374   0.880
  127    HG   SER  16           HG       SER  16  -1.558  -5.315   1.024
  128    HA   PRO  17           HA       PRO  17  -5.386  -0.795   3.786
  129   1HB   PRO  17          1HB       PRO  17  -5.909  -1.253   6.458
  130   2HB   PRO  17          2HB       PRO  17  -6.377  -2.313   5.104
  131   1HG   PRO  17          1HG       PRO  17  -3.977  -2.556   6.924
  132   2HG   PRO  17          2HG       PRO  17  -5.101  -3.849   6.407
  133   1HD   PRO  17          1HD       PRO  17  -2.718  -3.512   5.184
  134   2HD   PRO  17          2HD       PRO  17  -4.178  -3.937   4.249
  135    H    THR  18           H        THR  18  -2.436  -0.573   5.827
  136    HA   THR  18           HA       THR  18  -3.219   1.913   7.080
  137    HB   THR  18           HB       THR  18  -0.476   0.665   6.645
  138    HG1  THR  18           1HG      THR  18  -1.593  -0.688   7.905
  139   1HG2  THR  18          1HG2      THR  18   0.199   2.054   8.590
  140   2HG2  THR  18          2HG2      THR  18  -0.274   3.064   7.220
  141   3HG2  THR  18          3HG2      THR  18  -1.399   2.841   8.574
  142    H    ALA  19           H        ALA  19  -1.150   1.123   4.198
  143    HA   ALA  19           HA       ALA  19  -0.702   3.868   3.489
  144   1HB   ALA  19          1HB       ALA  19  -0.664   1.275   1.909
  145   2HB   ALA  19          2HB       ALA  19  -0.234   2.847   1.200
  146   3HB   ALA  19          3HB       ALA  19   0.728   2.188   2.548
  147    H    GLU  20           H        GLU  20  -3.157   1.450   2.427
  148    HA   GLU  20           HA       GLU  20  -4.439   3.052   0.515
  149   1HB   GLU  20          1HB       GLU  20  -4.784   0.687   0.700
  150   2HB   GLU  20          2HB       GLU  20  -5.392   0.834   2.345
  151   1HG   GLU  20          1HG       GLU  20  -6.998   2.418   0.455
  152   2HG   GLU  20          2HG       GLU  20  -6.876   0.732  -0.016
  153    H    ARG  21           H        ARG  21  -5.239   2.733   4.048
  154    HA   ARG  21           HA       ARG  21  -7.357   4.646   3.908
  155   1HB   ARG  21          1HB       ARG  21  -5.651   3.546   6.167
  156   2HB   ARG  21          2HB       ARG  21  -6.918   4.735   6.453
  157   1HG   ARG  21          1HG       ARG  21  -7.471   2.061   5.106
  158   2HG   ARG  21          2HG       ARG  21  -7.551   2.348   6.845
  159   1HD   ARG  21          1HD       ARG  21  -9.142   4.270   6.366
  160   2HD   ARG  21          2HD       ARG  21  -9.289   3.660   4.706
  161    HE   ARG  21           HE       ARG  21 -10.277   2.500   7.231
  162   1HH1  ARG  21          1HH2      ARG  21  -9.602   1.658   3.793
  163   2HH1  ARG  21          2HH2      ARG  21 -10.798   0.426   3.763
  164   1HH2  ARG  21          1HH1      ARG  21 -11.780   0.753   7.156
  165   2HH2  ARG  21          2HH1      ARG  21 -12.081  -0.046   5.654
  166    H    LEU  22           H        LEU  22  -3.839   5.050   4.584
  167    HA   LEU  22           HA       LEU  22  -3.983   7.822   5.273
  168   1HB   LEU  22          1HB       LEU  22  -1.845   6.072   4.015
  169   2HB   LEU  22          2HB       LEU  22  -1.595   7.797   4.205
  170    HG   LEU  22           HG       LEU  22  -2.355   6.082   6.595
  171   1HD1  LEU  22          1HD1      LEU  22   0.106   5.991   7.092
  172   2HD1  LEU  22          2HD1      LEU  22  -0.363   5.053   5.667
  173   3HD1  LEU  22          3HD1      LEU  22   0.420   6.624   5.454
  174   1HD2  LEU  22          1HD2      LEU  22  -0.900   8.754   6.291
  175   2HD2  LEU  22          2HD2      LEU  22  -2.560   8.526   6.880
  176   3HD2  LEU  22          3HD2      LEU  22  -1.199   7.909   7.819
  177    H    LEU  23           H        LEU  23  -3.624   6.188   2.074
  178    HA   LEU  23           HA       LEU  23  -3.521   8.600   0.544
  179   1HB   LEU  23          1HB       LEU  23  -4.399   5.775  -0.158
  180   2HB   LEU  23          2HB       LEU  23  -4.275   7.068  -1.345
  181    HG   LEU  23           HG       LEU  23  -1.882   6.331   0.370
  182   1HD1  LEU  23          1HD1      LEU  23  -2.607   4.249  -0.659
  183   2HD1  LEU  23          2HD1      LEU  23  -2.730   5.038  -2.258
  184   3HD1  LEU  23          3HD1      LEU  23  -1.162   4.814  -1.460
  185   1HD2  LEU  23          1HD2      LEU  23  -0.622   7.265  -1.526
  186   2HD2  LEU  23          2HD2      LEU  23  -2.134   7.592  -2.394
  187   3HD2  LEU  23          3HD2      LEU  23  -1.758   8.455  -0.886
  188    H    GLN  24           H        GLN  24  -6.313   6.538   1.563
  189    HA   GLN  24           HA       GLN  24  -8.324   8.042   0.231
  190   1HB   GLN  24          1HB       GLN  24  -8.359   6.419   2.812
  191   2HB   GLN  24          2HB       GLN  24  -9.789   7.193   2.174
  192   1HG   GLN  24          1HG       GLN  24  -8.169   5.043   0.743
  193   2HG   GLN  24          2HG       GLN  24  -9.695   4.810   1.590
  194   1HE2  GLN  24          2HE2      GLN  24 -11.233   6.993   0.690
  195   2HE2  GLN  24          1HE2      GLN  24 -11.364   6.952  -1.067
  196    H    ARG  25           H        ARG  25  -6.844   8.524   3.523
  197    HA   ARG  25           HA       ARG  25  -8.473  10.747   4.166
  198   1HB   ARG  25          1HB       ARG  25  -7.251   9.596   5.878
  199   2HB   ARG  25          2HB       ARG  25  -5.695   9.948   5.126
  200   1HG   ARG  25          1HG       ARG  25  -5.805  12.264   5.653
  201   2HG   ARG  25          2HG       ARG  25  -7.525  12.195   6.056
  202   1HD   ARG  25          1HD       ARG  25  -5.393  10.698   7.628
  203   2HD   ARG  25          2HD       ARG  25  -5.908  12.353   8.011
  204    HE   ARG  25           HE       ARG  25  -8.260  10.895   7.828
  205   1HH1  ARG  25          1HH2      ARG  25  -5.396  10.834   9.919
  206   2HH1  ARG  25          2HH2      ARG  25  -6.213  10.160  11.284
  207   1HH2  ARG  25          1HH1      ARG  25  -9.371  10.029   9.605
  208   2HH2  ARG  25          2HH1      ARG  25  -8.543   9.606  11.058
  209    H    TYR  26           H        TYR  26  -5.242  10.639   2.528
  210    HA   TYR  26           HA       TYR  26  -5.045  13.471   2.323
  211   1HB   TYR  26          1HB       TYR  26  -3.716  11.180   0.851
  212   2HB   TYR  26          2HB       TYR  26  -3.451  12.849   0.374
  213    HD1  TYR  26           HD1      TYR  26  -2.860  14.551   2.320
  214    HD2  TYR  26           HD2      TYR  26  -2.140  10.301   2.440
  215    HE1  TYR  26           HE1      TYR  26  -1.151  14.897   4.068
  216    HE2  TYR  26           HE2      TYR  26  -0.433  10.633   4.202
  217    HH   TYR  26           HH       TYR  26   0.624  12.170   5.598
  218    H    HIS  27           H        HIS  27  -6.486  11.067   0.054
  219    HA   HIS  27           HA       HIS  27  -7.770  13.308  -1.418
  220   1HB   HIS  27          1HB       HIS  27  -6.085  11.119  -2.670
  221   2HB   HIS  27          2HB       HIS  27  -7.163  12.211  -3.548
  222    HD1  HIS  27           HD1      HIS  27  -6.424  14.878  -3.571
  223    HD2  HIS  27           HD2      HIS  27  -3.665  12.058  -2.091
  224    HE1  HIS  27           HE1      HIS  27  -4.167  16.051  -3.487
  225    HA   PRO  28           HA       PRO  28 -10.640   9.839  -0.428
  226   1HB   PRO  28          1HB       PRO  28 -12.885  11.319   0.159
  227   2HB   PRO  28          2HB       PRO  28 -11.561  11.012   1.321
  228   1HG   PRO  28          1HG       PRO  28 -11.973  13.453  -0.429
  229   2HG   PRO  28          2HG       PRO  28 -11.607  13.398   1.326
  230   1HD   PRO  28          1HD       PRO  28  -9.666  13.797  -0.529
  231   2HD   PRO  28          2HD       PRO  28  -9.352  12.808   0.928
  232    H    GLU  29           H        GLU  29 -10.650  12.306  -2.874
  233    HA   GLU  29           HA       GLU  29 -12.951  11.336  -4.357
  234   1HB   GLU  29          1HB       GLU  29 -10.542  13.020  -5.176
  235   2HB   GLU  29          2HB       GLU  29 -11.963  12.748  -6.182
  236   1HG   GLU  29          1HG       GLU  29 -11.949  14.181  -3.489
  237   2HG   GLU  29          2HG       GLU  29 -12.017  14.943  -5.070
  238    H    LEU  30           H        LEU  30  -9.964   9.861  -3.721
  239    HA   LEU  30           HA       LEU  30  -9.826   8.487  -6.369
  240   1HB   LEU  30          1HB       LEU  30  -7.912   8.315  -4.013
  241   2HB   LEU  30          2HB       LEU  30  -7.695   7.606  -5.611
  242    HG   LEU  30           HG       LEU  30  -7.710  10.574  -4.949
  243   1HD1  LEU  30          1HD1      LEU  30  -5.350  10.503  -5.527
  244   2HD1  LEU  30          2HD1      LEU  30  -5.673   9.324  -4.245
  245   3HD1  LEU  30          3HD1      LEU  30  -5.452   8.772  -5.918
  246   1HD2  LEU  30          1HD2      LEU  30  -7.010  10.935  -7.291
  247   2HD2  LEU  30          2HD2      LEU  30  -7.285   9.209  -7.629
  248   3HD2  LEU  30          3HD2      LEU  30  -8.640  10.281  -7.184
  249    H    LYS  31           H        LYS  31  -9.638   6.149  -6.294
  250    HA   LYS  31           HA       LYS  31 -10.930   4.890  -3.896
  251   1HB   LYS  31          1HB       LYS  31 -12.301   4.652  -5.912
  252   2HB   LYS  31          2HB       LYS  31 -10.911   4.038  -6.825
  253   1HG   LYS  31          1HG       LYS  31 -10.812   2.020  -5.473
  254   2HG   LYS  31          2HG       LYS  31 -12.016   2.662  -4.334
  255   1HD   LYS  31          1HD       LYS  31 -13.746   2.632  -6.091
  256   2HD   LYS  31          2HD       LYS  31 -12.554   2.131  -7.287
  257   1HE   LYS  31          1HE       LYS  31 -13.839   0.212  -6.669
  258   2HE   LYS  31          2HE       LYS  31 -12.194  -0.001  -6.065
  259   1HZ   LYS  31          1HZ       LYS  31 -14.020  -0.601  -4.497
  260   2HZ   LYS  31          2HZ       LYS  31 -12.941   0.431  -3.854
  261   3HZ   LYS  31          3HZ       LYS  31 -14.420   0.970  -4.364
  262    H    VAL  32           H        VAL  32  -9.525   3.713  -2.751
  263    HA   VAL  32           HA       VAL  32  -7.171   2.531  -4.110
  264    HB   VAL  32           HB       VAL  32  -7.098   3.814  -1.355
  265   1HG1  VAL  32          1HG1      VAL  32  -4.656   3.614  -1.672
  266   2HG1  VAL  32          2HG1      VAL  32  -5.429   2.030  -1.776
  267   3HG1  VAL  32          3HG1      VAL  32  -4.906   2.857  -3.254
  268   1HG2  VAL  32          1HG2      VAL  32  -6.191   5.042  -3.991
  269   2HG2  VAL  32          2HG2      VAL  32  -7.407   5.683  -2.878
  270   3HG2  VAL  32          3HG2      VAL  32  -5.722   5.626  -2.387
  271    H    GLU  33           H        GLU  33  -6.870   0.408  -3.559
  272    HA   GLU  33           HA       GLU  33  -8.454  -0.679  -1.264
  273   1HB   GLU  33          1HB       GLU  33  -7.976  -1.930  -3.990
  274   2HB   GLU  33          2HB       GLU  33  -8.724  -2.751  -2.627
  275   1HG   GLU  33          1HG       GLU  33  -9.815  -0.334  -4.123
  276   2HG   GLU  33          2HG       GLU  33 -10.430  -1.983  -4.162
  277    H    SER  34           H        SER  34  -7.555  -2.951  -0.710
  278    HA   SER  34           HA       SER  34  -4.589  -2.761  -0.443
  279   1HB   SER  34          1HB       SER  34  -5.187  -3.279   2.047
  280   2HB   SER  34          2HB       SER  34  -5.388  -1.627   1.446
  281    HG   SER  34           HG       SER  34  -7.421  -1.718   1.897
  282    H    ALA  35           H        ALA  35  -3.710  -4.712  -1.038
  283    HA   ALA  35           HA       ALA  35  -5.152  -7.238  -0.401
  284   1HB   ALA  35          1HB       ALA  35  -4.066  -6.476  -3.146
  285   2HB   ALA  35          2HB       ALA  35  -4.764  -8.045  -2.702
  286   3HB   ALA  35          3HB       ALA  35  -5.791  -6.613  -2.704
  287    H    GLY  36           H        GLY  36  -3.429  -9.089  -1.333
  288   1HA   GLY  36          1HA       GLY  36  -0.659  -8.191  -1.121
  289   2HA   GLY  36          2HA       GLY  36  -1.186  -9.252   0.186
  290    H    LEU  37           H        LEU  37   0.937  -9.921  -1.430
  291    HA   LEU  37           HA       LEU  37   0.147 -11.692  -3.612
  292   1HB   LEU  37          1HB       LEU  37   2.725 -11.727  -1.975
  293   2HB   LEU  37          2HB       LEU  37   2.409 -12.582  -3.473
  294    HG   LEU  37           HG       LEU  37   2.914  -9.633  -3.058
  295   1HD1  LEU  37          1HD1      LEU  37   4.661 -10.040  -4.722
  296   2HD1  LEU  37          2HD1      LEU  37   4.794 -11.283  -3.442
  297   3HD1  LEU  37          3HD1      LEU  37   4.072 -11.688  -5.001
  298   1HD2  LEU  37          1HD2      LEU  37   2.461  -9.287  -5.490
  299   2HD2  LEU  37          2HD2      LEU  37   1.755 -10.921  -5.553
  300   3HD2  LEU  37          3HD2      LEU  37   1.006  -9.648  -4.557
  301    H    GLY  38           H        GLY  38   0.845 -12.011  -0.151
  302   1HA   GLY  38          1HA       GLY  38  -0.239 -14.805  -0.158
  303   2HA   GLY  38          2HA       GLY  38   1.168 -14.310   0.812
  304    H    ALA  39           H        ALA  39  -2.082 -13.004   0.006
  305    HA   ALA  39           HA       ALA  39  -2.398 -11.649   2.536
  306   1HB   ALA  39          1HB       ALA  39  -4.674 -11.210   1.715
  307   2HB   ALA  39          2HB       ALA  39  -3.525 -10.959   0.391
  308   3HB   ALA  39          3HB       ALA  39  -4.489 -12.459   0.475
  309    H    LEU  40           H        LEU  40  -4.282 -12.084   3.949
  310    HA   LEU  40           HA       LEU  40  -4.608 -15.010   4.520
  311   1HB   LEU  40          1HB       LEU  40  -4.530 -12.583   6.361
  312   2HB   LEU  40          2HB       LEU  40  -4.842 -14.242   6.877
  313    HG   LEU  40           HG       LEU  40  -2.244 -13.330   5.550
  314   1HD1  LEU  40          1HD1      LEU  40  -2.842 -13.773   8.499
  315   2HD1  LEU  40          2HD1      LEU  40  -1.249 -13.425   7.790
  316   3HD1  LEU  40          3HD1      LEU  40  -2.534 -12.214   7.698
  317   1HD2  LEU  40          1HD2      LEU  40  -2.627 -15.735   5.261
  318   2HD2  LEU  40          2HD2      LEU  40  -1.341 -15.465   6.435
  319   3HD2  LEU  40          3HD2      LEU  40  -2.966 -15.917   6.996
  320    H    VAL  41           H        VAL  41  -6.255 -14.743   2.812
  321    HA   VAL  41           HA       VAL  41  -8.159 -12.843   2.594
  322    HB   VAL  41           HB       VAL  41  -8.643 -15.794   2.060
  323   1HG1  VAL  41          1HG1      VAL  41 -10.043 -14.945   0.193
  324   2HG1  VAL  41          2HG1      VAL  41 -10.667 -14.415   1.755
  325   3HG1  VAL  41          3HG1      VAL  41  -9.764 -13.277   0.737
  326   1HG2  VAL  41          1HG2      VAL  41  -7.732 -15.235  -0.238
  327   2HG2  VAL  41          2HG2      VAL  41  -7.147 -13.696   0.435
  328   3HG2  VAL  41          3HG2      VAL  41  -6.518 -15.245   1.034
  329    H    GLY  42           H        GLY  42  -9.797 -12.044   3.687
  330   1HA   GLY  42          1HA       GLY  42 -11.889 -12.214   4.727
  331   2HA   GLY  42          2HA       GLY  42 -11.484 -13.810   5.362
  332    H    LYS  43           H        LYS  43  -8.738 -12.640   6.369
  333    HA   LYS  43           HA       LYS  43  -9.709 -11.947   8.998
  334   1HB   LYS  43          1HB       LYS  43  -6.928 -11.678   7.762
  335   2HB   LYS  43          2HB       LYS  43  -7.318 -11.346   9.454
  336   1HG   LYS  43          1HG       LYS  43  -8.286 -13.726   9.574
  337   2HG   LYS  43          2HG       LYS  43  -7.499 -14.019   8.014
  338   1HD   LYS  43          1HD       LYS  43  -5.301 -13.392   9.060
  339   2HD   LYS  43          2HD       LYS  43  -6.137 -13.151  10.607
  340   1HE   LYS  43          1HE       LYS  43  -6.950 -15.532  10.487
  341   2HE   LYS  43          2HE       LYS  43  -5.981 -15.763   9.028
  342   1HZ   LYS  43          1HZ       LYS  43  -3.997 -15.295  10.370
  343   2HZ   LYS  43          2HZ       LYS  43  -4.911 -15.078  11.710
  344   3HZ   LYS  43          3HZ       LYS  43  -4.832 -16.540  11.004
  345    H    GLY  44           H        GLY  44  -9.597  -9.961  10.123
  346   1HA   GLY  44          1HA       GLY  44 -10.123  -7.578   8.522
  347   2HA   GLY  44          2HA       GLY  44 -10.100  -7.711  10.285
  348    H    ALA  45           H        ALA  45  -8.953  -5.539   9.834
  349    HA   ALA  45           HA       ALA  45  -6.191  -5.591   8.991
  350   1HB   ALA  45          1HB       ALA  45  -7.428  -3.500   8.939
  351   2HB   ALA  45          2HB       ALA  45  -7.758  -3.594  10.678
  352   3HB   ALA  45          3HB       ALA  45  -6.093  -3.362  10.097
  353    H    ASP  46           H        ASP  46  -4.337  -5.538  10.292
  354    HA   ASP  46           HA       ASP  46  -4.273  -7.426  12.389
  355   1HB   ASP  46          1HB       ASP  46  -2.413  -7.041  10.903
  356   2HB   ASP  46          2HB       ASP  46  -2.267  -5.367  11.419
  357    HA   PRO  47           HA       PRO  47  -5.552  -4.931  15.872
  358   1HB   PRO  47          1HB       PRO  47  -3.591  -6.624  17.428
  359   2HB   PRO  47          2HB       PRO  47  -5.276  -6.179  17.846
  360   1HG   PRO  47          1HG       PRO  47  -4.724  -8.624  16.818
  361   2HG   PRO  47          2HG       PRO  47  -6.154  -7.709  16.237
  362   1HD   PRO  47          1HD       PRO  47  -3.453  -8.014  14.915
  363   2HD   PRO  47          2HD       PRO  47  -5.094  -8.059  14.198
  364    H    THR  48           H        THR  48  -2.005  -5.339  15.362
  365    HA   THR  48           HA       THR  48  -1.472  -3.082  17.193
  366    HB   THR  48           HB       THR  48   0.524  -4.645  15.546
  367    HG1  THR  48           1HG      THR  48  -0.524  -5.187  18.139
  368   1HG2  THR  48          1HG2      THR  48   1.390  -2.572  16.554
  369   2HG2  THR  48          2HG2      THR  48   0.704  -3.025  18.120
  370   3HG2  THR  48          3HG2      THR  48   2.043  -3.975  17.424
  371    H    ALA  49           H        ALA  49  -1.648  -3.841  13.688
  372    HA   ALA  49           HA       ALA  49  -0.681  -1.291  12.783
  373   1HB   ALA  49          1HB       ALA  49  -2.786  -3.084  11.502
  374   2HB   ALA  49          2HB       ALA  49  -1.853  -1.796  10.715
  375   3HB   ALA  49          3HB       ALA  49  -1.027  -3.253  11.288
  376    H    ILE  50           H        ILE  50  -3.958  -2.502  13.683
  377    HA   ILE  50           HA       ILE  50  -5.358  -0.050  13.401
  378    HB   ILE  50           HB       ILE  50  -5.741  -2.394  15.274
  379   1HG1  ILE  50          1HG1      ILE  50  -7.417  -1.599  12.853
  380   2HG1  ILE  50          2HG1      ILE  50  -6.054  -2.701  12.727
  381   1HG2  ILE  50          1HG2      ILE  50  -8.052  -1.548  15.721
  382   2HG2  ILE  50          2HG2      ILE  50  -6.835  -0.454  16.329
  383   3HG2  ILE  50          3HG2      ILE  50  -7.669  -0.073  14.808
  384   1HD1  ILE  50          1HD1      ILE  50  -8.581  -3.180  14.365
  385   2HD1  ILE  50          2HD1      ILE  50  -8.101  -3.990  12.880
  386   3HD1  ILE  50          3HD1      ILE  50  -7.154  -4.245  14.353
  387    H    SER  51           H        SER  51  -3.511  -1.370  16.254
  388    HA   SER  51           HA       SER  51  -4.133   0.703  18.019
  389   1HB   SER  51          1HB       SER  51  -1.501  -0.823  17.791
  390   2HB   SER  51          2HB       SER  51  -2.006   0.167  19.151
  391    HG   SER  51           HG       SER  51  -3.413  -2.133  18.206
  392    H    VAL  52           H        VAL  52  -1.215   0.589  15.825
  393    HA   VAL  52           HA       VAL  52  -0.442   3.226  16.634
  394    HB   VAL  52           HB       VAL  52   1.174   3.163  14.821
  395   1HG1  VAL  52          1HG1      VAL  52   2.491   1.307  15.679
  396   2HG1  VAL  52          2HG1      VAL  52   1.606   2.051  17.010
  397   3HG1  VAL  52          3HG1      VAL  52   1.049   0.507  16.324
  398   1HG2  VAL  52          1HG2      VAL  52  -0.108   1.964  13.065
  399   2HG2  VAL  52          2HG2      VAL  52   1.475   1.240  13.363
  400   3HG2  VAL  52          3HG2      VAL  52   0.019   0.471  14.009
  401    H    ALA  53           H        ALA  53  -2.623   2.097  14.018
  402    HA   ALA  53           HA       ALA  53  -2.690   4.706  12.765
  403   1HB   ALA  53          1HB       ALA  53  -4.718   2.446  12.585
  404   2HB   ALA  53          2HB       ALA  53  -4.424   3.760  11.419
  405   3HB   ALA  53          3HB       ALA  53  -3.205   2.509  11.645
  406    H    ALA  54           H        ALA  54  -4.620   3.108  15.330
  407    HA   ALA  54           HA       ALA  54  -6.662   5.085  15.496
  408   1HB   ALA  54          1HB       ALA  54  -5.558   3.224  17.646
  409   2HB   ALA  54          2HB       ALA  54  -7.094   4.109  17.722
  410   3HB   ALA  54          3HB       ALA  54  -6.866   2.844  16.500
  411    H    GLU  55           H        GLU  55  -3.356   4.962  16.901
  412    HA   GLU  55           HA       GLU  55  -3.589   7.209  18.574
  413   1HB   GLU  55          1HB       GLU  55  -1.664   5.569  18.335
  414   2HB   GLU  55          2HB       GLU  55  -1.137   6.497  16.922
  415   1HG   GLU  55          1HG       GLU  55  -0.842   8.501  18.301
  416   2HG   GLU  55          2HG       GLU  55  -1.536   7.681  19.702
  417    H    HIS  56           H        HIS  56  -3.672   7.060  15.091
  418    HA   HIS  56           HA       HIS  56  -3.648  10.035  14.886
  419   1HB   HIS  56          1HB       HIS  56  -3.033   7.929  12.779
  420   2HB   HIS  56          2HB       HIS  56  -3.045   9.673  12.517
  421    HD1  HIS  56           HD1      HIS  56  -1.083  11.071  14.021
  422    HD2  HIS  56           HD2      HIS  56  -0.766   6.892  13.628
  423    HE1  HIS  56           HE1      HIS  56   1.300  10.469  14.679
  424    H    GLN  57           H        GLN  57  -5.815   7.901  15.577
  425    HA   GLN  57           HA       GLN  57  -7.958   7.405  15.093
  426   1HB   GLN  57          1HB       GLN  57  -8.019  10.367  14.390
  427   2HB   GLN  57          2HB       GLN  57  -9.416   9.356  14.747
  428   1HG   GLN  57          1HG       GLN  57  -9.008  10.495  16.747
  429   2HG   GLN  57          2HG       GLN  57  -8.408   8.867  17.026
  430   1HE2  GLN  57          2HE2      GLN  57  -6.261   8.675  17.761
  431   2HE2  GLN  57          1HE2      GLN  57  -5.091   9.973  17.736
  432    H    LEU  58           H        LEU  58  -6.400   6.453  13.076
  433    HA   LEU  58           HA       LEU  58  -7.873   7.092  10.550
  434   1HB   LEU  58          1HB       LEU  58  -5.520   7.777  10.680
  435   2HB   LEU  58          2HB       LEU  58  -5.026   6.134  11.027
  436    HG   LEU  58           HG       LEU  58  -4.682   7.163   8.699
  437   1HD1  LEU  58          1HD1      LEU  58  -4.303   4.781   9.286
  438   2HD1  LEU  58          2HD1      LEU  58  -5.966   4.426   8.770
  439   3HD1  LEU  58          3HD1      LEU  58  -4.760   5.059   7.613
  440   1HD2  LEU  58          1HD2      LEU  58  -6.438   6.978   7.073
  441   2HD2  LEU  58          2HD2      LEU  58  -7.571   6.302   8.265
  442   3HD2  LEU  58          3HD2      LEU  58  -7.013   7.985   8.394
  443    H    SER  59           H        SER  59  -9.535   5.667  10.972
  444    HA   SER  59           HA       SER  59  -9.235   3.152  12.177
  445   1HB   SER  59          1HB       SER  59 -11.531   4.130  10.436
  446   2HB   SER  59          2HB       SER  59 -11.596   2.897  11.709
  447    HG   SER  59           HG       SER  59 -12.316   4.953  12.438
  448    H    LEU  60           H        LEU  60  -7.843   1.669  11.186
  449    HA   LEU  60           HA       LEU  60  -8.036   0.920   8.405
  450   1HB   LEU  60          1HB       LEU  60  -7.137  -0.867  10.684
  451   2HB   LEU  60          2HB       LEU  60  -6.769  -1.030   8.973
  452    HG   LEU  60           HG       LEU  60  -5.705   1.061  10.896
  453   1HD1  LEU  60          1HD1      LEU  60  -4.693  -1.210  10.978
  454   2HD1  LEU  60          2HD1      LEU  60  -4.298  -1.088   9.252
  455   3HD1  LEU  60          3HD1      LEU  60  -3.550   0.024  10.413
  456   1HD2  LEU  60          1HD2      LEU  60  -4.341   1.915   9.026
  457   2HD2  LEU  60          2HD2      LEU  60  -5.224   0.857   7.895
  458   3HD2  LEU  60          3HD2      LEU  60  -6.063   2.173   8.742
  459    H    GLU  61           H        GLU  61  -9.879   0.102  11.280
  460    HA   GLU  61           HA       GLU  61 -11.093  -2.251  10.686
  461   1HB   GLU  61          1HB       GLU  61 -11.449  -0.853  12.700
  462   2HB   GLU  61          2HB       GLU  61 -12.456   0.257  11.759
  463   1HG   GLU  61          1HG       GLU  61 -14.070  -1.578  11.322
  464   2HG   GLU  61          2HG       GLU  61 -13.033  -2.708  12.197
  465    H    GLY  62           H        GLY  62 -12.543  -3.074   9.277
  466   1HA   GLY  62          1HA       GLY  62 -14.405  -2.814   7.728
  467   2HA   GLY  62          2HA       GLY  62 -13.736  -1.261   7.206
  468    H    HIS  63           H        HIS  63 -10.899  -2.409   7.313
  469    HA   HIS  63           HA       HIS  63 -10.638  -3.460   4.667
  470   1HB   HIS  63          1HB       HIS  63  -8.740  -2.402   5.734
  471   2HB   HIS  63          2HB       HIS  63  -8.838  -3.496   7.119
  472    HD1  HIS  63           HD1      HIS  63  -7.859  -3.664   3.350
  473    HD2  HIS  63           HD2      HIS  63  -7.638  -5.852   6.953
  474    HE1  HIS  63           HE1      HIS  63  -6.583  -5.780   2.839
  475    H    CYS  64           H        CYS  64 -10.662  -5.513   3.945
  476    HA   CYS  64           HA       CYS  64 -10.574  -7.777   5.863
  477   1HB   CYS  64          1HB       CYS  64 -12.461  -7.428   3.493
  478   2HB   CYS  64          2HB       CYS  64 -12.195  -8.962   4.349
  479    HG   CYS  64           HG       CYS  64 -13.275  -6.077   5.575
  480    H    ALA  65           H        ALA  65  -8.896  -9.060   5.287
  481    HA   ALA  65           HA       ALA  65  -7.198  -8.336   3.146
  482   1HB   ALA  65          1HB       ALA  65  -6.003 -10.478   3.781
  483   2HB   ALA  65          2HB       ALA  65  -6.297  -9.347   5.115
  484   3HB   ALA  65          3HB       ALA  65  -7.328 -10.779   4.934
  485    H    ARG  66           H        ARG  66  -6.580  -9.435   1.282
  486    HA   ARG  66           HA       ARG  66  -8.372 -11.435   0.055
  487   1HB   ARG  66          1HB       ARG  66  -9.018  -9.772  -1.763
  488   2HB   ARG  66          2HB       ARG  66  -9.777  -9.537  -0.193
  489   1HG   ARG  66          1HG       ARG  66  -7.949  -7.758   0.271
  490   2HG   ARG  66          2HG       ARG  66  -7.574  -7.849  -1.447
  491   1HD   ARG  66          1HD       ARG  66  -9.670  -6.926  -2.046
  492   2HD   ARG  66          2HD       ARG  66 -10.410  -7.358  -0.486
  493    HE   ARG  66           HE       ARG  66  -8.293  -5.681   0.143
  494   1HH1  ARG  66          1HH2      ARG  66 -11.234  -5.234  -1.853
  495   2HH1  ARG  66          2HH2      ARG  66 -11.296  -3.521  -1.474
  496   1HH2  ARG  66          2HH1      ARG  66  -8.678  -3.459   0.804
  497   2HH2  ARG  66          1HH1      ARG  66  -9.926  -2.579  -0.078
  498    H    GLN  67           H        GLN  67  -7.139 -12.555  -1.444
  499    HA   GLN  67           HA       GLN  67  -4.352 -11.734  -1.779
  500   1HB   GLN  67          1HB       GLN  67  -5.210 -14.166  -1.469
  501   2HB   GLN  67          2HB       GLN  67  -5.734 -14.058  -3.162
  502   1HG   GLN  67          1HG       GLN  67  -3.349 -13.491  -3.789
  503   2HG   GLN  67          2HG       GLN  67  -2.903 -13.627  -2.094
  504   1HE2  GLN  67          2HE2      GLN  67  -1.312 -15.164  -3.035
  505   2HE2  GLN  67          1HE2      GLN  67  -1.802 -16.831  -3.289
  506    H    ILE  68           H        ILE  68  -3.367 -11.067  -3.557
  507    HA   ILE  68           HA       ILE  68  -4.877  -9.648  -5.526
  508    HB   ILE  68           HB       ILE  68  -2.497  -9.237  -4.765
  509   1HG1  ILE  68          1HG1      ILE  68  -2.934  -9.418  -7.779
  510   2HG1  ILE  68          2HG1      ILE  68  -3.598  -8.163  -6.724
  511   1HG2  ILE  68          1HG2      ILE  68  -1.762 -11.445  -6.732
  512   2HG2  ILE  68          2HG2      ILE  68  -0.670 -10.431  -5.784
  513   3HG2  ILE  68          3HG2      ILE  68  -1.700 -11.608  -4.965
  514   1HD1  ILE  68          1HD1      ILE  68  -1.226  -7.609  -6.045
  515   2HD1  ILE  68          2HD1      ILE  68  -0.673  -8.679  -7.355
  516   3HD1  ILE  68          3HD1      ILE  68  -1.658  -7.247  -7.725
  517    H    SER  69           H        SER  69  -5.139 -10.187  -7.711
  518    HA   SER  69           HA       SER  69  -4.529 -12.915  -8.633
  519   1HB   SER  69          1HB       SER  69  -6.784 -13.270  -9.464
  520   2HB   SER  69          2HB       SER  69  -6.882 -12.903  -7.727
  521    HG   SER  69           HG       SER  69  -8.414 -11.707  -8.833
  522    H    ARG  70           H        ARG  70  -4.737 -12.912 -11.149
  523    HA   ARG  70           HA       ARG  70  -3.524 -10.538 -12.213
  524   1HB   ARG  70          1HB       ARG  70  -3.362 -12.904 -13.133
  525   2HB   ARG  70          2HB       ARG  70  -4.978 -12.679 -13.824
  526   1HG   ARG  70          1HG       ARG  70  -4.136 -10.775 -15.180
  527   2HG   ARG  70          2HG       ARG  70  -2.555 -10.898 -14.380
  528   1HD   ARG  70          1HD       ARG  70  -2.364 -13.251 -15.241
  529   2HD   ARG  70          2HD       ARG  70  -3.851 -12.986 -16.179
  530    HE   ARG  70           HE       ARG  70  -2.207 -10.873 -16.897
  531   1HH1  ARG  70          1HH2      ARG  70  -1.978 -14.425 -17.090
  532   2HH1  ARG  70          2HH2      ARG  70  -0.853 -14.413 -18.396
  533   1HH2  ARG  70          1HH1      ARG  70  -0.624 -10.853 -18.455
  534   2HH2  ARG  70          2HH1      ARG  70  -0.118 -12.313 -19.274
  535    H    ARG  71           H        ARG  71  -6.935 -11.613 -11.968
  536    HA   ARG  71           HA       ARG  71  -8.063  -9.507 -13.537
  537   1HB   ARG  71          1HB       ARG  71  -9.194 -10.994 -11.120
  538   2HB   ARG  71          2HB       ARG  71 -10.111  -9.892 -12.153
  539   1HG   ARG  71          1HG       ARG  71  -9.653 -11.340 -14.123
  540   2HG   ARG  71          2HG       ARG  71  -8.780 -12.478 -13.079
  541   1HD   ARG  71          1HD       ARG  71 -10.863 -12.806 -11.730
  542   2HD   ARG  71          2HD       ARG  71 -11.710 -11.685 -12.795
  543    HE   ARG  71           HE       ARG  71 -11.795 -13.247 -14.483
  544   1HH1  ARG  71          1HH2      ARG  71  -9.840 -14.564 -11.822
  545   2HH1  ARG  71          2HH2      ARG  71  -9.831 -16.174 -12.440
  546   1HH2  ARG  71          1HH1      ARG  71 -11.785 -15.390 -15.300
  547   2HH2  ARG  71          2HH1      ARG  71 -10.968 -16.651 -14.459
  548    H    LEU  72           H        LEU  72  -7.245  -9.634  -9.989
  549    HA   LEU  72           HA       LEU  72  -8.021  -6.934  -9.533
  550   1HB   LEU  72          1HB       LEU  72  -6.319  -8.918  -8.080
  551   2HB   LEU  72          2HB       LEU  72  -5.938  -7.221  -7.799
  552    HG   LEU  72           HG       LEU  72  -8.375  -6.809  -7.345
  553   1HD1  LEU  72          1HD1      LEU  72  -9.334  -8.863  -8.344
  554   2HD1  LEU  72          2HD1      LEU  72  -8.522  -9.839  -7.100
  555   3HD1  LEU  72          3HD1      LEU  72  -9.793  -8.685  -6.646
  556   1HD2  LEU  72          1HD2      LEU  72  -6.669  -6.979  -5.547
  557   2HD2  LEU  72          2HD2      LEU  72  -8.247  -7.575  -5.020
  558   3HD2  LEU  72          3HD2      LEU  72  -6.969  -8.732  -5.441
  559    H    CYS  73           H        CYS  73  -4.843  -8.274 -10.649
  560    HA   CYS  73           HA       CYS  73  -3.499  -5.813 -10.605
  561   1HB   CYS  73          1HB       CYS  73  -3.147  -8.076 -12.634
  562   2HB   CYS  73          2HB       CYS  73  -2.002  -6.763 -12.348
  563    HG   CYS  73           HG       CYS  73  -3.071  -9.034 -10.171
  564    H    ARG  74           H        ARG  74  -5.793  -7.044 -13.061
  565    HA   ARG  74           HA       ARG  74  -5.291  -4.815 -14.896
  566   1HB   ARG  74          1HB       ARG  74  -7.470  -6.947 -14.735
  567   2HB   ARG  74          2HB       ARG  74  -7.332  -5.770 -16.044
  568   1HG   ARG  74          1HG       ARG  74  -5.189  -6.650 -16.743
  569   2HG   ARG  74          2HG       ARG  74  -5.098  -7.724 -15.339
  570   1HD   ARG  74          1HD       ARG  74  -7.125  -8.925 -16.114
  571   2HD   ARG  74          2HD       ARG  74  -7.178  -7.881 -17.556
  572    HE   ARG  74           HE       ARG  74  -4.582  -9.000 -17.384
  573   1HH1  ARG  74          1HH2      ARG  74  -7.877 -10.203 -18.032
  574   2HH1  ARG  74          2HH2      ARG  74  -7.319 -11.525 -18.991
  575   1HH2  ARG  74          1HH1      ARG  74  -3.889 -10.594 -18.572
  576   2HH2  ARG  74          2HH1      ARG  74  -4.932 -11.782 -19.339
  577    H    ASN  75           H        ASN  75  -7.392  -5.364 -12.120
  578    HA   ASN  75           HA       ASN  75  -9.563  -3.750 -12.936
  579   1HB   ASN  75          1HB       ASN  75  -9.693  -5.492 -11.190
  580   2HB   ASN  75          2HB       ASN  75  -8.668  -4.520 -10.132
  581   1HD2  ASN  75          1HD2      ASN  75  -9.714  -3.057  -8.757
  582   2HD2  ASN  75          2HD2      ASN  75 -11.417  -2.674  -8.888
  583    H    TYR  76           H        TYR  76  -6.494  -2.785 -11.469
  584    HA   TYR  76           HA       TYR  76  -7.596  -0.036 -11.039
  585   1HB   TYR  76          1HB       TYR  76  -5.263  -1.016  -9.436
  586   2HB   TYR  76          2HB       TYR  76  -6.385   0.275  -9.096
  587    HD1  TYR  76           HD1      TYR  76  -5.987  -3.408  -9.132
  588    HD2  TYR  76           HD2      TYR  76  -8.220  -0.083  -7.609
  589    HE1  TYR  76           HE1      TYR  76  -7.227  -4.937  -7.638
  590    HE2  TYR  76           HE2      TYR  76  -9.529  -1.585  -6.178
  591    HH   TYR  76           HH       TYR  76  -9.852  -3.812  -5.456
  592    H    ASP  77           H        ASP  77  -6.013   1.688 -11.514
  593    HA   ASP  77           HA       ASP  77  -4.556   0.832 -13.936
  594   1HB   ASP  77          1HB       ASP  77  -6.253   2.632 -14.027
  595   2HB   ASP  77          2HB       ASP  77  -5.248   3.612 -12.956
  596    H    LEU  78           H        LEU  78  -3.741   1.555 -10.699
  597    HA   LEU  78           HA       LEU  78  -0.888   1.641 -11.398
  598   1HB   LEU  78          1HB       LEU  78  -1.941   4.020 -11.096
  599   2HB   LEU  78          2HB       LEU  78  -2.047   3.625  -9.394
  600    HG   LEU  78           HG       LEU  78  -0.142   5.014  -9.872
  601   1HD1  LEU  78          1HD1      LEU  78   1.021   2.265  -9.325
  602   2HD1  LEU  78          2HD1      LEU  78   1.658   3.841  -8.849
  603   3HD1  LEU  78          3HD1      LEU  78   0.152   3.264  -8.129
  604   1HD2  LEU  78          1HD2      LEU  78   0.156   4.408 -12.253
  605   2HD2  LEU  78          2HD2      LEU  78   1.678   4.432 -11.351
  606   3HD2  LEU  78          3HD2      LEU  78   0.923   2.881 -11.764
  607    H    ILE  79           H        ILE  79   0.133   0.224 -10.048
  608    HA   ILE  79           HA       ILE  79  -1.344  -0.708  -7.625
  609    HB   ILE  79           HB       ILE  79   0.530  -2.396  -9.319
  610   1HG1  ILE  79          1HG1      ILE  79  -1.410  -1.934 -10.734
  611   2HG1  ILE  79          2HG1      ILE  79  -1.309  -3.619 -10.253
  612   1HG2  ILE  79          1HG2      ILE  79   0.410  -3.197  -7.072
  613   2HG2  ILE  79          2HG2      ILE  79  -1.347  -2.971  -6.995
  614   3HG2  ILE  79          3HG2      ILE  79  -0.662  -4.244  -8.010
  615   1HD1  ILE  79          1HD1      ILE  79  -3.618  -2.708 -10.276
  616   2HD1  ILE  79          2HD1      ILE  79  -3.145  -3.373  -8.707
  617   3HD1  ILE  79          3HD1      ILE  79  -3.167  -1.607  -8.957
  618    H    LEU  80           H        LEU  80  -0.174  -0.653  -5.780
  619    HA   LEU  80           HA       LEU  80   2.690   0.173  -5.952
  620   1HB   LEU  80          1HB       LEU  80   0.660   0.598  -3.714
  621   2HB   LEU  80          2HB       LEU  80   2.368   0.974  -3.627
  622    HG   LEU  80           HG       LEU  80   1.316   3.007  -3.958
  623   1HD1  LEU  80          1HD1      LEU  80   2.268   2.218  -6.741
  624   2HD1  LEU  80          2HD1      LEU  80   2.118   3.850  -6.092
  625   3HD1  LEU  80          3HD1      LEU  80   3.310   2.736  -5.397
  626   1HD2  LEU  80          1HD2      LEU  80  -0.314   3.592  -5.608
  627   2HD2  LEU  80          2HD2      LEU  80  -0.288   1.959  -6.296
  628   3HD2  LEU  80          3HD2      LEU  80  -0.883   2.217  -4.649
  629    H    THR  81           H        THR  81   4.135  -0.884  -4.772
  630    HA   THR  81           HA       THR  81   3.293  -3.214  -3.126
  631    HB   THR  81           HB       THR  81   5.402  -4.298  -3.903
  632    HG1  THR  81           1HG      THR  81   5.361  -2.174  -5.782
  633   1HG2  THR  81          1HG2      THR  81   3.363  -3.716  -6.092
  634   2HG2  THR  81          2HG2      THR  81   4.597  -4.985  -6.155
  635   3HG2  THR  81          3HG2      THR  81   3.329  -5.051  -4.921
  636    H    MET  82           H        MET  82   5.685  -3.615  -1.693
  637    HA   MET  82           HA       MET  82   6.677  -0.878  -1.022
  638   1HB   MET  82          1HB       MET  82   5.709  -3.014   0.918
  639   2HB   MET  82          2HB       MET  82   6.572  -1.536   1.349
  640   1HG   MET  82          1HG       MET  82   4.727  -0.253   0.111
  641   2HG   MET  82          2HG       MET  82   3.814  -1.767   0.158
  642   1HE   MET  82          1HE       MET  82   1.892   0.202   2.820
  643   2HE   MET  82          2HE       MET  82   2.514   0.762   1.248
  644   3HE   MET  82          3HE       MET  82   1.819  -0.869   1.411
  645    H    GLU  83           H        GLU  83   7.585  -4.067  -1.866
  646    HA   GLU  83           HA       GLU  83  10.375  -3.384  -1.153
  647   1HB   GLU  83          1HB       GLU  83   8.964  -6.002  -0.468
  648   2HB   GLU  83          2HB       GLU  83  10.721  -5.792  -0.460
  649   1HG   GLU  83          1HG       GLU  83  10.550  -4.041   1.264
  650   2HG   GLU  83          2HG       GLU  83   8.785  -4.147   1.238
  651    H    LYS  84           H        LYS  84  11.902  -4.323  -2.650
  652    HA   LYS  84           HA       LYS  84  10.880  -4.075  -5.265
  653   1HB   LYS  84          1HB       LYS  84  13.593  -5.146  -4.391
  654   2HB   LYS  84          2HB       LYS  84  13.172  -4.595  -6.020
  655   1HG   LYS  84          1HG       LYS  84  12.650  -2.329  -5.117
  656   2HG   LYS  84          2HG       LYS  84  13.126  -2.872  -3.500
  657   1HD   LYS  84          1HD       LYS  84  15.415  -3.417  -4.456
  658   2HD   LYS  84          2HD       LYS  84  14.934  -2.575  -5.935
  659   1HE   LYS  84          1HE       LYS  84  14.930  -1.384  -3.118
  660   2HE   LYS  84          2HE       LYS  84  16.239  -1.163  -4.278
  661   1HZ   LYS  84          1HZ       LYS  84  13.494  -0.320  -4.933
  662   2HZ   LYS  84          2HZ       LYS  84  14.498   0.659  -4.105
  663   3HZ   LYS  84          3HZ       LYS  84  14.893   0.188  -5.625
  664    H    ARG  85           H        ARG  85  11.495  -7.053  -3.421
  665    HA   ARG  85           HA       ARG  85  11.213  -8.892  -5.587
  666   1HB   ARG  85          1HB       ARG  85  10.646 -10.556  -3.964
  667   2HB   ARG  85          2HB       ARG  85  11.936  -9.550  -3.304
  668   1HG   ARG  85          1HG       ARG  85  10.251  -8.321  -1.927
  669   2HG   ARG  85          2HG       ARG  85   8.971  -9.342  -2.599
  670   1HD   ARG  85          1HD       ARG  85  10.029 -11.348  -1.634
  671   2HD   ARG  85          2HD       ARG  85  11.274 -10.335  -0.889
  672    HE   ARG  85           HE       ARG  85   8.401 -10.521  -0.201
  673   1HH1  ARG  85          1HH2      ARG  85  11.526  -9.084   0.651
  674   2HH1  ARG  85          2HH2      ARG  85  10.850  -7.933   1.772
  675   1HH2  ARG  85          1HH1      ARG  85   7.508  -8.846   1.141
  676   2HH2  ARG  85          2HH1      ARG  85   8.551  -7.899   2.138
  677    H    HIS  86           H        HIS  86   8.722  -6.993  -3.840
  678    HA   HIS  86           HA       HIS  86   6.582  -8.653  -4.876
  679   1HB   HIS  86          1HB       HIS  86   6.613  -5.971  -3.449
  680   2HB   HIS  86          2HB       HIS  86   5.136  -6.797  -3.949
  681    HD1  HIS  86           HD1      HIS  86   5.855  -9.744  -3.009
  682    HD2  HIS  86           HD2      HIS  86   6.339  -6.207  -0.798
  683    HE1  HIS  86           HE1      HIS  86   5.728 -10.414  -0.567
  684    H    ILE  87           H        ILE  87   8.153  -5.596  -5.905
  685    HA   ILE  87           HA       ILE  87   6.426  -5.011  -8.083
  686    HB   ILE  87           HB       ILE  87   9.460  -4.774  -8.112
  687   1HG1  ILE  87          1HG1      ILE  87   7.605  -2.630  -7.028
  688   2HG1  ILE  87          2HG1      ILE  87   8.549  -3.716  -6.001
  689   1HG2  ILE  87          1HG2      ILE  87   9.111  -2.942  -9.674
  690   2HG2  ILE  87          2HG2      ILE  87   8.201  -4.328 -10.254
  691   3HG2  ILE  87          3HG2      ILE  87   7.355  -3.004  -9.422
  692   1HD1  ILE  87          1HD1      ILE  87  10.623  -2.884  -7.295
  693   2HD1  ILE  87          2HD1      ILE  87   9.567  -1.565  -7.861
  694   3HD1  ILE  87          3HD1      ILE  87   9.856  -1.805  -6.128
  695    H    GLU  88           H        GLU  88   9.400  -7.051  -7.851
  696    HA   GLU  88           HA       GLU  88   9.416  -7.799 -10.553
  697   1HB   GLU  88          1HB       GLU  88  11.303  -7.842  -8.992
  698   2HB   GLU  88          2HB       GLU  88  10.612  -9.192  -8.114
  699   1HG   GLU  88          1HG       GLU  88  11.352  -9.285 -11.074
  700   2HG   GLU  88          2HG       GLU  88  12.492  -9.667  -9.786
  701    H    ARG  89           H        ARG  89   7.960  -9.533  -7.742
  702    HA   ARG  89           HA       ARG  89   7.136 -11.808  -9.269
  703   1HB   ARG  89          1HB       ARG  89   6.028 -10.622  -6.704
  704   2HB   ARG  89          2HB       ARG  89   5.522 -12.176  -7.364
  705   1HG   ARG  89          1HG       ARG  89   8.403 -11.547  -6.595
  706   2HG   ARG  89          2HG       ARG  89   7.222 -12.263  -5.503
  707   1HD   ARG  89          1HD       ARG  89   8.533 -14.028  -6.293
  708   2HD   ARG  89          2HD       ARG  89   6.998 -14.167  -7.166
  709    HE   ARG  89           HE       ARG  89   9.403 -12.785  -8.334
  710   1HH1  ARG  89          1HH2      ARG  89   7.031 -15.437  -8.666
  711   2HH1  ARG  89          2HH2      ARG  89   7.382 -15.676 -10.354
  712   1HH2  ARG  89          1HH1      ARG  89   9.908 -13.174 -10.463
  713   2HH2  ARG  89          2HH1      ARG  89   9.164 -14.493 -11.340
  714    H    LEU  90           H        LEU  90   5.465  -8.687  -8.535
  715    HA   LEU  90           HA       LEU  90   3.038  -9.512  -9.797
  716   1HB   LEU  90          1HB       LEU  90   3.422  -7.605  -8.170
  717   2HB   LEU  90          2HB       LEU  90   4.012  -6.639  -9.519
  718    HG   LEU  90           HG       LEU  90   1.318  -8.048  -9.699
  719   1HD1  LEU  90          1HD1      LEU  90   1.320  -6.918  -7.509
  720   2HD1  LEU  90          2HD1      LEU  90   1.760  -5.386  -8.286
  721   3HD1  LEU  90          3HD1      LEU  90   0.204  -6.169  -8.655
  722   1HD2  LEU  90          1HD2      LEU  90   2.072  -6.842 -11.741
  723   2HD2  LEU  90          2HD2      LEU  90   0.660  -6.073 -11.030
  724   3HD2  LEU  90          3HD2      LEU  90   2.268  -5.361 -10.792
  725    H    CYS  91           H        CYS  91   5.993  -7.896 -11.075
  726    HA   CYS  91           HA       CYS  91   5.003  -7.412 -13.682
  727   1HB   CYS  91          1HB       CYS  91   7.829  -8.086 -12.721
  728   2HB   CYS  91          2HB       CYS  91   7.440  -7.496 -14.337
  729    HG   CYS  91           HG       CYS  91   6.866  -6.047 -11.416
  730    H    GLU  92           H        GLU  92   6.237 -10.452 -12.246
  731    HA   GLU  92           HA       GLU  92   6.260 -11.839 -14.773
  732   1HB   GLU  92          1HB       GLU  92   7.618 -12.516 -12.804
  733   2HB   GLU  92          2HB       GLU  92   6.139 -12.981 -11.954
  734   1HG   GLU  92          1HG       GLU  92   5.637 -14.647 -13.732
  735   2HG   GLU  92          2HG       GLU  92   7.086 -14.150 -14.614
  736    H    MET  93           H        MET  93   3.889 -11.497 -12.071
  737    HA   MET  93           HA       MET  93   2.043 -13.435 -13.111
  738   1HB   MET  93          1HB       MET  93   1.644 -11.092 -11.207
  739   2HB   MET  93          2HB       MET  93   0.404 -12.292 -11.584
  740   1HG   MET  93          1HG       MET  93   1.996 -14.090 -10.807
  741   2HG   MET  93          2HG       MET  93   3.053 -12.819 -10.199
  742   1HE   MET  93          1HE       MET  93   0.673 -11.155  -7.462
  743   2HE   MET  93          2HE       MET  93   2.269 -11.061  -8.237
  744   3HE   MET  93          3HE       MET  93   0.788 -10.668  -9.154
  745    H    ALA  94           H        ALA  94   2.361  -9.895 -13.603
  746    HA   ALA  94           HA       ALA  94   0.261 -10.047 -15.709
  747   1HB   ALA  94          1HB       ALA  94  -0.800  -8.032 -14.787
  748   2HB   ALA  94          2HB       ALA  94  -0.856  -9.372 -13.624
  749   3HB   ALA  94          3HB       ALA  94   0.317  -8.056 -13.403
  750    HA   PRO  95           HA       PRO  95   3.976  -7.753 -17.325
  751   1HB   PRO  95          1HB       PRO  95   2.736  -8.989 -19.776
  752   2HB   PRO  95          2HB       PRO  95   4.469  -8.737 -19.389
  753   1HG   PRO  95          1HG       PRO  95   3.324 -11.193 -19.121
  754   2HG   PRO  95          2HG       PRO  95   4.480 -10.591 -17.894
  755   1HD   PRO  95          1HD       PRO  95   1.473 -10.643 -17.762
  756   2HD   PRO  95          2HD       PRO  95   2.670 -11.027 -16.495
  757    H    GLU  96           H        GLU  96   0.475  -7.831 -18.021
  758    HA   GLU  96           HA       GLU  96   0.124  -5.532 -19.557
  759   1HB   GLU  96          1HB       GLU  96  -1.486  -6.339 -17.072
  760   2HB   GLU  96          2HB       GLU  96  -2.027  -5.327 -18.412
  761   1HG   GLU  96          1HG       GLU  96  -2.941  -7.237 -19.152
  762   2HG   GLU  96          2HG       GLU  96  -1.316  -7.494 -19.814
  763    H    MET  97           H        MET  97   0.950  -5.861 -16.216
  764    HA   MET  97           HA       MET  97   0.796  -2.939 -15.682
  765   1HB   MET  97          1HB       MET  97  -0.712  -4.543 -14.503
  766   2HB   MET  97          2HB       MET  97   0.699  -5.341 -13.815
  767   1HG   MET  97          1HG       MET  97  -0.394  -3.849 -12.239
  768   2HG   MET  97          2HG       MET  97   1.267  -3.384 -12.540
  769   1HE   MET  97          1HE       MET  97  -2.518  -2.400 -12.853
  770   2HE   MET  97          2HE       MET  97  -2.472  -0.997 -13.935
  771   3HE   MET  97          3HE       MET  97  -2.113  -2.617 -14.572
  772    H    ARG  98           H        ARG  98   3.267  -5.220 -16.323
  773    HA   ARG  98           HA       ARG  98   5.102  -4.476 -14.269
  774   1HB   ARG  98          1HB       ARG  98   6.883  -5.360 -15.539
  775   2HB   ARG  98          2HB       ARG  98   5.488  -6.429 -15.672
  776   1HG   ARG  98          1HG       ARG  98   5.107  -5.644 -17.973
  777   2HG   ARG  98          2HG       ARG  98   6.411  -4.470 -17.824
  778   1HD   ARG  98          1HD       ARG  98   7.079  -6.500 -19.068
  779   2HD   ARG  98          2HD       ARG  98   8.069  -6.209 -17.630
  780    HE   ARG  98           HE       ARG  98   6.084  -7.948 -16.759
  781   1HH1  ARG  98          1HH2      ARG  98   8.588  -8.090 -19.276
  782   2HH1  ARG  98          2HH2      ARG  98   8.833  -9.788 -19.119
  783   1HH2  ARG  98          1HH1      ARG  98   6.413 -10.134 -16.520
  784   2HH2  ARG  98          2HH1      ARG  98   7.548 -11.002 -17.517
  785    H    GLY  99           H        GLY  99   6.707  -2.889 -14.140
  786   1HA   GLY  99          1HA       GLY  99   7.735  -0.873 -14.555
  787   2HA   GLY  99          2HA       GLY  99   6.939  -0.780 -16.131
  788    H    LYS 100           H        LYS 100   4.168  -1.014 -15.181
  789    HA   LYS 100           HA       LYS 100   3.717   1.677 -14.113
  790   1HB   LYS 100          1HB       LYS 100   1.869  -0.648 -14.754
  791   2HB   LYS 100          2HB       LYS 100   1.312   0.880 -14.055
  792   1HG   LYS 100          1HG       LYS 100   2.164   2.108 -16.024
  793   2HG   LYS 100          2HG       LYS 100   2.778   0.600 -16.713
  794   1HD   LYS 100          1HD       LYS 100   0.703   1.163 -17.794
  795   2HD   LYS 100          2HD       LYS 100   0.466  -0.301 -16.829
  796   1HE   LYS 100          1HE       LYS 100  -0.642   1.023 -15.053
  797   2HE   LYS 100          2HE       LYS 100  -0.311   2.518 -15.935
  798   1HZ   LYS 100          1HZ       LYS 100  -2.574   1.774 -16.299
  799   2HZ   LYS 100          2HZ       LYS 100  -1.752   1.723 -17.708
  800   3HZ   LYS 100          3HZ       LYS 100  -2.064   0.336 -16.898
  801    H    VAL 101           H        VAL 101   3.896  -1.630 -12.790
  802    HA   VAL 101           HA       VAL 101   2.967  -0.803 -10.169
  803    HB   VAL 101           HB       VAL 101   2.724  -3.102 -10.803
  804   1HG1  VAL 101          1HG1      VAL 101   5.754  -3.299 -11.022
  805   2HG1  VAL 101          2HG1      VAL 101   4.626  -4.664 -11.068
  806   3HG1  VAL 101          3HG1      VAL 101   4.591  -3.449 -12.343
  807   1HG2  VAL 101          1HG2      VAL 101   4.823  -2.915  -8.606
  808   2HG2  VAL 101          2HG2      VAL 101   3.078  -2.626  -8.413
  809   3HG2  VAL 101          3HG2      VAL 101   3.675  -4.230  -8.865
  810    H    MET 102           H        MET 102   4.310  -0.320  -8.369
  811    HA   MET 102           HA       MET 102   7.200  -0.205  -8.654
  812   1HB   MET 102          1HB       MET 102   7.446   2.199  -8.274
  813   2HB   MET 102          2HB       MET 102   6.588   1.903  -9.779
  814   1HG   MET 102          1HG       MET 102   4.411   2.319  -8.476
  815   2HG   MET 102          2HG       MET 102   5.430   2.842  -7.133
  816   1HE   MET 102          1HE       MET 102   3.796   3.637 -10.491
  817   2HE   MET 102          2HE       MET 102   4.704   5.019 -11.140
  818   3HE   MET 102          3HE       MET 102   5.439   3.401 -11.126
  819    H    LEU 103           H        LEU 103   7.985   1.016  -6.422
  820    HA   LEU 103           HA       LEU 103   6.300  -0.218  -4.313
  821   1HB   LEU 103          1HB       LEU 103   8.232   0.302  -2.782
  822   2HB   LEU 103          2HB       LEU 103   8.300  -1.082  -3.871
  823    HG   LEU 103           HG       LEU 103   9.838   0.231  -5.364
  824   1HD1  LEU 103          1HD1      LEU 103   9.831   2.229  -3.078
  825   2HD1  LEU 103          2HD1      LEU 103  11.002   2.170  -4.410
  826   3HD1  LEU 103          3HD1      LEU 103   9.315   2.512  -4.770
  827   1HD2  LEU 103          1HD2      LEU 103  10.649  -0.145  -2.453
  828   2HD2  LEU 103          2HD2      LEU 103  10.660  -1.399  -3.708
  829   3HD2  LEU 103          3HD2      LEU 103  11.774  -0.020  -3.812
  830    H    PHE 104           H        PHE 104   5.687   0.935  -2.479
  831    HA   PHE 104           HA       PHE 104   4.654   3.437  -3.101
  832   1HB   PHE 104          1HB       PHE 104   3.911   1.652  -1.388
  833   2HB   PHE 104          2HB       PHE 104   5.091   2.346  -0.285
  834    HD1  PHE 104           HD1      PHE 104   2.720   4.044  -2.686
  835    HD2  PHE 104           HD2      PHE 104   3.709   3.265   1.444
  836    HE1  PHE 104           HE1      PHE 104   0.900   5.511  -1.988
  837    HE2  PHE 104           HE2      PHE 104   1.842   4.745   2.146
  838    HZ   PHE 104           HZ       PHE 104   0.378   5.809   0.410
  839    H    GLY 105           H        GLY 105   7.701   2.633  -1.516
  840   1HA   GLY 105          1HA       GLY 105   8.240   5.337  -0.583
  841   2HA   GLY 105          2HA       GLY 105   9.335   3.953  -0.556
  842    H    HIS 106           H        HIS 106   8.028   4.377  -3.702
  843    HA   HIS 106           HA       HIS 106  10.222   4.854  -5.171
  844   1HB   HIS 106          1HB       HIS 106   8.120   4.461  -6.185
  845   2HB   HIS 106          2HB       HIS 106   7.430   5.951  -5.532
  846    HD1  HIS 106           HD1      HIS 106  10.259   5.007  -8.069
  847    HD2  HIS 106           HD2      HIS 106   7.388   7.956  -7.166
  848    HE1  HIS 106           HE1      HIS 106  10.378   6.719  -9.943
  849    H    TRP 107           H        TRP 107   8.317   7.624  -3.790
  850    HA   TRP 107           HA       TRP 107   9.992   9.612  -4.928
  851   1HB   TRP 107          1HB       TRP 107   8.440   9.922  -2.351
  852   2HB   TRP 107          2HB       TRP 107   8.801  11.153  -3.552
  853    HD1  TRP 107           HD1      TRP 107   6.249   8.656  -2.529
  854    HE1  TRP 107           HE1      TRP 107   4.308   8.556  -4.150
  855    HE3  TRP 107           HE3      TRP 107   8.239  11.443  -6.355
  856    HZ2  TRP 107           HZ2      TRP 107   3.631   9.598  -6.769
  857    HZ3  TRP 107           HZ3      TRP 107   6.898  11.878  -8.399
  858    HH2  TRP 107           HH2      TRP 107   4.577  10.981  -8.595
  859    H    ASP 108           H        ASP 108  10.415   7.641  -2.059
  860    HA   ASP 108           HA       ASP 108  12.421   9.477  -0.856
  861   1HB   ASP 108          1HB       ASP 108  10.626   8.383   0.543
  862   2HB   ASP 108          2HB       ASP 108  11.314   6.812   0.138
  863    H    ASN 109           H        ASN 109  13.242   8.916  -3.234
  864    HA   ASN 109           HA       ASN 109  14.834   7.926  -4.523
  865   1HB   ASN 109          1HB       ASN 109  16.185   9.100  -2.867
  866   2HB   ASN 109          2HB       ASN 109  16.145   7.693  -1.805
  867   1HD2  ASN 109          2HD2      ASN 109  18.279   7.235  -1.730
  868   2HD2  ASN 109          1HD2      ASN 109  19.262   6.777  -3.105
  869    H    GLU 110           H        GLU 110  12.800   6.292  -4.302
  870    HA   GLU 110           HA       GLU 110  11.994   4.233  -4.203
  871   1HB   GLU 110          1HB       GLU 110  12.995   2.649  -5.696
  872   2HB   GLU 110          2HB       GLU 110  13.051   4.271  -6.360
  873   1HG   GLU 110          1HG       GLU 110  15.421   4.456  -5.988
  874   2HG   GLU 110          2HG       GLU 110  15.453   3.005  -4.980
  875    H    CYS 111           H        CYS 111  13.062   4.797  -1.701
  876    HA   CYS 111           HA       CYS 111  14.531   2.573  -0.667
  877   1HB   CYS 111          1HB       CYS 111  14.250   4.838   0.428
  878   2HB   CYS 111          2HB       CYS 111  12.585   4.378   0.836
  879    HG   CYS 111           HG       CYS 111  13.269   2.211   2.200
  880    H    GLU 112           H        GLU 112  13.876   0.602   0.021
  881    HA   GLU 112           HA       GLU 112  11.067  -0.230  -0.310
  882   1HB   GLU 112          1HB       GLU 112  11.876  -2.421   0.364
  883   2HB   GLU 112          2HB       GLU 112  12.782  -1.807  -1.004
  884   1HG   GLU 112          1HG       GLU 112  13.851  -1.559   1.840
  885   2HG   GLU 112          2HG       GLU 112  14.003  -3.049   0.928
  886    H    ILE 113           H        ILE 113  10.017  -1.397   1.547
  887    HA   ILE 113           HA       ILE 113  10.448   0.203   4.043
  888    HB   ILE 113           HB       ILE 113   7.890  -0.761   2.776
  889   1HG1  ILE 113          1HG1      ILE 113   9.116   2.028   2.851
  890   2HG1  ILE 113          2HG1      ILE 113   8.857   1.033   1.422
  891   1HG2  ILE 113          1HG2      ILE 113   8.139   1.156   5.111
  892   2HG2  ILE 113          2HG2      ILE 113   6.677   0.418   4.434
  893   3HG2  ILE 113          3HG2      ILE 113   7.826  -0.575   5.304
  894   1HD1  ILE 113          1HD1      ILE 113   7.181   2.717   1.433
  895   2HD1  ILE 113          2HD1      ILE 113   6.385   1.173   1.793
  896   3HD1  ILE 113          3HD1      ILE 113   6.700   2.352   3.093
  897    HA   PRO 114           HA       PRO 114  10.874  -3.878   5.997
  898   1HB   PRO 114          1HB       PRO 114   9.902  -2.409   8.437
  899   2HB   PRO 114          2HB       PRO 114  11.338  -3.458   8.253
  900   1HG   PRO 114          1HG       PRO 114  11.581  -0.748   8.364
  901   2HG   PRO 114          2HG       PRO 114  12.577  -1.712   7.226
  902   1HD   PRO 114          1HD       PRO 114  10.041  -0.159   6.643
  903   2HD   PRO 114          2HD       PRO 114  11.574  -0.225   5.724
  904    H    ASP 115           H        ASP 115   9.455  -5.461   7.159
  905    HA   ASP 115           HA       ASP 115   6.552  -4.834   6.894
  906   1HB   ASP 115          1HB       ASP 115   7.456  -6.761   5.502
  907   2HB   ASP 115          2HB       ASP 115   7.767  -7.609   7.011
  908    HA   PRO 116           HA       PRO 116   6.942  -5.094  11.335
  909   1HB   PRO 116          1HB       PRO 116   4.441  -4.471  12.137
  910   2HB   PRO 116          2HB       PRO 116   5.465  -3.285  11.282
  911   1HG   PRO 116          1HG       PRO 116   3.302  -5.069  10.111
  912   2HG   PRO 116          2HG       PRO 116   3.522  -3.307   9.875
  913   1HD   PRO 116          1HD       PRO 116   4.465  -5.187   8.097
  914   2HD   PRO 116          2HD       PRO 116   5.321  -3.646   8.384
  915    H    TYR 117           H        TYR 117   5.002  -7.363   9.512
  916    HA   TYR 117           HA       TYR 117   3.504  -8.904  10.058
  917   1HB   TYR 117          1HB       TYR 117   5.553 -10.028   9.517
  918   2HB   TYR 117          2HB       TYR 117   6.108  -9.944  11.185
  919    HD1  TYR 117           HD1      TYR 117   2.756 -10.919   9.716
  920    HD2  TYR 117           HD2      TYR 117   6.194 -12.148  12.021
  921    HE1  TYR 117           HE1      TYR 117   1.664 -13.088  10.174
  922    HE2  TYR 117           HE2      TYR 117   5.101 -14.317  12.500
  923    HH   TYR 117           HH       TYR 117   1.838 -15.157  11.240
  924    H    ARG 118           H        ARG 118   5.250  -9.619  13.087
  925    HA   ARG 118           HA       ARG 118   2.890  -8.772  14.664
  926   1HB   ARG 118          1HB       ARG 118   4.168 -11.541  14.671
  927   2HB   ARG 118          2HB       ARG 118   3.027 -11.016  15.894
  928   1HG   ARG 118          1HG       ARG 118   2.241 -11.082  12.955
  929   2HG   ARG 118          2HG       ARG 118   2.218 -12.507  13.960
  930   1HD   ARG 118          1HD       ARG 118   0.021 -11.548  13.777
  931   2HD   ARG 118          2HD       ARG 118   0.563 -11.569  15.452
  932    HE   ARG 118           HE       ARG 118   0.012  -9.234  13.716
  933   1HH1  ARG 118          1HH2      ARG 118   1.189 -10.278  16.929
  934   2HH1  ARG 118          2HH2      ARG 118   0.954  -8.718  17.627
  935   1HH2  ARG 118          1HH1      ARG 118  -0.319  -7.269  14.640
  936   2HH2  ARG 118          2HH1      ARG 118   0.110  -6.942  16.293
  937    H    LYS 119           H        LYS 119   5.640  -7.731  14.210
  938    HA   LYS 119           HA       LYS 119   7.227  -8.375  16.575
  939   1HB   LYS 119          1HB       LYS 119   7.477  -6.230  14.415
  940   2HB   LYS 119          2HB       LYS 119   8.672  -6.519  15.683
  941   1HG   LYS 119          1HG       LYS 119   9.032  -8.826  14.884
  942   2HG   LYS 119          2HG       LYS 119   7.822  -8.603  13.624
  943   1HD   LYS 119          1HD       LYS 119  10.045  -8.389  12.674
  944   2HD   LYS 119          2HD       LYS 119   9.155  -6.885  12.540
  945   1HE   LYS 119          1HE       LYS 119  11.418  -6.348  13.131
  946   2HE   LYS 119          2HE       LYS 119  10.407  -5.983  14.528
  947   1HZ   LYS 119          1HZ       LYS 119  11.160  -8.089  15.516
  948   2HZ   LYS 119          2HZ       LYS 119  12.076  -8.419  14.201
  949   3HZ   LYS 119          3HZ       LYS 119  12.436  -7.148  15.148
  950    H    SER 120           H        SER 120   8.133  -6.108  17.605
  951    HA   SER 120           HA       SER 120   6.180  -5.468  19.505
  952   1HB   SER 120          1HB       SER 120   8.673  -3.866  18.796
  953   2HB   SER 120          2HB       SER 120   7.872  -3.963  20.377
  954    HG   SER 120           HG       SER 120   9.707  -5.328  20.257
  955    H    ARG 121           H        ARG 121   5.277  -3.367  20.087
  956    HA   ARG 121           HA       ARG 121   3.833  -2.104  18.013
  957   1HB   ARG 121          1HB       ARG 121   4.534  -1.069  20.802
  958   2HB   ARG 121          2HB       ARG 121   3.294  -0.385  19.743
  959   1HG   ARG 121          1HG       ARG 121   2.019  -2.479  19.801
  960   2HG   ARG 121          2HG       ARG 121   3.274  -3.266  20.752
  961   1HD   ARG 121          1HD       ARG 121   1.517  -2.709  22.254
  962   2HD   ARG 121          2HD       ARG 121   2.877  -1.651  22.601
  963    HE   ARG 121           HE       ARG 121   1.651   0.180  22.000
  964   1HH1  ARG 121          1HH2      ARG 121  -0.162  -2.681  20.902
  965   2HH1  ARG 121          2HH2      ARG 121  -1.612  -1.803  20.558
  966   1HH2  ARG 121          1HH1      ARG 121  -0.313   1.298  21.732
  967   2HH2  ARG 121          2HH1      ARG 121  -1.740   0.478  21.228
  968    H    GLU 122           H        GLU 122   7.035  -1.301  19.369
  969    HA   GLU 122           HA       GLU 122   7.307   1.247  18.148
  970   1HB   GLU 122          1HB       GLU 122   8.740   0.321  19.952
  971   2HB   GLU 122          2HB       GLU 122   9.439  -0.833  18.806
  972   1HG   GLU 122          1HG       GLU 122  10.360   1.033  17.468
  973   2HG   GLU 122          2HG       GLU 122   9.571   2.205  18.528
  974    H    THR 123           H        THR 123   7.794  -2.074  16.826
  975    HA   THR 123           HA       THR 123   9.093  -1.184  14.400
  976    HB   THR 123           HB       THR 123   7.407  -3.693  14.758
  977    HG1  THR 123           1HG      THR 123  10.038  -3.171  15.671
  978   1HG2  THR 123          1HG2      THR 123   8.262  -3.210  12.479
  979   2HG2  THR 123          2HG2      THR 123   9.918  -3.140  13.118
  980   3HG2  THR 123          3HG2      THR 123   8.994  -4.659  13.169
  981    H    PHE 124           H        PHE 124   5.669  -1.900  15.348
  982    HA   PHE 124           HA       PHE 124   4.560  -1.315  12.778
  983   1HB   PHE 124          1HB       PHE 124   3.448  -1.364  15.595
  984   2HB   PHE 124          2HB       PHE 124   2.486  -0.765  14.259
  985    HD1  PHE 124           HD1      PHE 124   4.147  -3.816  15.609
  986    HD2  PHE 124           HD2      PHE 124   1.567  -2.181  12.559
  987    HE1  PHE 124           HE1      PHE 124   3.384  -6.097  15.024
  988    HE2  PHE 124           HE2      PHE 124   0.805  -4.478  11.992
  989    HZ   PHE 124           HZ       PHE 124   1.676  -6.419  13.245
  990    H    ALA 125           H        ALA 125   5.328   0.833  15.582
  991    HA   ALA 125           HA       ALA 125   4.159   3.162  14.435
  992   1HB   ALA 125          1HB       ALA 125   6.495   2.947  16.386
  993   2HB   ALA 125          2HB       ALA 125   5.512   4.388  16.075
  994   3HB   ALA 125          3HB       ALA 125   4.771   2.960  16.823
  995    H    ALA 126           H        ALA 126   7.522   1.859  14.219
  996    HA   ALA 126           HA       ALA 126   8.591   3.987  12.654
  997   1HB   ALA 126          1HB       ALA 126  10.343   2.356  12.057
  998   2HB   ALA 126          2HB       ALA 126   9.981   2.290  13.792
  999   3HB   ALA 126          3HB       ALA 126   9.359   1.029  12.704
 1000    H    VAL 127           H        VAL 127   7.094   0.854  11.646
 1001    HA   VAL 127           HA       VAL 127   7.269   1.343   8.855
 1002    HB   VAL 127           HB       VAL 127   5.452  -0.393  10.565
 1003   1HG1  VAL 127          1HG1      VAL 127   4.764  -1.577   8.540
 1004   2HG1  VAL 127          2HG1      VAL 127   4.217   0.086   8.471
 1005   3HG1  VAL 127          3HG1      VAL 127   5.642  -0.412   7.523
 1006   1HG2  VAL 127          1HG2      VAL 127   7.881  -1.004  10.449
 1007   2HG2  VAL 127          2HG2      VAL 127   6.868  -2.212   9.656
 1008   3HG2  VAL 127          3HG2      VAL 127   7.774  -1.043   8.680
 1009    H    TYR 128           H        TYR 128   4.563   2.113  11.189
 1010    HA   TYR 128           HA       TYR 128   2.852   3.227   9.262
 1011   1HB   TYR 128          1HB       TYR 128   2.240   2.726  11.618
 1012   2HB   TYR 128          2HB       TYR 128   3.189   4.106  12.159
 1013    HD1  TYR 128           HD1      TYR 128  -0.013   2.991  10.868
 1014    HD2  TYR 128           HD2      TYR 128   2.505   6.469  11.322
 1015    HE1  TYR 128           HE1      TYR 128  -1.951   4.463  10.407
 1016    HE2  TYR 128           HE2      TYR 128   0.608   7.931  10.782
 1017    HH   TYR 128           HH       TYR 128  -1.692   8.036  10.324
 1018    H    THR 129           H        THR 129   5.539   4.803  11.104
 1019    HA   THR 129           HA       THR 129   5.047   7.423  10.100
 1020    HB   THR 129           HB       THR 129   7.688   6.168  10.975
 1021    HG1  THR 129           1HG      THR 129   6.177   5.897  12.589
 1022   1HG2  THR 129          1HG2      THR 129   8.011   8.382   9.945
 1023   2HG2  THR 129          2HG2      THR 129   6.736   9.070  10.974
 1024   3HG2  THR 129          3HG2      THR 129   8.252   8.478  11.695
 1025    H    LEU 130           H        LEU 130   7.087   4.736   8.809
 1026    HA   LEU 130           HA       LEU 130   8.110   6.285   6.628
 1027   1HB   LEU 130          1HB       LEU 130   9.170   4.298   7.615
 1028   2HB   LEU 130          2HB       LEU 130   7.867   3.274   7.021
 1029    HG   LEU 130           HG       LEU 130   8.572   3.496   4.758
 1030   1HD1  LEU 130          1HD1      LEU 130  10.514   5.663   5.690
 1031   2HD1  LEU 130          2HD1      LEU 130  10.518   4.925   4.072
 1032   3HD1  LEU 130          3HD1      LEU 130   9.131   5.884   4.579
 1033   1HD2  LEU 130          1HD2      LEU 130  11.100   3.336   6.453
 1034   2HD2  LEU 130          2HD2      LEU 130   9.926   2.030   6.277
 1035   3HD2  LEU 130          3HD2      LEU 130  10.827   2.600   4.857
 1036    H    LEU 131           H        LEU 131   5.244   4.136   6.947
 1037    HA   LEU 131           HA       LEU 131   4.370   4.387   4.227
 1038   1HB   LEU 131          1HB       LEU 131   3.107   3.581   6.847
 1039   2HB   LEU 131          2HB       LEU 131   2.039   4.097   5.550
 1040    HG   LEU 131           HG       LEU 131   3.005   2.449   4.014
 1041   1HD1  LEU 131          1HD1      LEU 131   4.517   1.396   6.427
 1042   2HD1  LEU 131          2HD1      LEU 131   4.392   0.605   4.849
 1043   3HD1  LEU 131          3HD1      LEU 131   5.248   2.148   4.997
 1044   1HD2  LEU 131          1HD2      LEU 131   1.995   1.297   6.652
 1045   2HD2  LEU 131          2HD2      LEU 131   1.000   1.914   5.312
 1046   3HD2  LEU 131          3HD2      LEU 131   1.979   0.461   5.085
 1047    H    GLU 132           H        GLU 132   3.774   6.427   7.157
 1048    HA   GLU 132           HA       GLU 132   1.914   8.155   5.872
 1049   1HB   GLU 132          1HB       GLU 132   2.198   7.993   8.317
 1050   2HB   GLU 132          2HB       GLU 132   3.800   8.738   8.191
 1051   1HG   GLU 132          1HG       GLU 132   2.769  10.794   7.253
 1052   2HG   GLU 132          2HG       GLU 132   1.179  10.030   7.315
 1053    H    ARG 133           H        ARG 133   5.524   8.431   6.250
 1054    HA   ARG 133           HA       ARG 133   5.827  10.834   4.763
 1055   1HB   ARG 133          1HB       ARG 133   7.623   8.360   4.892
 1056   2HB   ARG 133          2HB       ARG 133   8.059   9.850   4.048
 1057   1HG   ARG 133          1HG       ARG 133   7.849  11.123   6.165
 1058   2HG   ARG 133          2HG       ARG 133   7.435   9.623   7.006
 1059   1HD   ARG 133          1HD       ARG 133   9.788  10.131   7.366
 1060   2HD   ARG 133          2HD       ARG 133   9.635   8.662   6.409
 1061    HE   ARG 133           HE       ARG 133  10.364  11.383   5.386
 1062   1HH1  ARG 133          1HH2      ARG 133  10.630   7.852   5.024
 1063   2HH1  ARG 133          2HH2      ARG 133  11.746   7.936   3.696
 1064   1HH2  ARG 133          1HH1      ARG 133  11.866  11.472   3.647
 1065   2HH2  ARG 133          2HH1      ARG 133  12.439  10.011   2.901
 1066    H    SER 134           H        SER 134   5.763   7.465   3.590
 1067    HA   SER 134           HA       SER 134   6.160   8.063   0.855
 1068   1HB   SER 134          1HB       SER 134   4.615   5.730   2.067
 1069   2HB   SER 134          2HB       SER 134   5.301   5.809   0.437
 1070    HG   SER 134           HG       SER 134   6.656   5.738   2.941
 1071    H    ALA 135           H        ALA 135   3.066   7.586   2.679
 1072    HA   ALA 135           HA       ALA 135   1.372   8.064   0.456
 1073   1HB   ALA 135          1HB       ALA 135   0.833   8.519   3.425
 1074   2HB   ALA 135          2HB       ALA 135  -0.389   8.363   2.141
 1075   3HB   ALA 135          3HB       ALA 135   0.635   6.975   2.566
 1076    H    ARG 136           H        ARG 136   2.866  10.346   2.818
 1077    HA   ARG 136           HA       ARG 136   1.316  12.609   1.912
 1078   1HB   ARG 136          1HB       ARG 136   2.570  12.322   4.118
 1079   2HB   ARG 136          2HB       ARG 136   4.068  12.636   3.238
 1080   1HG   ARG 136          1HG       ARG 136   3.259  14.878   2.612
 1081   2HG   ARG 136          2HG       ARG 136   1.665  14.523   3.305
 1082   1HD   ARG 136          1HD       ARG 136   2.792  14.180   5.551
 1083   2HD   ARG 136          2HD       ARG 136   4.304  14.711   4.815
 1084    HE   ARG 136           HE       ARG 136   3.565  16.894   4.763
 1085   1HH1  ARG 136          1HH2      ARG 136   0.821  14.816   5.718
 1086   2HH1  ARG 136          2HH2      ARG 136  -0.090  16.123   6.387
 1087   1HH2  ARG 136          1HH1      ARG 136   2.293  18.620   5.574
 1088   2HH2  ARG 136          2HH1      ARG 136   0.736  18.329   6.245
 1089    H    GLN 137           H        GLN 137   4.489  11.198   0.940
 1090    HA   GLN 137           HA       GLN 137   5.088  13.277  -0.930
 1091   1HB   GLN 137          1HB       GLN 137   6.052  10.412  -0.648
 1092   2HB   GLN 137          2HB       GLN 137   6.673  11.550  -1.860
 1093   1HG   GLN 137          1HG       GLN 137   7.446  13.089  -0.203
 1094   2HG   GLN 137          2HG       GLN 137   6.684  12.215   1.114
 1095   1HE2  GLN 137          2HE2      GLN 137   9.598  12.940   0.327
 1096   2HE2  GLN 137          1HE2      GLN 137  10.448  11.442   0.644
 1097    H    TRP 138           H        TRP 138   3.338  10.119  -1.268
 1098    HA   TRP 138           HA       TRP 138   2.720  10.454  -4.016
 1099   1HB   TRP 138          1HB       TRP 138   1.398   8.945  -1.756
 1100   2HB   TRP 138          2HB       TRP 138   0.562   9.139  -3.292
 1101    HD1  TRP 138           HD1      TRP 138   3.500   7.283  -1.760
 1102    HE1  TRP 138           HE1      TRP 138   4.635   5.802  -3.447
 1103    HE3  TRP 138           HE3      TRP 138   0.797   8.651  -5.883
 1104    HZ2  TRP 138           HZ2      TRP 138   4.425   5.264  -6.323
 1105    HZ3  TRP 138           HZ3      TRP 138   1.284   7.622  -8.088
 1106    HH2  TRP 138           HH2      TRP 138   3.100   5.953  -8.320
 1107    H    ALA 139           H        ALA 139   0.947  11.687  -1.089
 1108    HA   ALA 139           HA       ALA 139  -1.076  12.986  -2.552
 1109   1HB   ALA 139          1HB       ALA 139  -1.455  14.286  -0.540
 1110   2HB   ALA 139          2HB       ALA 139  -1.065  12.611  -0.093
 1111   3HB   ALA 139          3HB       ALA 139   0.152  13.891   0.084
 1112    H    GLN 140           H        GLN 140   2.179  14.190  -1.633
 1113    HA   GLN 140           HA       GLN 140   1.911  16.829  -2.566
 1114   1HB   GLN 140          1HB       GLN 140   3.728  16.117  -1.137
 1115   2HB   GLN 140          2HB       GLN 140   4.301  14.966  -2.334
 1116   1HG   GLN 140          1HG       GLN 140   5.793  16.821  -2.247
 1117   2HG   GLN 140          2HG       GLN 140   5.013  16.784  -3.819
 1118   1HE2  GLN 140          2HE2      GLN 140   3.235  18.396  -4.239
 1119   2HE2  GLN 140          1HE2      GLN 140   3.284  19.919  -3.368
 1120    H    ALA 141           H        ALA 141   2.724  13.824  -4.384
 1121    HA   ALA 141           HA       ALA 141   3.178  15.275  -6.865
 1122   1HB   ALA 141          1HB       ALA 141   2.667  12.315  -6.341
 1123   2HB   ALA 141          2HB       ALA 141   3.252  13.037  -7.856
 1124   3HB   ALA 141          3HB       ALA 141   4.256  13.116  -6.393
 1125    H    LEU 142           H        LEU 142   0.510  13.287  -5.534
 1126    HA   LEU 142           HA       LEU 142  -1.314  13.491  -7.676
 1127   1HB   LEU 142          1HB       LEU 142  -1.691  13.208  -4.680
 1128   2HB   LEU 142          2HB       LEU 142  -3.046  13.127  -5.790
 1129    HG   LEU 142           HG       LEU 142  -0.656  11.251  -6.045
 1130   1HD1  LEU 142          1HD1      LEU 142  -2.028   9.568  -4.854
 1131   2HD1  LEU 142          2HD1      LEU 142  -1.625  10.939  -3.811
 1132   3HD1  LEU 142          3HD1      LEU 142  -3.251  10.813  -4.506
 1133   1HD2  LEU 142          1HD2      LEU 142  -2.304   9.842  -7.254
 1134   2HD2  LEU 142          2HD2      LEU 142  -3.513  11.129  -7.080
 1135   3HD2  LEU 142          3HD2      LEU 142  -2.051  11.396  -8.054
 1136    H    ASN 143           H        ASN 143  -0.596  15.855  -5.134
 1137    HA   ASN 143           HA       ASN 143  -2.763  17.669  -5.722
 1138   1HB   ASN 143          1HB       ASN 143  -1.383  17.582  -3.593
 1139   2HB   ASN 143          2HB       ASN 143  -0.005  18.178  -4.536
 1140   1HD2  ASN 143          2HD2      ASN 143   0.314  20.335  -3.993
 1141   2HD2  ASN 143          1HD2      ASN 143  -0.957  21.512  -3.824
 1142    H    ALA 144           H        ALA 144   0.111  16.897  -7.465
 1143    HA   ALA 144           HA       ALA 144   0.343  19.574  -8.751
 1144   1HB   ALA 144          1HB       ALA 144   2.737  19.207  -8.754
 1145   2HB   ALA 144          2HB       ALA 144   2.140  19.017  -7.104
 1146   3HB   ALA 144          3HB       ALA 144   2.534  17.576  -8.066
 1147    H    GLU 145           H        GLU 145   2.343  18.439 -10.426
 1148    HA   GLU 145           HA       GLU 145   0.829  18.158 -12.769
 1149   1HB   GLU 145          1HB       GLU 145   3.704  17.284 -12.233
 1150   2HB   GLU 145          2HB       GLU 145   2.964  17.409 -13.837
 1151   1HG   GLU 145          1HG       GLU 145   2.537  19.831 -13.448
 1152   2HG   GLU 145          2HG       GLU 145   3.332  19.717 -11.876
 1153    H    GLN 146           H        GLN 146  -0.065  16.698 -13.901
 1154    HA   GLN 146           HA       GLN 146   0.311  13.879 -13.725
 1155   1HB   GLN 146          1HB       GLN 146  -1.917  13.330 -12.845
 1156   2HB   GLN 146          2HB       GLN 146  -1.015  14.249 -11.652
 1157   1HG   GLN 146          1HG       GLN 146  -2.285  16.343 -12.579
 1158   2HG   GLN 146          2HG       GLN 146  -3.348  15.177 -13.370
 1159   1HE2  GLN 146          2HE2      GLN 146  -2.035  16.265 -10.237
 1160   2HE2  GLN 146          1HE2      GLN 146  -3.285  15.595  -9.216
 1161    H    VAL 147           H        VAL 147  -1.711  12.974 -14.983
 1162    HA   VAL 147           HA       VAL 147  -2.272  14.562 -17.395
 1163    HB   VAL 147           HB       VAL 147  -1.353  12.620 -18.759
 1164   1HG1  VAL 147          1HG1      VAL 147  -0.200  14.821 -18.575
 1165   2HG1  VAL 147          2HG1      VAL 147   0.738  14.202 -17.197
 1166   3HG1  VAL 147          3HG1      VAL 147   0.924  13.474 -18.804
 1167   1HG2  VAL 147          1HG2      VAL 147   0.425  11.225 -17.821
 1168   2HG2  VAL 147          2HG2      VAL 147   0.224  11.958 -16.218
 1169   3HG2  VAL 147          3HG2      VAL 147  -1.068  10.954 -16.914
  Start of MODEL   18
    1    H    MET   1           H        MET   1  -4.885  12.337 -13.914
    2    HA   MET   1           HA       MET   1  -4.273  11.132 -11.929
    3   1HB   MET   1          1HB       MET   1  -6.395  12.775 -12.179
    4   2HB   MET   1          2HB       MET   1  -7.282  11.318 -11.749
    5   1HG   MET   1          1HG       MET   1  -5.035  12.639 -10.171
    6   2HG   MET   1          2HG       MET   1  -6.755  12.751  -9.826
    7   1HE   MET   1          1HE       MET   1  -6.501  12.119  -7.278
    8   2HE   MET   1          2HE       MET   1  -5.377  10.857  -6.738
    9   3HE   MET   1          3HE       MET   1  -4.763  12.252  -7.641
   10    H    PHE   2           H        PHE   2  -4.086   9.084 -10.990
   11    HA   PHE   2           HA       PHE   2  -4.793   6.818 -12.496
   12   1HB   PHE   2          1HB       PHE   2  -4.273   6.856  -9.511
   13   2HB   PHE   2          2HB       PHE   2  -4.017   5.518 -10.616
   14    HD1  PHE   2           HD1      PHE   2  -2.477   6.718 -12.856
   15    HD2  PHE   2           HD2      PHE   2  -2.207   7.443  -8.606
   16    HE1  PHE   2           HE1      PHE   2  -0.110   7.397 -13.113
   17    HE2  PHE   2           HE2      PHE   2   0.149   8.139  -8.876
   18    HZ   PHE   2           HZ       PHE   2   1.213   8.110 -11.129
   19    H    ASN   3           H        ASN   3  -6.464   8.337  -9.788
   20    HA   ASN   3           HA       ASN   3  -8.425   8.188  -8.801
   21   1HB   ASN   3          1HB       ASN   3  -9.377   8.595 -10.984
   22   2HB   ASN   3          2HB       ASN   3  -9.371   6.867 -11.353
   23   1HD2  ASN   3          2HD2      ASN   3 -10.786   9.310  -9.095
   24   2HD2  ASN   3          1HD2      ASN   3 -12.189   8.356  -8.709
   25    H    ASN   4           H        ASN   4  -7.681   4.953 -10.217
   26    HA   ASN   4           HA       ASN   4  -8.939   3.713  -7.797
   27   1HB   ASN   4          1HB       ASN   4 -10.271   3.552  -9.951
   28   2HB   ASN   4          2HB       ASN   4  -8.917   2.666 -10.662
   29   1HD2  ASN   4          2HD2      ASN   4 -10.071   0.653 -10.918
   30   2HD2  ASN   4          1HD2      ASN   4 -10.559  -0.280  -9.533
   31    H    ILE   5           H        ILE   5  -7.332   2.838  -6.588
   32    HA   ILE   5           HA       ILE   5  -4.856   1.849  -7.962
   33    HB   ILE   5           HB       ILE   5  -5.184   3.521  -5.442
   34   1HG1  ILE   5          1HG1      ILE   5  -4.043   4.337  -8.152
   35   2HG1  ILE   5          2HG1      ILE   5  -5.586   4.857  -7.484
   36   1HG2  ILE   5          1HG2      ILE   5  -2.739   3.703  -5.325
   37   2HG2  ILE   5          2HG2      ILE   5  -3.219   2.037  -5.213
   38   3HG2  ILE   5          3HG2      ILE   5  -2.578   2.652  -6.752
   39   1HD1  ILE   5          1HD1      ILE   5  -2.852   5.633  -6.467
   40   2HD1  ILE   5          2HD1      ILE   5  -4.132   6.654  -7.134
   41   3HD1  ILE   5          3HD1      ILE   5  -4.364   5.886  -5.554
   42    H    LEU   6           H        LEU   6  -3.728   0.163  -6.891
   43    HA   LEU   6           HA       LEU   6  -5.185  -1.189  -4.645
   44   1HB   LEU   6          1HB       LEU   6  -4.859  -2.218  -7.206
   45   2HB   LEU   6          2HB       LEU   6  -3.438  -2.842  -6.388
   46    HG   LEU   6           HG       LEU   6  -6.359  -3.303  -5.697
   47   1HD1  LEU   6          1HD1      LEU   6  -5.356  -4.600  -7.604
   48   2HD1  LEU   6          2HD1      LEU   6  -4.118  -5.220  -6.504
   49   3HD1  LEU   6          3HD1      LEU   6  -5.828  -5.636  -6.247
   50   1HD2  LEU   6          1HD2      LEU   6  -3.936  -4.285  -4.147
   51   2HD2  LEU   6          2HD2      LEU   6  -5.227  -3.222  -3.560
   52   3HD2  LEU   6          3HD2      LEU   6  -5.599  -4.887  -3.960
   53    H    VAL   7           H        VAL   7  -3.817  -1.849  -2.940
   54    HA   VAL   7           HA       VAL   7  -0.882  -1.477  -3.305
   55    HB   VAL   7           HB       VAL   7  -2.466  -1.228  -0.719
   56   1HG1  VAL   7          1HG1      VAL   7  -0.116  -1.982  -0.433
   57   2HG1  VAL   7          2HG1      VAL   7   0.450  -0.607  -1.403
   58   3HG1  VAL   7          3HG1      VAL   7  -0.343  -0.344   0.164
   59   1HG2  VAL   7          1HG2      VAL   7  -1.282   0.979  -2.472
   60   2HG2  VAL   7          2HG2      VAL   7  -3.003   0.705  -2.137
   61   3HG2  VAL   7          3HG2      VAL   7  -1.930   1.202  -0.829
   62    H    VAL   8           H        VAL   8   0.353  -3.279  -2.917
   63    HA   VAL   8           HA       VAL   8  -1.082  -5.729  -1.999
   64    HB   VAL   8           HB       VAL   8   0.825  -5.499  -4.360
   65   1HG1  VAL   8          1HG1      VAL   8   0.030  -7.777  -4.885
   66   2HG1  VAL   8          2HG1      VAL   8   0.763  -7.743  -3.282
   67   3HG1  VAL   8          3HG1      VAL   8  -1.012  -7.765  -3.457
   68   1HG2  VAL   8          1HG2      VAL   8  -1.270  -4.354  -4.971
   69   2HG2  VAL   8          2HG2      VAL   8  -1.131  -5.889  -5.822
   70   3HG2  VAL   8          3HG2      VAL   8  -2.208  -5.755  -4.414
   71    H    CYS   9           H        CYS   9   0.041  -6.768  -0.372
   72    HA   CYS   9           HA       CYS   9   3.013  -6.370  -0.240
   73   1HB   CYS   9          1HB       CYS   9   1.099  -6.292   2.138
   74   2HB   CYS   9          2HB       CYS   9   2.862  -6.069   2.170
   75    HG   CYS   9           HG       CYS   9   0.438  -4.222   0.997
   76    H    VAL  10           H        VAL  10   3.927  -8.019   1.556
   77    HA   VAL  10           HA       VAL  10   2.815 -10.672   0.869
   78    HB   VAL  10           HB       VAL  10   5.175 -10.508   0.980
   79   1HG1  VAL  10          1HG1      VAL  10   6.463 -10.081   3.013
   80   2HG1  VAL  10          2HG1      VAL  10   5.528  -8.668   2.538
   81   3HG1  VAL  10          3HG1      VAL  10   4.986  -9.682   3.905
   82   1HG2  VAL  10          1HG2      VAL  10   4.208 -12.117   3.368
   83   2HG2  VAL  10          2HG2      VAL  10   4.136 -12.631   1.667
   84   3HG2  VAL  10          3HG2      VAL  10   5.704 -12.364   2.445
   85    H    GLY  11           H        GLY  11   2.917  -8.433   3.684
   86   1HA   GLY  11          1HA       GLY  11   0.954 -10.159   5.116
   87   2HA   GLY  11          2HA       GLY  11   1.971  -8.887   5.832
   88    H    ASN  12           H        ASN  12  -0.385  -9.243   3.184
   89    HA   ASN  12           HA       ASN  12  -1.567  -6.922   2.846
   90   1HB   ASN  12          1HB       ASN  12  -2.288  -9.068   1.879
   91   2HB   ASN  12          2HB       ASN  12  -3.078  -9.510   3.388
   92   1HD2  ASN  12          2HD2      ASN  12  -4.042  -6.334   3.301
   93   2HD2  ASN  12          1HD2      ASN  12  -5.461  -6.580   2.300
   94    H    ILE  13           H        ILE  13  -2.287  -8.858   5.824
   95    HA   ILE  13           HA       ILE  13  -4.454  -7.287   6.668
   96    HB   ILE  13           HB       ILE  13  -4.149  -8.344   8.855
   97   1HG1  ILE  13          1HG1      ILE  13  -1.536  -9.503   7.777
   98   2HG1  ILE  13          2HG1      ILE  13  -1.657  -8.216   8.977
   99   1HG2  ILE  13          1HG2      ILE  13  -5.238  -9.542   6.985
  100   2HG2  ILE  13          2HG2      ILE  13  -3.693 -10.338   6.588
  101   3HG2  ILE  13          3HG2      ILE  13  -4.498 -10.627   8.143
  102   1HD1  ILE  13          1HD1      ILE  13  -2.942  -9.795  10.470
  103   2HD1  ILE  13          2HD1      ILE  13  -2.567 -11.097   9.313
  104   3HD1  ILE  13          3HD1      ILE  13  -1.258 -10.254  10.157
  105    H    CYS  14           H        CYS  14  -1.346  -6.009   6.447
  106    HA   CYS  14           HA       CYS  14  -2.000  -3.985   8.526
  107   1HB   CYS  14          1HB       CYS  14   0.310  -4.116   9.445
  108   2HB   CYS  14          2HB       CYS  14  -0.736  -5.493   9.828
  109    HG   CYS  14           HG       CYS  14   0.211  -6.981   7.765
  110    H    ARG  15           H        ARG  15   0.431  -4.883   5.955
  111    HA   ARG  15           HA       ARG  15   1.398  -2.142   5.945
  112   1HB   ARG  15          1HB       ARG  15   1.869  -4.523   4.116
  113   2HB   ARG  15          2HB       ARG  15   2.713  -2.971   3.935
  114   1HG   ARG  15          1HG       ARG  15   3.788  -3.207   6.094
  115   2HG   ARG  15          2HG       ARG  15   2.744  -4.553   6.529
  116   1HD   ARG  15          1HD       ARG  15   4.551  -5.757   5.996
  117   2HD   ARG  15          2HD       ARG  15   3.791  -5.737   4.414
  118    HE   ARG  15           HE       ARG  15   5.680  -3.539   4.831
  119   1HH1  ARG  15          1HH2      ARG  15   5.881  -7.062   4.518
  120   2HH1  ARG  15          2HH2      ARG  15   7.127  -6.979   3.285
  121   1HH2  ARG  15          1HH1      ARG  15   7.786  -3.662   3.677
  122   2HH2  ARG  15          2HH1      ARG  15   8.187  -5.191   2.947
  123    H    SER  16           H        SER  16  -0.526  -4.077   3.556
  124    HA   SER  16           HA       SER  16  -1.005  -2.020   1.790
  125   1HB   SER  16          1HB       SER  16  -3.026  -4.178   2.417
  126   2HB   SER  16          2HB       SER  16  -2.741  -3.341   0.880
  127    HG   SER  16           HG       SER  16  -1.770  -5.374   0.830
  128    HA   PRO  17           HA       PRO  17  -5.042  -0.699   3.901
  129   1HB   PRO  17          1HB       PRO  17  -5.484  -1.126   6.603
  130   2HB   PRO  17          2HB       PRO  17  -6.076  -2.152   5.277
  131   1HG   PRO  17          1HG       PRO  17  -3.596  -2.524   6.970
  132   2HG   PRO  17          2HG       PRO  17  -4.817  -3.755   6.513
  133   1HD   PRO  17          1HD       PRO  17  -2.501  -3.566   5.155
  134   2HD   PRO  17          2HD       PRO  17  -4.037  -3.837   4.283
  135    H    THR  18           H        THR  18  -2.014  -0.581   5.820
  136    HA   THR  18           HA       THR  18  -2.644   1.928   7.115
  137    HB   THR  18           HB       THR  18   0.054   0.637   6.519
  138    HG1  THR  18           1HG      THR  18  -0.996  -0.733   7.815
  139   1HG2  THR  18          1HG2      THR  18  -0.795   2.840   8.453
  140   2HG2  THR  18          2HG2      THR  18   0.764   1.984   8.536
  141   3HG2  THR  18          3HG2      THR  18   0.372   2.979   7.125
  142    H    ALA  19           H        ALA  19  -0.837   1.042   4.100
  143    HA   ALA  19           HA       ALA  19  -0.387   3.744   3.250
  144   1HB   ALA  19          1HB       ALA  19   0.877   2.059   2.177
  145   2HB   ALA  19          2HB       ALA  19  -0.562   1.061   1.848
  146   3HB   ALA  19          3HB       ALA  19  -0.318   2.570   0.956
  147    H    GLU  20           H        GLU  20  -3.022   1.384   2.519
  148    HA   GLU  20           HA       GLU  20  -4.483   2.848   0.680
  149   1HB   GLU  20          1HB       GLU  20  -4.952   0.515   1.412
  150   2HB   GLU  20          2HB       GLU  20  -5.513   1.131   2.971
  151   1HG   GLU  20          1HG       GLU  20  -7.326   2.396   1.738
  152   2HG   GLU  20          2HG       GLU  20  -6.819   1.522   0.289
  153    H    ARG  21           H        ARG  21  -4.917   2.931   4.271
  154    HA   ARG  21           HA       ARG  21  -6.921   4.987   4.015
  155   1HB   ARG  21          1HB       ARG  21  -5.401   3.951   6.451
  156   2HB   ARG  21          2HB       ARG  21  -6.799   5.017   6.504
  157   1HG   ARG  21          1HG       ARG  21  -6.800   2.208   5.362
  158   2HG   ARG  21          2HG       ARG  21  -7.393   2.661   6.949
  159   1HD   ARG  21          1HD       ARG  21  -9.295   3.769   6.074
  160   2HD   ARG  21          2HD       ARG  21  -8.596   3.935   4.465
  161    HE   ARG  21           HE       ARG  21  -8.987   1.719   3.935
  162   1HH1  ARG  21          1HH1      ARG  21 -10.048   2.251   7.310
  163   2HH1  ARG  21          2HH1      ARG  21 -10.880   0.732   7.387
  164   1HH2  ARG  21          1HH2      ARG  21  -9.978  -0.117   4.011
  165   2HH2  ARG  21          2HH2      ARG  21 -10.990  -0.637   5.356
  166    H    LEU  22           H        LEU  22  -3.415   5.130   4.664
  167    HA   LEU  22           HA       LEU  22  -3.395   7.917   5.338
  168   1HB   LEU  22          1HB       LEU  22  -1.381   5.994   4.135
  169   2HB   LEU  22          2HB       LEU  22  -0.999   7.703   4.281
  170    HG   LEU  22           HG       LEU  22  -1.944   6.099   6.697
  171   1HD1  LEU  22          1HD1      LEU  22   0.861   6.469   5.609
  172   2HD1  LEU  22          2HD1      LEU  22   0.507   5.932   7.272
  173   3HD1  LEU  22          3HD1      LEU  22   0.014   4.954   5.881
  174   1HD2  LEU  22          1HD2      LEU  22  -2.079   8.508   7.005
  175   2HD2  LEU  22          2HD2      LEU  22  -0.670   7.923   7.887
  176   3HD2  LEU  22          3HD2      LEU  22  -0.455   8.741   6.329
  177    H    LEU  23           H        LEU  23  -3.296   6.208   2.166
  178    HA   LEU  23           HA       LEU  23  -3.110   8.650   0.644
  179   1HB   LEU  23          1HB       LEU  23  -3.972   5.820  -0.028
  180   2HB   LEU  23          2HB       LEU  23  -4.033   7.122  -1.215
  181    HG   LEU  23           HG       LEU  23  -1.466   6.454   0.272
  182   1HD1  LEU  23          1HD1      LEU  23  -0.839   5.220  -1.852
  183   2HD1  LEU  23          2HD1      LEU  23  -2.036   4.411  -0.829
  184   3HD1  LEU  23          3HD1      LEU  23  -2.547   5.265  -2.314
  185   1HD2  LEU  23          1HD2      LEU  23  -0.401   7.559  -1.667
  186   2HD2  LEU  23          2HD2      LEU  23  -1.997   7.893  -2.369
  187   3HD2  LEU  23          3HD2      LEU  23  -1.504   8.664  -0.848
  188    H    GLN  24           H        GLN  24  -5.955   6.694   1.788
  189    HA   GLN  24           HA       GLN  24  -7.912   8.327   0.525
  190   1HB   GLN  24          1HB       GLN  24  -8.055   6.838   3.187
  191   2HB   GLN  24          2HB       GLN  24  -9.415   7.630   2.424
  192   1HG   GLN  24          1HG       GLN  24  -7.917   5.215   1.360
  193   2HG   GLN  24          2HG       GLN  24  -9.542   5.264   2.023
  194   1HE2  GLN  24          2HE2      GLN  24 -10.781   7.381   0.684
  195   2HE2  GLN  24          1HE2      GLN  24 -10.669   7.136  -1.061
  196    H    ARG  25           H        ARG  25  -6.249   8.745   3.725
  197    HA   ARG  25           HA       ARG  25  -7.723  11.050   4.439
  198   1HB   ARG  25          1HB       ARG  25  -6.503   9.819   6.091
  199   2HB   ARG  25          2HB       ARG  25  -4.958  10.090   5.279
  200   1HG   ARG  25          1HG       ARG  25  -4.872  12.366   5.877
  201   2HG   ARG  25          2HG       ARG  25  -6.595  12.457   6.254
  202   1HD   ARG  25          1HD       ARG  25  -4.690  10.716   7.863
  203   2HD   ARG  25          2HD       ARG  25  -4.943  12.436   8.220
  204    HE   ARG  25           HE       ARG  25  -7.492  11.336   8.034
  205   1HH1  ARG  25          1HH2      ARG  25  -4.689  10.917  10.178
  206   2HH1  ARG  25          2HH2      ARG  25  -5.633  10.462  11.558
  207   1HH2  ARG  25          1HH1      ARG  25  -8.743  10.786   9.855
  208   2HH2  ARG  25          2HH1      ARG  25  -8.001  10.315  11.339
  209    H    TYR  26           H        TYR  26  -4.566  10.794   2.663
  210    HA   TYR  26           HA       TYR  26  -4.400  13.656   2.437
  211   1HB   TYR  26          1HB       TYR  26  -2.863  11.349   1.230
  212   2HB   TYR  26          2HB       TYR  26  -2.641  12.985   0.629
  213    HD1  TYR  26           HD1      TYR  26  -2.507  14.845   2.636
  214    HD2  TYR  26           HD2      TYR  26  -1.161  10.746   2.825
  215    HE1  TYR  26           HE1      TYR  26  -0.976  15.441   4.474
  216    HE2  TYR  26           HE2      TYR  26   0.447  11.360   4.614
  217    HH   TYR  26           HH       TYR  26   1.351  13.148   5.931
  218    H    HIS  27           H        HIS  27  -5.945  11.229   0.368
  219    HA   HIS  27           HA       HIS  27  -7.023  13.437  -1.306
  220   1HB   HIS  27          1HB       HIS  27  -5.505  10.999  -2.239
  221   2HB   HIS  27          2HB       HIS  27  -6.770  11.695  -3.240
  222    HD1  HIS  27           HD1      HIS  27  -6.363  14.346  -4.058
  223    HD2  HIS  27           HD2      HIS  27  -3.125  12.088  -2.545
  224    HE1  HIS  27           HE1      HIS  27  -4.238  15.530  -4.792
  225    HA   PRO  28           HA       PRO  28 -10.373  10.697   0.367
  226   1HB   PRO  28          1HB       PRO  28 -11.801  13.302  -0.176
  227   2HB   PRO  28          2HB       PRO  28 -12.035  12.151   1.177
  228   1HG   PRO  28          1HG       PRO  28 -10.623  14.431   1.561
  229   2HG   PRO  28          2HG       PRO  28 -10.023  12.883   2.242
  230   1HD   PRO  28          1HD       PRO  28  -9.133  14.290  -0.287
  231   2HD   PRO  28          2HD       PRO  28  -8.145  13.515   0.989
  232    H    GLU  29           H        GLU  29  -9.971  12.650  -2.534
  233    HA   GLU  29           HA       GLU  29 -12.231  11.696  -4.007
  234   1HB   GLU  29          1HB       GLU  29 -11.150  12.774  -5.887
  235   2HB   GLU  29          2HB       GLU  29 -10.974  13.788  -4.454
  236   1HG   GLU  29          1HG       GLU  29  -8.643  12.652  -4.173
  237   2HG   GLU  29          2HG       GLU  29  -8.854  12.088  -5.828
  238    H    LEU  30           H        LEU  30  -9.186  10.140  -3.199
  239    HA   LEU  30           HA       LEU  30  -9.079   8.500  -5.629
  240   1HB   LEU  30          1HB       LEU  30  -7.489   8.640  -3.040
  241   2HB   LEU  30          2HB       LEU  30  -7.377   7.220  -4.048
  242    HG   LEU  30           HG       LEU  30  -6.662  10.003  -4.989
  243   1HD1  LEU  30          1HD1      LEU  30  -5.114   9.075  -3.269
  244   2HD1  LEU  30          2HD1      LEU  30  -4.927   7.606  -4.224
  245   3HD1  LEU  30          3HD1      LEU  30  -4.343   9.160  -4.860
  246   1HD2  LEU  30          1HD2      LEU  30  -6.561   7.248  -6.310
  247   2HD2  LEU  30          2HD2      LEU  30  -7.338   8.734  -6.909
  248   3HD2  LEU  30          3HD2      LEU  30  -5.581   8.613  -6.873
  249    H    LYS  31           H        LYS  31  -9.264   6.282  -5.707
  250    HA   LYS  31           HA       LYS  31 -10.729   4.933  -3.467
  251   1HB   LYS  31          1HB       LYS  31 -12.077   4.992  -5.521
  252   2HB   LYS  31          2HB       LYS  31 -10.703   4.455  -6.484
  253   1HG   LYS  31          1HG       LYS  31 -12.288   2.650  -6.152
  254   2HG   LYS  31          2HG       LYS  31 -10.735   2.246  -5.425
  255   1HD   LYS  31          1HD       LYS  31 -11.570   2.581  -3.195
  256   2HD   LYS  31          2HD       LYS  31 -13.038   3.393  -3.791
  257   1HE   LYS  31          1HE       LYS  31 -13.822   1.335  -4.837
  258   2HE   LYS  31          2HE       LYS  31 -12.334   0.487  -4.402
  259   1HZ   LYS  31          1HZ       LYS  31 -12.927   0.562  -2.123
  260   2HZ   LYS  31          2HZ       LYS  31 -14.187   1.605  -2.380
  261   3HZ   LYS  31          3HZ       LYS  31 -14.262   0.068  -2.915
  262    H    VAL  32           H        VAL  32  -9.076   4.035  -2.313
  263    HA   VAL  32           HA       VAL  32  -7.010   2.525  -3.826
  264    HB   VAL  32           HB       VAL  32  -6.638   3.714  -1.054
  265   1HG1  VAL  32          1HG1      VAL  32  -4.235   3.296  -1.573
  266   2HG1  VAL  32          2HG1      VAL  32  -5.175   1.802  -1.589
  267   3HG1  VAL  32          3HG1      VAL  32  -4.700   2.565  -3.121
  268   1HG2  VAL  32          1HG2      VAL  32  -5.114   5.368  -2.233
  269   2HG2  VAL  32          2HG2      VAL  32  -5.861   4.883  -3.765
  270   3HG2  VAL  32          3HG2      VAL  32  -6.832   5.640  -2.485
  271    H    GLU  33           H        GLU  33  -6.725   0.434  -3.253
  272    HA   GLU  33           HA       GLU  33  -8.366  -0.708  -1.028
  273   1HB   GLU  33          1HB       GLU  33  -8.264  -1.431  -3.980
  274   2HB   GLU  33          2HB       GLU  33  -8.731  -2.622  -2.789
  275   1HG   GLU  33          1HG       GLU  33 -10.139   0.052  -3.207
  276   2HG   GLU  33          2HG       GLU  33 -10.685  -1.487  -3.837
  277    H    SER  34           H        SER  34  -7.644  -3.030  -0.660
  278    HA   SER  34           HA       SER  34  -4.671  -3.216  -0.855
  279   1HB   SER  34          1HB       SER  34  -6.633  -3.950   1.345
  280   2HB   SER  34          2HB       SER  34  -4.909  -4.340   1.365
  281    HG   SER  34           HG       SER  34  -6.173  -1.799   1.426
  282    H    ALA  35           H        ALA  35  -3.734  -5.262  -1.056
  283    HA   ALA  35           HA       ALA  35  -5.272  -7.718  -0.793
  284   1HB   ALA  35          1HB       ALA  35  -5.733  -7.163  -3.178
  285   2HB   ALA  35          2HB       ALA  35  -3.986  -7.012  -3.478
  286   3HB   ALA  35          3HB       ALA  35  -4.695  -8.582  -3.041
  287    H    GLY  36           H        GLY  36  -3.407  -9.572  -1.498
  288   1HA   GLY  36          1HA       GLY  36  -0.702  -8.534  -1.329
  289   2HA   GLY  36          2HA       GLY  36  -1.173  -9.443   0.094
  290    H    LEU  37           H        LEU  37   0.991 -10.141  -1.405
  291    HA   LEU  37           HA       LEU  37   0.388 -12.261  -3.322
  292   1HB   LEU  37          1HB       LEU  37   2.877 -11.345  -1.832
  293   2HB   LEU  37          2HB       LEU  37   2.888 -12.789  -2.835
  294    HG   LEU  37           HG       LEU  37   1.972 -10.116  -3.960
  295   1HD1  LEU  37          1HD1      LEU  37   4.254  -9.803  -4.844
  296   2HD1  LEU  37          2HD1      LEU  37   4.218  -9.759  -3.075
  297   3HD1  LEU  37          3HD1      LEU  37   4.814 -11.211  -3.907
  298   1HD2  LEU  37          1HD2      LEU  37   1.457 -12.187  -5.285
  299   2HD2  LEU  37          2HD2      LEU  37   2.591 -11.116  -6.112
  300   3HD2  LEU  37          3HD2      LEU  37   3.179 -12.582  -5.303
  301    H    GLY  38           H        GLY  38   1.405 -12.132   0.129
  302   1HA   GLY  38          1HA       GLY  38   0.713 -15.029   0.413
  303   2HA   GLY  38          2HA       GLY  38   1.848 -14.122   1.423
  304    H    ALA  39           H        ALA  39  -1.339 -12.983   0.310
  305    HA   ALA  39           HA       ALA  39  -2.022 -11.979   2.903
  306   1HB   ALA  39          1HB       ALA  39  -4.172 -11.415   1.814
  307   2HB   ALA  39          2HB       ALA  39  -2.837 -11.036   0.720
  308   3HB   ALA  39          3HB       ALA  39  -3.795 -12.509   0.476
  309    H    LEU  40           H        LEU  40  -4.121 -12.492   3.970
  310    HA   LEU  40           HA       LEU  40  -4.671 -15.436   4.096
  311   1HB   LEU  40          1HB       LEU  40  -4.636 -13.318   6.286
  312   2HB   LEU  40          2HB       LEU  40  -5.246 -14.959   6.497
  313    HG   LEU  40           HG       LEU  40  -2.369 -14.264   5.741
  314   1HD1  LEU  40          1HD1      LEU  40  -3.541 -15.117   8.418
  315   2HD1  LEU  40          2HD1      LEU  40  -1.813 -14.905   8.053
  316   3HD1  LEU  40          3HD1      LEU  40  -2.892 -13.509   8.005
  317   1HD2  LEU  40          1HD2      LEU  40  -1.899 -16.635   6.353
  318   2HD2  LEU  40          2HD2      LEU  40  -3.643 -16.923   6.528
  319   3HD2  LEU  40          3HD2      LEU  40  -2.948 -16.507   4.944
  320    H    VAL  41           H        VAL  41  -6.313 -15.341   2.575
  321    HA   VAL  41           HA       VAL  41  -8.073 -13.244   2.228
  322    HB   VAL  41           HB       VAL  41  -7.682 -14.923   0.577
  323   1HG1  VAL  41          1HG1      VAL  41  -7.548 -16.973   1.957
  324   2HG1  VAL  41          2HG1      VAL  41  -9.301 -16.901   2.228
  325   3HG1  VAL  41          3HG1      VAL  41  -8.659 -17.154   0.596
  326   1HG2  VAL  41          1HG2      VAL  41  -9.779 -13.604   0.456
  327   2HG2  VAL  41          2HG2      VAL  41  -9.919 -15.195  -0.308
  328   3HG2  VAL  41          3HG2      VAL  41 -10.638 -14.916   1.290
  329    H    GLY  42           H        GLY  42  -9.764 -12.411   3.211
  330   1HA   GLY  42          1HA       GLY  42 -11.792 -12.388   4.335
  331   2HA   GLY  42          2HA       GLY  42 -11.571 -14.069   4.831
  332    H    LYS  43           H        LYS  43  -8.640 -12.873   5.745
  333    HA   LYS  43           HA       LYS  43  -9.501 -12.592   8.514
  334   1HB   LYS  43          1HB       LYS  43  -7.339 -13.651   7.736
  335   2HB   LYS  43          2HB       LYS  43  -6.742 -12.030   7.338
  336   1HG   LYS  43          1HG       LYS  43  -6.892 -11.342   9.667
  337   2HG   LYS  43          2HG       LYS  43  -7.778 -12.815  10.099
  338   1HD   LYS  43          1HD       LYS  43  -5.798 -14.186   9.582
  339   2HD   LYS  43          2HD       LYS  43  -4.892 -12.723   9.134
  340   1HE   LYS  43          1HE       LYS  43  -5.165 -11.825  11.417
  341   2HE   LYS  43          2HE       LYS  43  -6.156 -13.215  11.869
  342   1HZ   LYS  43          1HZ       LYS  43  -3.890 -13.474  12.631
  343   2HZ   LYS  43          2HZ       LYS  43  -4.223 -14.637  11.545
  344   3HZ   LYS  43          3HZ       LYS  43  -3.289 -13.358  11.120
  345    H    GLY  44           H        GLY  44  -9.455 -10.688   9.791
  346   1HA   GLY  44          1HA       GLY  44 -10.011  -8.195   8.415
  347   2HA   GLY  44          2HA       GLY  44  -9.910  -8.457  10.160
  348    H    ALA  45           H        ALA  45  -8.838  -6.187   9.635
  349    HA   ALA  45           HA       ALA  45  -6.031  -6.284   8.851
  350   1HB   ALA  45          1HB       ALA  45  -5.959  -3.990   9.758
  351   2HB   ALA  45          2HB       ALA  45  -7.254  -4.189   8.570
  352   3HB   ALA  45          3HB       ALA  45  -7.642  -4.141  10.306
  353    H    ASP  46           H        ASP  46  -4.259  -5.939  10.342
  354    HA   ASP  46           HA       ASP  46  -4.408  -7.704  12.596
  355   1HB   ASP  46          1HB       ASP  46  -2.383  -7.399  11.207
  356   2HB   ASP  46          2HB       ASP  46  -2.206  -5.756  11.831
  357    HA   PRO  47           HA       PRO  47  -5.941  -4.753  15.622
  358   1HB   PRO  47          1HB       PRO  47  -4.258  -6.418  17.502
  359   2HB   PRO  47          2HB       PRO  47  -5.921  -5.790  17.735
  360   1HG   PRO  47          1HG       PRO  47  -5.536  -8.367  16.997
  361   2HG   PRO  47          2HG       PRO  47  -6.817  -7.393  16.203
  362   1HD   PRO  47          1HD       PRO  47  -4.060  -8.073  15.171
  363   2HD   PRO  47          2HD       PRO  47  -5.628  -8.043  14.306
  364    H    THR  48           H        THR  48  -2.437  -5.377  15.285
  365    HA   THR  48           HA       THR  48  -1.711  -3.205  17.098
  366    HB   THR  48           HB       THR  48   0.195  -4.335  15.072
  367    HG1  THR  48           1HG      THR  48  -0.773  -6.141  15.610
  368   1HG2  THR  48          1HG2      THR  48   1.733  -4.306  17.034
  369   2HG2  THR  48          2HG2      THR  48   1.007  -2.722  16.715
  370   3HG2  THR  48          3HG2      THR  48   0.401  -3.721  18.057
  371    H    ALA  49           H        ALA  49  -2.033  -3.748  13.555
  372    HA   ALA  49           HA       ALA  49  -1.094  -1.157  12.746
  373   1HB   ALA  49          1HB       ALA  49  -2.285  -1.699  10.643
  374   2HB   ALA  49          2HB       ALA  49  -1.319  -3.081  11.204
  375   3HB   ALA  49          3HB       ALA  49  -3.077  -3.081  11.436
  376    H    ILE  50           H        ILE  50  -4.337  -2.489  13.576
  377    HA   ILE  50           HA       ILE  50  -5.797  -0.080  13.197
  378    HB   ILE  50           HB       ILE  50  -6.255  -2.384  15.114
  379   1HG1  ILE  50          1HG1      ILE  50  -7.586  -1.825  12.419
  380   2HG1  ILE  50          2HG1      ILE  50  -6.239  -2.937  12.625
  381   1HG2  ILE  50          1HG2      ILE  50  -8.622  -1.631  15.256
  382   2HG2  ILE  50          2HG2      ILE  50  -7.534  -0.407  15.877
  383   3HG2  ILE  50          3HG2      ILE  50  -8.224  -0.219  14.253
  384   1HD1  ILE  50          1HD1      ILE  50  -7.617  -4.315  14.187
  385   2HD1  ILE  50          2HD1      ILE  50  -9.011  -3.270  13.825
  386   3HD1  ILE  50          3HD1      ILE  50  -8.262  -4.221  12.543
  387    H    SER  51           H        SER  51  -4.159  -1.334  16.181
  388    HA   SER  51           HA       SER  51  -4.967   0.843  17.797
  389   1HB   SER  51          1HB       SER  51  -2.518  -0.949  18.082
  390   2HB   SER  51          2HB       SER  51  -3.244   0.054  19.357
  391    HG   SER  51           HG       SER  51  -4.358  -2.195  18.022
  392    H    VAL  52           H        VAL  52  -1.993   0.460  15.778
  393    HA   VAL  52           HA       VAL  52  -0.883   2.989  16.608
  394    HB   VAL  52           HB       VAL  52  -0.412   1.140  14.246
  395   1HG1  VAL  52          1HG1      VAL  52   1.591   2.421  13.696
  396   2HG1  VAL  52          2HG1      VAL  52   0.163   3.421  13.468
  397   3HG1  VAL  52          3HG1      VAL  52   1.173   3.660  14.909
  398   1HG2  VAL  52          1HG2      VAL  52   1.178   1.877  16.759
  399   2HG2  VAL  52          2HG2      VAL  52   0.350   0.336  16.449
  400   3HG2  VAL  52          3HG2      VAL  52   1.757   0.802  15.487
  401    H    ALA  53           H        ALA  53  -3.129   2.081  13.893
  402    HA   ALA  53           HA       ALA  53  -3.099   4.738  12.793
  403   1HB   ALA  53          1HB       ALA  53  -3.812   2.723  11.544
  404   2HB   ALA  53          2HB       ALA  53  -5.215   2.567  12.634
  405   3HB   ALA  53          3HB       ALA  53  -5.068   3.974  11.553
  406    H    ALA  54           H        ALA  54  -5.087   3.170  15.335
  407    HA   ALA  54           HA       ALA  54  -6.926   5.307  15.674
  408   1HB   ALA  54          1HB       ALA  54  -7.265   3.029  16.591
  409   2HB   ALA  54          2HB       ALA  54  -5.903   3.272  17.712
  410   3HB   ALA  54          3HB       ALA  54  -7.370   4.260  17.866
  411    H    GLU  55           H        GLU  55  -3.594   4.832  16.980
  412    HA   GLU  55           HA       GLU  55  -3.601   7.028  18.745
  413   1HB   GLU  55          1HB       GLU  55  -1.826   5.206  18.339
  414   2HB   GLU  55          2HB       GLU  55  -1.214   6.242  17.040
  415   1HG   GLU  55          1HG       GLU  55  -0.889   8.085  18.682
  416   2HG   GLU  55          2HG       GLU  55  -1.495   7.035  19.968
  417    H    HIS  56           H        HIS  56  -3.702   6.994  15.258
  418    HA   HIS  56           HA       HIS  56  -3.345   9.949  15.128
  419   1HB   HIS  56          1HB       HIS  56  -3.085   7.842  12.949
  420   2HB   HIS  56          2HB       HIS  56  -2.851   9.579  12.742
  421    HD1  HIS  56           HD1      HIS  56  -0.687  10.616  14.294
  422    HD2  HIS  56           HD2      HIS  56  -0.951   6.467  13.629
  423    HE1  HIS  56           HE1      HIS  56   1.604   9.655  14.845
  424    H    GLN  57           H        GLN  57  -5.746   8.055  15.823
  425    HA   GLN  57           HA       GLN  57  -7.938   7.750  15.293
  426   1HB   GLN  57          1HB       GLN  57  -7.758  10.782  14.958
  427   2HB   GLN  57          2HB       GLN  57  -9.220   9.846  15.255
  428   1HG   GLN  57          1HG       GLN  57  -8.687  10.710  17.352
  429   2HG   GLN  57          2HG       GLN  57  -8.165   9.035  17.430
  430   1HE2  GLN  57          2HE2      GLN  57  -6.041   8.680  18.110
  431   2HE2  GLN  57          1HE2      GLN  57  -4.784   9.896  18.138
  432    H    LEU  58           H        LEU  58  -6.721   6.758  13.238
  433    HA   LEU  58           HA       LEU  58  -8.452   7.664  10.964
  434   1HB   LEU  58          1HB       LEU  58  -5.796   7.853  10.822
  435   2HB   LEU  58          2HB       LEU  58  -5.889   6.119  10.558
  436    HG   LEU  58           HG       LEU  58  -7.047   8.372   8.885
  437   1HD1  LEU  58          1HD1      LEU  58  -5.642   7.451   7.136
  438   2HD1  LEU  58          2HD1      LEU  58  -4.670   7.752   8.580
  439   3HD1  LEU  58          3HD1      LEU  58  -5.160   6.093   8.184
  440   1HD2  LEU  58          1HD2      LEU  58  -7.971   6.683   7.321
  441   2HD2  LEU  58          2HD2      LEU  58  -7.724   5.428   8.574
  442   3HD2  LEU  58          3HD2      LEU  58  -8.844   6.791   8.824
  443    H    SER  59           H        SER  59 -10.037   6.155  10.607
  444    HA   SER  59           HA       SER  59 -10.066   3.704  12.014
  445   1HB   SER  59          1HB       SER  59 -11.752   4.515   9.601
  446   2HB   SER  59          2HB       SER  59 -12.159   3.303  10.829
  447    HG   SER  59           HG       SER  59 -13.178   5.327  11.219
  448    H    LEU  60           H        LEU  60  -8.918   1.931  11.526
  449    HA   LEU  60           HA       LEU  60  -7.786   1.565   8.786
  450   1HB   LEU  60          1HB       LEU  60  -6.406   1.914  10.884
  451   2HB   LEU  60          2HB       LEU  60  -6.972   0.363  11.458
  452    HG   LEU  60           HG       LEU  60  -4.672   0.412  10.585
  453   1HD1  LEU  60          1HD1      LEU  60  -4.666  -1.611   9.314
  454   2HD1  LEU  60          2HD1      LEU  60  -5.926  -1.712  10.549
  455   3HD1  LEU  60          3HD1      LEU  60  -6.362  -1.411   8.852
  456   1HD2  LEU  60          1HD2      LEU  60  -4.987   2.084   8.793
  457   2HD2  LEU  60          2HD2      LEU  60  -4.155   0.619   8.248
  458   3HD2  LEU  60          3HD2      LEU  60  -5.859   0.871   7.825
  459    H    GLU  61           H        GLU  61  -9.615   0.147  11.447
  460    HA   GLU  61           HA       GLU  61 -10.183  -2.415  10.381
  461   1HB   GLU  61          1HB       GLU  61 -12.151  -2.318  11.868
  462   2HB   GLU  61          2HB       GLU  61 -10.670  -1.858  12.678
  463   1HG   GLU  61          1HG       GLU  61 -12.393   0.353  11.543
  464   2HG   GLU  61          2HG       GLU  61 -12.970  -0.518  12.952
  465    H    GLY  62           H        GLY  62 -12.561  -3.048   9.725
  466   1HA   GLY  62          1HA       GLY  62 -14.172  -2.949   8.047
  467   2HA   GLY  62          2HA       GLY  62 -13.792  -1.237   7.761
  468    H    HIS  63           H        HIS  63 -12.077  -4.407   7.637
  469    HA   HIS  63           HA       HIS  63 -11.059  -3.920   4.920
  470   1HB   HIS  63          1HB       HIS  63  -9.399  -2.796   6.324
  471   2HB   HIS  63          2HB       HIS  63  -9.370  -4.148   7.453
  472    HD1  HIS  63           HD1      HIS  63  -7.984  -3.140   4.028
  473    HD2  HIS  63           HD2      HIS  63  -7.916  -6.321   6.787
  474    HE1  HIS  63           HE1      HIS  63  -6.047  -4.644   3.370
  475    H    CYS  64           H        CYS  64 -10.660  -5.887   3.905
  476    HA   CYS  64           HA       CYS  64 -10.447  -8.342   5.560
  477   1HB   CYS  64          1HB       CYS  64 -12.104  -8.090   3.006
  478   2HB   CYS  64          2HB       CYS  64 -11.758  -9.588   3.877
  479    HG   CYS  64           HG       CYS  64 -12.863  -8.826   6.157
  480    H    ALA  65           H        ALA  65  -8.572  -9.333   5.048
  481    HA   ALA  65           HA       ALA  65  -6.959  -8.487   2.793
  482   1HB   ALA  65          1HB       ALA  65  -6.719 -10.695   4.874
  483   2HB   ALA  65          2HB       ALA  65  -5.509 -10.422   3.602
  484   3HB   ALA  65          3HB       ALA  65  -5.841  -9.151   4.796
  485    H    ARG  66           H        ARG  66  -6.188  -9.964   1.102
  486    HA   ARG  66           HA       ARG  66  -7.740 -12.297   0.327
  487   1HB   ARG  66          1HB       ARG  66  -8.726 -11.270  -1.730
  488   2HB   ARG  66          2HB       ARG  66  -9.446 -10.668  -0.239
  489   1HG   ARG  66          1HG       ARG  66  -7.911  -8.647  -0.402
  490   2HG   ARG  66          2HG       ARG  66  -7.426  -9.214  -2.008
  491   1HD   ARG  66          1HD       ARG  66  -9.659  -8.913  -2.865
  492   2HD   ARG  66          2HD       ARG  66 -10.317  -8.706  -1.223
  493    HE   ARG  66           HE       ARG  66  -8.212  -6.819  -1.877
  494   1HH1  ARG  66          2HH2      ARG  66 -11.754  -7.238  -2.041
  495   2HH1  ARG  66          1HH2      ARG  66 -12.062  -5.558  -1.784
  496   1HH2  ARG  66          1HH1      ARG  66  -8.597  -4.769  -1.542
  497   2HH2  ARG  66          2HH1      ARG  66 -10.195  -4.045  -1.478
  498    H    GLN  67           H        GLN  67  -6.683 -13.341  -1.482
  499    HA   GLN  67           HA       GLN  67  -3.927 -12.437  -1.841
  500   1HB   GLN  67          1HB       GLN  67  -5.434 -14.868  -2.858
  501   2HB   GLN  67          2HB       GLN  67  -3.859 -14.381  -3.496
  502   1HG   GLN  67          1HG       GLN  67  -3.023 -14.346  -1.053
  503   2HG   GLN  67          2HG       GLN  67  -4.497 -15.238  -0.655
  504   1HE2  GLN  67          2HE2      GLN  67  -1.338 -15.334  -2.307
  505   2HE2  GLN  67          1HE2      GLN  67  -1.372 -17.037  -2.688
  506    H    ILE  68           H        ILE  68  -3.036 -11.558  -3.493
  507    HA   ILE  68           HA       ILE  68  -4.578 -10.071  -5.385
  508    HB   ILE  68           HB       ILE  68  -2.306  -9.504  -4.554
  509   1HG1  ILE  68          1HG1      ILE  68  -1.278  -8.787  -6.660
  510   2HG1  ILE  68          2HG1      ILE  68  -2.342  -9.826  -7.595
  511   1HG2  ILE  68          1HG2      ILE  68  -1.172 -11.645  -6.374
  512   2HG2  ILE  68          2HG2      ILE  68  -0.308 -10.560  -5.272
  513   3HG2  ILE  68          3HG2      ILE  68  -1.345 -11.842  -4.627
  514   1HD1  ILE  68          1HD1      ILE  68  -2.954  -7.420  -7.592
  515   2HD1  ILE  68          2HD1      ILE  68  -4.261  -8.432  -6.942
  516   3HD1  ILE  68          3HD1      ILE  68  -3.215  -7.496  -5.841
  517    H    SER  69           H        SER  69  -4.842 -10.474  -7.591
  518    HA   SER  69           HA       SER  69  -4.083 -13.089  -8.712
  519   1HB   SER  69          1HB       SER  69  -6.369 -13.477  -9.531
  520   2HB   SER  69          2HB       SER  69  -6.363 -13.365  -7.757
  521    HG   SER  69           HG       SER  69  -8.044 -12.144  -8.556
  522    H    ARG  70           H        ARG  70  -4.253 -12.929 -11.195
  523    HA   ARG  70           HA       ARG  70  -3.342 -10.382 -12.154
  524   1HB   ARG  70          1HB       ARG  70  -2.839 -12.494 -13.307
  525   2HB   ARG  70          2HB       ARG  70  -4.551 -12.727 -13.695
  526   1HG   ARG  70          1HG       ARG  70  -4.549 -10.725 -15.109
  527   2HG   ARG  70          2HG       ARG  70  -2.882 -10.345 -14.636
  528   1HD   ARG  70          1HD       ARG  70  -2.080 -12.393 -15.714
  529   2HD   ARG  70          2HD       ARG  70  -3.745 -12.873 -16.099
  530    HE   ARG  70           HE       ARG  70  -3.428 -10.331 -17.231
  531   1HH1  ARG  70          1HH2      ARG  70  -1.847 -13.497 -17.674
  532   2HH1  ARG  70          2HH2      ARG  70  -1.570 -13.249 -19.358
  533   1HH2  ARG  70          1HH1      ARG  70  -3.137 -10.038 -19.327
  534   2HH2  ARG  70          2HH1      ARG  70  -2.320 -11.188 -20.370
  535    H    ARG  71           H        ARG  71  -6.605 -11.884 -12.022
  536    HA   ARG  71           HA       ARG  71  -8.002  -9.849 -13.405
  537   1HB   ARG  71          1HB       ARG  71  -8.895 -11.628 -11.090
  538   2HB   ARG  71          2HB       ARG  71  -9.973 -10.598 -12.039
  539   1HG   ARG  71          1HG       ARG  71  -9.355 -11.822 -14.107
  540   2HG   ARG  71          2HG       ARG  71  -8.295 -12.888 -13.160
  541   1HD   ARG  71          1HD       ARG  71 -10.239 -13.637 -11.821
  542   2HD   ARG  71          2HD       ARG  71 -11.301 -12.576 -12.770
  543    HE   ARG  71           HE       ARG  71  -9.896 -14.245 -14.568
  544   1HH1  ARG  71          1HH1      ARG  71 -12.391 -14.559 -12.061
  545   2HH1  ARG  71          2HH1      ARG  71 -13.132 -15.946 -12.770
  546   1HH2  ARG  71          1HH2      ARG  71 -10.881 -16.096 -15.515
  547   2HH2  ARG  71          2HH2      ARG  71 -12.250 -16.836 -14.778
  548    H    LEU  72           H        LEU  72  -7.256 -10.072  -9.842
  549    HA   LEU  72           HA       LEU  72  -8.446  -7.529  -9.279
  550   1HB   LEU  72          1HB       LEU  72  -6.392  -9.244  -7.890
  551   2HB   LEU  72          2HB       LEU  72  -6.613  -7.577  -7.364
  552    HG   LEU  72           HG       LEU  72  -8.983  -9.445  -7.604
  553   1HD1  LEU  72          1HD1      LEU  72  -8.741  -9.900  -5.176
  554   2HD1  LEU  72          2HD1      LEU  72  -7.356 -10.511  -6.086
  555   3HD1  LEU  72          3HD1      LEU  72  -7.205  -9.003  -5.155
  556   1HD2  LEU  72          1HD2      LEU  72  -9.977  -7.916  -5.935
  557   2HD2  LEU  72          2HD2      LEU  72  -8.502  -6.929  -5.950
  558   3HD2  LEU  72          3HD2      LEU  72  -9.523  -7.054  -7.405
  559    H    CYS  73           H        CYS  73  -5.050  -8.416 -10.161
  560    HA   CYS  73           HA       CYS  73  -3.936  -5.894  -9.813
  561   1HB   CYS  73          1HB       CYS  73  -2.807  -8.122 -10.404
  562   2HB   CYS  73          2HB       CYS  73  -3.205  -7.779 -12.098
  563    HG   CYS  73           HG       CYS  73  -1.992  -5.432 -12.164
  564    H    ARG  74           H        ARG  74  -5.342  -7.196 -12.915
  565    HA   ARG  74           HA       ARG  74  -5.083  -4.631 -14.177
  566   1HB   ARG  74          1HB       ARG  74  -6.013  -5.656 -16.102
  567   2HB   ARG  74          2HB       ARG  74  -4.972  -6.839 -15.319
  568   1HG   ARG  74          1HG       ARG  74  -7.211  -7.693 -14.213
  569   2HG   ARG  74          2HG       ARG  74  -8.000  -6.780 -15.496
  570   1HD   ARG  74          1HD       ARG  74  -6.031  -9.088 -15.756
  571   2HD   ARG  74          2HD       ARG  74  -7.740  -9.120 -16.175
  572    HE   ARG  74           HE       ARG  74  -5.502  -8.192 -17.768
  573   1HH1  ARG  74          1HH2      ARG  74  -9.044  -7.970 -17.445
  574   2HH1  ARG  74          2HH2      ARG  74  -9.269  -7.286 -19.011
  575   1HH2  ARG  74          1HH1      ARG  74  -5.770  -7.128 -19.698
  576   2HH2  ARG  74          2HH1      ARG  74  -7.354  -6.859 -20.382
  577    H    ASN  75           H        ASN  75  -7.501  -5.729 -11.967
  578    HA   ASN  75           HA       ASN  75  -9.708  -4.236 -12.999
  579   1HB   ASN  75          1HB       ASN  75  -9.999  -6.055 -11.370
  580   2HB   ASN  75          2HB       ASN  75  -9.107  -5.135 -10.158
  581   1HD2  ASN  75          2HD2      ASN  75 -10.319  -3.889  -8.766
  582   2HD2  ASN  75          1HD2      ASN  75 -11.976  -3.421  -9.058
  583    H    TYR  76           H        TYR  76  -6.803  -3.214 -11.297
  584    HA   TYR  76           HA       TYR  76  -8.050  -0.530 -10.825
  585   1HB   TYR  76          1HB       TYR  76  -5.680  -1.721  -9.368
  586   2HB   TYR  76          2HB       TYR  76  -6.399  -0.136  -9.097
  587    HD1  TYR  76           HD1      TYR  76  -8.186   0.147  -7.536
  588    HD2  TYR  76           HD2      TYR  76  -7.102  -3.781  -8.851
  589    HE1  TYR  76           HE1      TYR  76  -9.811  -0.818  -5.956
  590    HE2  TYR  76           HE2      TYR  76  -8.667  -4.791  -7.236
  591    HH   TYR  76           HH       TYR  76 -10.295  -4.380  -5.613
  592    H    ASP  77           H        ASP  77  -6.307   1.286 -11.063
  593    HA   ASP  77           HA       ASP  77  -5.255   0.862 -13.799
  594   1HB   ASP  77          1HB       ASP  77  -6.714   2.786 -13.343
  595   2HB   ASP  77          2HB       ASP  77  -5.580   3.371 -12.118
  596    H    LEU  78           H        LEU  78  -4.034   1.300 -10.532
  597    HA   LEU  78           HA       LEU  78  -1.228   1.405 -11.459
  598   1HB   LEU  78          1HB       LEU  78  -2.408   3.740 -11.181
  599   2HB   LEU  78          2HB       LEU  78  -2.414   3.391  -9.468
  600    HG   LEU  78           HG       LEU  78  -0.647   4.894 -10.112
  601   1HD1  LEU  78          1HD1      LEU  78   1.157   4.039  -8.922
  602   2HD1  LEU  78          2HD1      LEU  78  -0.251   3.225  -8.245
  603   3HD1  LEU  78          3HD1      LEU  78   0.827   2.364  -9.376
  604   1HD2  LEU  78          1HD2      LEU  78   1.139   4.399 -11.603
  605   2HD2  LEU  78          2HD2      LEU  78   0.628   2.706 -11.788
  606   3HD2  LEU  78          3HD2      LEU  78  -0.362   4.032 -12.447
  607    H    ILE  79           H        ILE  79   0.121   0.393  -9.870
  608    HA   ILE  79           HA       ILE  79  -1.316  -0.749  -7.516
  609    HB   ILE  79           HB       ILE  79   0.688  -2.194  -9.275
  610   1HG1  ILE  79          1HG1      ILE  79  -1.326  -1.880 -10.611
  611   2HG1  ILE  79          2HG1      ILE  79  -1.028  -3.556 -10.229
  612   1HG2  ILE  79          1HG2      ILE  79  -1.088  -3.177  -7.011
  613   2HG2  ILE  79          2HG2      ILE  79  -0.103  -4.225  -8.055
  614   3HG2  ILE  79          3HG2      ILE  79   0.678  -3.044  -6.997
  615   1HD1  ILE  79          1HD1      ILE  79  -3.042  -1.845  -8.718
  616   2HD1  ILE  79          2HD1      ILE  79  -3.435  -2.857 -10.107
  617   3HD1  ILE  79          3HD1      ILE  79  -2.835  -3.612  -8.623
  618    H    LEU  80           H        LEU  80  -0.130  -0.575  -5.628
  619    HA   LEU  80           HA       LEU  80   2.760   0.155  -5.902
  620   1HB   LEU  80          1HB       LEU  80   0.930   0.923  -3.606
  621   2HB   LEU  80          2HB       LEU  80   2.670   1.146  -3.710
  622    HG   LEU  80           HG       LEU  80   1.802   3.248  -4.045
  623   1HD1  LEU  80          1HD1      LEU  80   2.370   2.270  -6.867
  624   2HD1  LEU  80          2HD1      LEU  80   2.495   3.925  -6.259
  625   3HD1  LEU  80          3HD1      LEU  80   3.599   2.679  -5.647
  626   1HD2  LEU  80          1HD2      LEU  80  -0.118   2.210  -6.154
  627   2HD2  LEU  80          2HD2      LEU  80  -0.531   2.662  -4.490
  628   3HD2  LEU  80          3HD2      LEU  80   0.069   3.889  -5.616
  629    H    THR  81           H        THR  81   4.166  -0.815  -4.419
  630    HA   THR  81           HA       THR  81   3.095  -2.765  -2.537
  631    HB   THR  81           HB       THR  81   3.295  -4.044  -4.639
  632    HG1  THR  81           1HG      THR  81   3.570  -5.048  -2.725
  633   1HG2  THR  81          1HG2      THR  81   6.288  -3.510  -4.476
  634   2HG2  THR  81          2HG2      THR  81   5.431  -4.552  -5.638
  635   3HG2  THR  81          3HG2      THR  81   5.189  -2.801  -5.682
  636    H    MET  82           H        MET  82   5.203  -3.693  -1.263
  637    HA   MET  82           HA       MET  82   6.489  -1.143  -0.453
  638   1HB   MET  82          1HB       MET  82   5.481  -3.620   0.966
  639   2HB   MET  82          2HB       MET  82   6.693  -2.597   1.718
  640   1HG   MET  82          1HG       MET  82   4.417  -1.988   2.425
  641   2HG   MET  82          2HG       MET  82   5.279  -0.672   1.652
  642   1HE   MET  82          1HE       MET  82   2.315  -0.265   2.250
  643   2HE   MET  82          2HE       MET  82   3.313   0.882   1.315
  644   3HE   MET  82          3HE       MET  82   1.735   0.382   0.696
  645    H    GLU  83           H        GLU  83   7.380  -4.146  -1.912
  646    HA   GLU  83           HA       GLU  83  10.245  -3.545  -1.360
  647   1HB   GLU  83          1HB       GLU  83   8.860  -6.251  -1.044
  648   2HB   GLU  83          2HB       GLU  83  10.608  -6.043  -1.154
  649   1HG   GLU  83          1HG       GLU  83  10.682  -4.794   0.917
  650   2HG   GLU  83          2HG       GLU  83   8.922  -4.724   1.006
  651    H    LYS  84           H        LYS  84  11.596  -4.155  -3.132
  652    HA   LYS  84           HA       LYS  84  10.234  -4.095  -5.673
  653   1HB   LYS  84          1HB       LYS  84  13.181  -4.526  -5.030
  654   2HB   LYS  84          2HB       LYS  84  12.503  -4.313  -6.649
  655   1HG   LYS  84          1HG       LYS  84  11.545  -2.093  -5.879
  656   2HG   LYS  84          2HG       LYS  84  12.462  -2.275  -4.377
  657   1HD   LYS  84          1HD       LYS  84  14.575  -2.309  -5.627
  658   2HD   LYS  84          2HD       LYS  84  13.690  -2.293  -7.169
  659   1HE   LYS  84          1HE       LYS  84  12.673  -0.092  -6.522
  660   2HE   LYS  84          2HE       LYS  84  13.684  -0.077  -5.069
  661   1HZ   LYS  84          1HZ       LYS  84  14.734  -0.147  -7.839
  662   2HZ   LYS  84          2HZ       LYS  84  14.609   1.205  -6.938
  663   3HZ   LYS  84          3HZ       LYS  84  15.629   0.001  -6.477
  664    H    ARG  85           H        ARG  85  11.280  -6.816  -3.663
  665    HA   ARG  85           HA       ARG  85  11.387  -8.809  -5.699
  666   1HB   ARG  85          1HB       ARG  85  10.021  -9.426  -3.082
  667   2HB   ARG  85          2HB       ARG  85  11.121 -10.418  -4.016
  668   1HG   ARG  85          1HG       ARG  85  11.826  -8.049  -2.252
  669   2HG   ARG  85          2HG       ARG  85  12.001  -9.736  -1.824
  670   1HD   ARG  85          1HD       ARG  85  13.792 -10.096  -3.369
  671   2HD   ARG  85          2HD       ARG  85  13.527  -8.548  -4.173
  672    HE   ARG  85           HE       ARG  85  14.852  -9.035  -1.585
  673   1HH1  ARG  85          1HH2      ARG  85  13.823  -6.586  -3.907
  674   2HH1  ARG  85          2HH2      ARG  85  13.796  -5.284  -2.728
  675   1HH2  ARG  85          1HH1      ARG  85  15.249  -7.182  -0.157
  676   2HH2  ARG  85          2HH1      ARG  85  14.833  -5.580  -0.713
  677    H    HIS  86           H        HIS  86   8.677  -7.207  -4.035
  678    HA   HIS  86           HA       HIS  86   6.665  -9.040  -5.028
  679   1HB   HIS  86          1HB       HIS  86   6.403  -6.236  -3.913
  680   2HB   HIS  86          2HB       HIS  86   5.095  -7.396  -4.105
  681    HD1  HIS  86           HD1      HIS  86   7.125  -9.792  -2.660
  682    HD2  HIS  86           HD2      HIS  86   5.779  -6.046  -1.305
  683    HE1  HIS  86           HE1      HIS  86   7.231  -9.862  -0.121
  684    H    ILE  87           H        ILE  87   8.012  -5.855  -6.091
  685    HA   ILE  87           HA       ILE  87   6.185  -5.385  -8.205
  686    HB   ILE  87           HB       ILE  87   9.176  -4.776  -8.179
  687   1HG1  ILE  87          1HG1      ILE  87   6.852  -3.013  -7.298
  688   2HG1  ILE  87          2HG1      ILE  87   8.007  -3.795  -6.213
  689   1HG2  ILE  87          1HG2      ILE  87   6.948  -3.464  -9.793
  690   2HG2  ILE  87          2HG2      ILE  87   8.672  -3.055  -9.849
  691   3HG2  ILE  87          3HG2      ILE  87   8.134  -4.612 -10.444
  692   1HD1  ILE  87          1HD1      ILE  87   8.522  -1.518  -8.138
  693   2HD1  ILE  87          2HD1      ILE  87   8.729  -1.576  -6.381
  694   3HD1  ILE  87          3HD1      ILE  87   9.839  -2.481  -7.429
  695    H    GLU  88           H        GLU  88   9.243  -7.322  -8.095
  696    HA   GLU  88           HA       GLU  88   9.148  -8.064 -10.826
  697   1HB   GLU  88          1HB       GLU  88  11.131  -8.234  -9.344
  698   2HB   GLU  88          2HB       GLU  88  10.381  -9.590  -8.489
  699   1HG   GLU  88          1HG       GLU  88  10.356 -10.917 -10.575
  700   2HG   GLU  88          2HG       GLU  88  11.012  -9.545 -11.472
  701    H    ARG  89           H        ARG  89   7.899  -9.826  -7.915
  702    HA   ARG  89           HA       ARG  89   6.887 -12.049  -9.391
  703   1HB   ARG  89          1HB       ARG  89   6.067 -10.867  -6.700
  704   2HB   ARG  89          2HB       ARG  89   5.406 -12.371  -7.359
  705   1HG   ARG  89          1HG       ARG  89   7.669 -13.365  -7.461
  706   2HG   ARG  89          2HG       ARG  89   8.373 -11.874  -6.841
  707   1HD   ARG  89          1HD       ARG  89   8.219 -13.407  -5.004
  708   2HD   ARG  89          2HD       ARG  89   7.043 -12.127  -4.744
  709    HE   ARG  89           HE       ARG  89   5.315 -13.633  -4.944
  710   1HH1  ARG  89          1HH1      ARG  89   8.301 -15.256  -5.974
  711   2HH1  ARG  89          2HH1      ARG  89   7.590 -16.824  -6.043
  712   1HH2  ARG  89          2HH2      ARG  89   4.364 -15.727  -5.048
  713   2HH2  ARG  89          1HH2      ARG  89   5.309 -17.091  -5.499
  714    H    LEU  90           H        LEU  90   5.338  -8.901  -8.570
  715    HA   LEU  90           HA       LEU  90   2.790  -9.724  -9.630
  716   1HB   LEU  90          1HB       LEU  90   4.009  -7.022  -8.991
  717   2HB   LEU  90          2HB       LEU  90   2.375  -7.183  -9.639
  718    HG   LEU  90           HG       LEU  90   3.235  -8.610  -7.090
  719   1HD1  LEU  90          1HD1      LEU  90   2.142  -6.832  -5.834
  720   2HD1  LEU  90          2HD1      LEU  90   3.492  -6.185  -6.761
  721   3HD1  LEU  90          3HD1      LEU  90   1.826  -5.924  -7.333
  722   1HD2  LEU  90          1HD2      LEU  90   0.472  -7.928  -8.127
  723   2HD2  LEU  90          2HD2      LEU  90   1.229  -9.532  -8.233
  724   3HD2  LEU  90          3HD2      LEU  90   0.913  -8.842  -6.656
  725    H    CYS  91           H        CYS  91   5.651  -8.139 -11.123
  726    HA   CYS  91           HA       CYS  91   4.358  -7.645 -13.646
  727   1HB   CYS  91          1HB       CYS  91   7.286  -8.180 -12.968
  728   2HB   CYS  91          2HB       CYS  91   6.683  -7.652 -14.548
  729    HG   CYS  91           HG       CYS  91   6.419  -6.172 -11.608
  730    H    GLU  92           H        GLU  92   6.020 -10.563 -12.281
  731    HA   GLU  92           HA       GLU  92   5.721 -12.085 -14.682
  732   1HB   GLU  92          1HB       GLU  92   6.079 -12.896 -11.772
  733   2HB   GLU  92          2HB       GLU  92   5.997 -14.063 -13.085
  734   1HG   GLU  92          1HG       GLU  92   8.056 -11.819 -12.921
  735   2HG   GLU  92          2HG       GLU  92   8.320 -13.467 -12.371
  736    H    MET  93           H        MET  93   3.555 -11.667 -11.815
  737    HA   MET  93           HA       MET  93   1.610 -13.566 -12.707
  738   1HB   MET  93          1HB       MET  93   1.406 -11.166 -10.844
  739   2HB   MET  93          2HB       MET  93   0.057 -12.247 -11.191
  740   1HG   MET  93          1HG       MET  93   1.388 -14.183 -10.381
  741   2HG   MET  93          2HG       MET  93   2.707 -13.094  -9.974
  742   1HE   MET  93          1HE       MET  93  -0.799 -14.449  -9.150
  743   2HE   MET  93          2HE       MET  93  -1.341 -13.488  -7.763
  744   3HE   MET  93          3HE       MET  93  -1.304 -12.757  -9.379
  745    H    ALA  94           H        ALA  94   2.023 -10.079 -13.440
  746    HA   ALA  94           HA       ALA  94  -0.179 -10.316 -15.451
  747   1HB   ALA  94          1HB       ALA  94   0.200  -8.060 -13.434
  748   2HB   ALA  94          2HB       ALA  94  -1.012  -8.118 -14.733
  749   3HB   ALA  94          3HB       ALA  94  -1.085  -9.283 -13.396
  750    HA   PRO  95           HA       PRO  95   3.860  -8.741 -17.179
  751   1HB   PRO  95          1HB       PRO  95   2.721 -10.140 -19.591
  752   2HB   PRO  95          2HB       PRO  95   4.415 -10.081 -19.007
  753   1HG   PRO  95          1HG       PRO  95   2.891 -12.290 -18.586
  754   2HG   PRO  95          2HG       PRO  95   3.958 -11.665 -17.285
  755   1HD   PRO  95          1HD       PRO  95   0.976 -11.260 -17.621
  756   2HD   PRO  95          2HD       PRO  95   1.909 -11.677 -16.157
  757    H    GLU  96           H        GLU  96   0.534  -8.641 -18.517
  758    HA   GLU  96           HA       GLU  96   0.915  -6.539 -20.357
  759   1HB   GLU  96          1HB       GLU  96  -1.481  -6.335 -20.335
  760   2HB   GLU  96          2HB       GLU  96  -1.064  -8.045 -20.224
  761   1HG   GLU  96          1HG       GLU  96  -1.467  -7.969 -17.753
  762   2HG   GLU  96          2HG       GLU  96  -1.931  -6.271 -17.888
  763    H    MET  97           H        MET  97   1.063  -6.398 -16.918
  764    HA   MET  97           HA       MET  97   0.484  -3.486 -16.861
  765   1HB   MET  97          1HB       MET  97  -1.218  -5.099 -15.878
  766   2HB   MET  97          2HB       MET  97  -0.011  -5.534 -14.656
  767   1HG   MET  97          1HG       MET  97  -0.002  -3.315 -13.782
  768   2HG   MET  97          2HG       MET  97  -0.855  -2.676 -15.202
  769   1HE   MET  97          1HE       MET  97  -1.633  -1.558 -12.785
  770   2HE   MET  97          2HE       MET  97  -2.876  -1.377 -14.035
  771   3HE   MET  97          3HE       MET  97  -3.328  -1.900 -12.394
  772    H    ARG  98           H        ARG  98   3.074  -5.393 -16.998
  773    HA   ARG  98           HA       ARG  98   4.638  -4.727 -14.728
  774   1HB   ARG  98          1HB       ARG  98   6.556  -5.248 -16.087
  775   2HB   ARG  98          2HB       ARG  98   5.262  -6.384 -16.461
  776   1HG   ARG  98          1HG       ARG  98   4.735  -4.823 -18.489
  777   2HG   ARG  98          2HG       ARG  98   6.304  -4.077 -18.147
  778   1HD   ARG  98          1HD       ARG  98   7.365  -6.347 -18.312
  779   2HD   ARG  98          2HD       ARG  98   5.803  -7.024 -18.779
  780    HE   ARG  98           HE       ARG  98   7.660  -5.480 -20.387
  781   1HH1  ARG  98          1HH2      ARG  98   4.216  -6.383 -20.141
  782   2HH1  ARG  98          2HH2      ARG  98   3.919  -6.174 -21.833
  783   1HH2  ARG  98          1HH1      ARG  98   7.232  -5.184 -22.613
  784   2HH2  ARG  98          2HH1      ARG  98   5.661  -5.465 -23.256
  785    H    GLY  99           H        GLY  99   5.764  -2.888 -14.139
  786   1HA   GLY  99          1HA       GLY  99   6.665  -0.747 -14.383
  787   2HA   GLY  99          2HA       GLY  99   5.830  -0.540 -15.922
  788    H    LYS 100           H        LYS 100   3.124  -1.378 -14.723
  789    HA   LYS 100           HA       LYS 100   2.419   1.179 -13.440
  790   1HB   LYS 100          1HB       LYS 100   0.878  -1.369 -14.028
  791   2HB   LYS 100          2HB       LYS 100   0.174  -0.052 -13.120
  792   1HG   LYS 100          1HG       LYS 100   1.176   0.202 -15.986
  793   2HG   LYS 100          2HG       LYS 100  -0.493  -0.091 -15.486
  794   1HD   LYS 100          1HD       LYS 100  -0.252   2.078 -14.050
  795   2HD   LYS 100          2HD       LYS 100   1.200   2.387 -15.003
  796   1HE   LYS 100          1HE       LYS 100  -0.615   3.604 -15.978
  797   2HE   LYS 100          2HE       LYS 100  -0.197   2.295 -17.091
  798   1HZ   LYS 100          1HZ       LYS 100  -2.408   2.103 -15.121
  799   2HZ   LYS 100          2HZ       LYS 100  -2.633   2.639 -16.652
  800   3HZ   LYS 100          3HZ       LYS 100  -2.128   1.108 -16.391
  801    H    VAL 101           H        VAL 101   3.731  -1.814 -12.352
  802    HA   VAL 101           HA       VAL 101   2.711  -1.465  -9.610
  803    HB   VAL 101           HB       VAL 101   4.750  -3.475 -10.632
  804   1HG1  VAL 101          1HG1      VAL 101   2.905  -3.465  -8.193
  805   2HG1  VAL 101          2HG1      VAL 101   4.053  -4.742  -8.631
  806   3HG1  VAL 101          3HG1      VAL 101   4.651  -3.147  -8.170
  807   1HG2  VAL 101          1HG2      VAL 101   2.694  -3.864 -11.938
  808   2HG2  VAL 101          2HG2      VAL 101   2.949  -5.141 -10.760
  809   3HG2  VAL 101          3HG2      VAL 101   1.733  -3.889 -10.444
  810    H    MET 102           H        MET 102   3.925  -0.301  -8.078
  811    HA   MET 102           HA       MET 102   6.779   0.310  -8.691
  812   1HB   MET 102          1HB       MET 102   4.565   2.361  -8.261
  813   2HB   MET 102          2HB       MET 102   6.286   2.734  -8.122
  814   1HG   MET 102          1HG       MET 102   6.645   1.940 -10.444
  815   2HG   MET 102          2HG       MET 102   4.908   1.694 -10.620
  816   1HE   MET 102          1HE       MET 102   3.388   5.208 -10.723
  817   2HE   MET 102          2HE       MET 102   3.163   3.459 -10.967
  818   3HE   MET 102          3HE       MET 102   3.467   4.096  -9.339
  819    H    LEU 103           H        LEU 103   7.949   1.216  -6.879
  820    HA   LEU 103           HA       LEU 103   7.262  -0.072  -4.406
  821   1HB   LEU 103          1HB       LEU 103   9.611   0.345  -5.386
  822   2HB   LEU 103          2HB       LEU 103   9.401   2.037  -4.954
  823    HG   LEU 103           HG       LEU 103   9.078   1.277  -2.531
  824   1HD1  LEU 103          1HD1      LEU 103   8.486  -1.086  -2.912
  825   2HD1  LEU 103          2HD1      LEU 103  10.050  -1.375  -3.702
  826   3HD1  LEU 103          3HD1      LEU 103   9.979  -0.985  -1.975
  827   1HD2  LEU 103          1HD2      LEU 103  11.199   2.207  -3.359
  828   2HD2  LEU 103          2HD2      LEU 103  11.487   0.941  -2.158
  829   3HD2  LEU 103          3HD2      LEU 103  11.720   0.589  -3.882
  830    H    PHE 104           H        PHE 104   6.147   0.790  -2.660
  831    HA   PHE 104           HA       PHE 104   4.842   3.254  -2.828
  832   1HB   PHE 104          1HB       PHE 104   4.440   1.166  -1.299
  833   2HB   PHE 104          2HB       PHE 104   5.493   1.981  -0.151
  834    HD1  PHE 104           HD1      PHE 104   2.225   1.865  -1.733
  835    HD2  PHE 104           HD2      PHE 104   4.766   4.256   0.780
  836    HE1  PHE 104           HE1      PHE 104   0.323   3.349  -1.255
  837    HE2  PHE 104           HE2      PHE 104   2.816   5.699   1.353
  838    HZ   PHE 104           HZ       PHE 104   0.603   5.279   0.281
  839    H    GLY 105           H        GLY 105   7.965   2.489  -1.223
  840   1HA   GLY 105          1HA       GLY 105   8.215   5.207  -0.150
  841   2HA   GLY 105          2HA       GLY 105   9.341   3.869   0.059
  842    H    HIS 106           H        HIS 106   8.275   4.644  -3.206
  843    HA   HIS 106           HA       HIS 106  10.786   4.819  -4.335
  844   1HB   HIS 106          1HB       HIS 106   8.882   4.462  -5.671
  845   2HB   HIS 106          2HB       HIS 106   8.103   5.953  -5.130
  846    HD1  HIS 106           HD1      HIS 106  11.151   4.926  -7.335
  847    HD2  HIS 106           HD2      HIS 106   8.398   8.036  -6.639
  848    HE1  HIS 106           HE1      HIS 106  11.579   6.674  -9.133
  849    H    TRP 107           H        TRP 107   8.770   7.626  -3.242
  850    HA   TRP 107           HA       TRP 107  10.617   9.586  -4.118
  851   1HB   TRP 107          1HB       TRP 107   8.711   9.902  -1.796
  852   2HB   TRP 107          2HB       TRP 107   9.237  11.132  -2.940
  853    HD1  TRP 107           HD1      TRP 107   6.542   8.692  -2.229
  854    HE1  TRP 107           HE1      TRP 107   4.850   8.550  -4.101
  855    HE3  TRP 107           HE3      TRP 107   9.087  11.340  -5.816
  856    HZ2  TRP 107           HZ2      TRP 107   4.574   9.502  -6.835
  857    HZ3  TRP 107           HZ3      TRP 107   8.061  11.715  -8.045
  858    HH2  TRP 107           HH2      TRP 107   5.785  10.817  -8.548
  859    H    ASP 108           H        ASP 108  10.618   7.567  -1.249
  860    HA   ASP 108           HA       ASP 108  12.331   9.435   0.266
  861   1HB   ASP 108          1HB       ASP 108  10.361   8.213   1.308
  862   2HB   ASP 108          2HB       ASP 108  11.281   6.719   1.153
  863    H    ASN 109           H        ASN 109  13.656   9.005  -1.856
  864    HA   ASN 109           HA       ASN 109  15.336   8.004  -2.975
  865   1HB   ASN 109          1HB       ASN 109  16.462   9.045  -0.995
  866   2HB   ASN 109          2HB       ASN 109  16.461   7.464  -0.205
  867   1HD2  ASN 109          2HD2      ASN 109  17.353   8.868  -3.447
  868   2HD2  ASN 109          1HD2      ASN 109  18.861   8.004  -3.572
  869    H    GLU 110           H        GLU 110  13.217   6.324  -2.945
  870    HA   GLU 110           HA       GLU 110  12.522   4.206  -3.189
  871   1HB   GLU 110          1HB       GLU 110  15.366   3.863  -4.205
  872   2HB   GLU 110          2HB       GLU 110  14.039   2.721  -4.477
  873   1HG   GLU 110          1HG       GLU 110  12.724   4.446  -5.604
  874   2HG   GLU 110          2HG       GLU 110  14.006   5.633  -5.339
  875    H    CYS 111           H        CYS 111  13.152   4.708  -0.531
  876    HA   CYS 111           HA       CYS 111  14.485   2.395   0.625
  877   1HB   CYS 111          1HB       CYS 111  12.637   4.560   1.661
  878   2HB   CYS 111          2HB       CYS 111  13.120   3.174   2.672
  879    HG   CYS 111           HG       CYS 111  14.863   5.536   1.239
  880    H    GLU 112           H        GLU 112  13.683   0.363   0.611
  881    HA   GLU 112           HA       GLU 112  10.925  -0.277   0.025
  882   1HB   GLU 112          1HB       GLU 112  13.083  -1.979   1.360
  883   2HB   GLU 112          2HB       GLU 112  11.575  -2.551   0.631
  884   1HG   GLU 112          1HG       GLU 112  12.372  -1.590  -1.576
  885   2HG   GLU 112          2HG       GLU 112  13.933  -1.259  -0.818
  886    H    ILE 113           H        ILE 113   9.259  -0.711   1.523
  887    HA   ILE 113           HA       ILE 113   9.568   0.678   4.075
  888    HB   ILE 113           HB       ILE 113   7.208  -0.904   3.030
  889   1HG1  ILE 113          1HG1      ILE 113   7.693   0.808   1.357
  890   2HG1  ILE 113          2HG1      ILE 113   6.215   1.167   2.213
  891   1HG2  ILE 113          1HG2      ILE 113   5.863   0.481   4.552
  892   2HG2  ILE 113          2HG2      ILE 113   7.051  -0.480   5.417
  893   3HG2  ILE 113          3HG2      ILE 113   7.337   1.255   5.169
  894   1HD1  ILE 113          1HD1      ILE 113   8.872   2.538   2.758
  895   2HD1  ILE 113          2HD1      ILE 113   7.522   3.186   1.806
  896   3HD1  ILE 113          3HD1      ILE 113   7.302   2.899   3.532
  897    HA   PRO 114           HA       PRO 114  10.688  -3.151   6.251
  898   1HB   PRO 114          1HB       PRO 114   9.346  -1.901   8.622
  899   2HB   PRO 114          2HB       PRO 114  10.974  -2.617   8.492
  900   1HG   PRO 114          1HG       PRO 114  10.617   0.091   8.546
  901   2HG   PRO 114          2HG       PRO 114  11.862  -0.667   7.502
  902   1HD   PRO 114          1HD       PRO 114   9.129   0.356   6.722
  903   2HD   PRO 114          2HD       PRO 114  10.695   0.509   5.869
  904    H    ASP 115           H        ASP 115   9.543  -4.752   7.828
  905    HA   ASP 115           HA       ASP 115   6.759  -5.231   6.858
  906   1HB   ASP 115          1HB       ASP 115   8.378  -6.645   5.719
  907   2HB   ASP 115          2HB       ASP 115   9.043  -7.184   7.256
  908    HA   PRO 116           HA       PRO 116   6.769  -5.061  11.416
  909   1HB   PRO 116          1HB       PRO 116   4.385  -3.881  11.886
  910   2HB   PRO 116          2HB       PRO 116   5.730  -2.974  11.140
  911   1HG   PRO 116          1HG       PRO 116   3.401  -4.336   9.744
  912   2HG   PRO 116          2HG       PRO 116   3.991  -2.662   9.518
  913   1HD   PRO 116          1HD       PRO 116   4.743  -4.785   7.920
  914   2HD   PRO 116          2HD       PRO 116   5.828  -3.403   8.224
  915    H    TYR 117           H        TYR 117   5.011  -7.057   9.367
  916    HA   TYR 117           HA       TYR 117   2.756  -7.950  10.231
  917   1HB   TYR 117          1HB       TYR 117   4.016  -8.781   8.338
  918   2HB   TYR 117          2HB       TYR 117   5.139  -9.623   9.396
  919    HD1  TYR 117           HD1      TYR 117   4.813 -11.888   9.809
  920    HD2  TYR 117           HD2      TYR 117   1.474  -9.467   8.571
  921    HE1  TYR 117           HE1      TYR 117   3.428 -13.931   9.615
  922    HE2  TYR 117           HE2      TYR 117   0.063 -11.513   8.366
  923    HH   TYR 117           HH       TYR 117   1.336 -14.802   9.056
  924    H    ARG 118           H        ARG 118   5.728  -9.186  11.921
  925    HA   ARG 118           HA       ARG 118   3.964  -9.840  14.242
  926   1HB   ARG 118          1HB       ARG 118   6.019 -11.684  12.955
  927   2HB   ARG 118          2HB       ARG 118   5.442 -11.905  14.612
  928   1HG   ARG 118          1HG       ARG 118   3.134 -12.133  13.866
  929   2HG   ARG 118          2HG       ARG 118   3.616 -11.873  12.184
  930   1HD   ARG 118          1HD       ARG 118   5.032 -13.892  12.256
  931   2HD   ARG 118          2HD       ARG 118   4.561 -14.165  13.949
  932    HE   ARG 118           HE       ARG 118   2.179 -13.962  12.505
  933   1HH1  ARG 118          1HH1      ARG 118   4.979 -16.143  12.529
  934   2HH1  ARG 118          2HH1      ARG 118   4.099 -17.516  11.970
  935   1HH2  ARG 118          1HH2      ARG 118   0.995 -15.795  11.777
  936   2HH2  ARG 118          2HH2      ARG 118   1.781 -17.307  11.533
  937    H    LYS 119           H        LYS 119   5.635  -7.517  13.622
  938    HA   LYS 119           HA       LYS 119   7.930  -7.801  15.509
  939   1HB   LYS 119          1HB       LYS 119   7.164  -5.532  13.632
  940   2HB   LYS 119          2HB       LYS 119   8.650  -5.645  14.565
  941   1HG   LYS 119          1HG       LYS 119   7.831  -7.472  12.269
  942   2HG   LYS 119          2HG       LYS 119   9.029  -6.193  12.205
  943   1HD   LYS 119          1HD       LYS 119   9.254  -8.743  13.858
  944   2HD   LYS 119          2HD       LYS 119  10.060  -8.402  12.323
  945   1HE   LYS 119          1HE       LYS 119  11.241  -6.470  13.363
  946   2HE   LYS 119          2HE       LYS 119  10.482  -6.846  14.915
  947   1HZ   LYS 119          1HZ       LYS 119  12.328  -8.638  13.443
  948   2HZ   LYS 119          2HZ       LYS 119  12.701  -7.774  14.771
  949   3HZ   LYS 119          3HZ       LYS 119  11.625  -8.991  14.877
  950    H    SER 120           H        SER 120   8.211  -5.389  16.607
  951    HA   SER 120           HA       SER 120   6.219  -5.392  18.685
  952   1HB   SER 120          1HB       SER 120   7.584  -3.424  19.467
  953   2HB   SER 120          2HB       SER 120   8.551  -4.864  19.115
  954    HG   SER 120           HG       SER 120   9.513  -3.056  18.190
  955    H    ARG 121           H        ARG 121   4.866  -3.521  19.322
  956    HA   ARG 121           HA       ARG 121   3.442  -2.215  17.236
  957   1HB   ARG 121          1HB       ARG 121   2.646  -2.527  19.600
  958   2HB   ARG 121          2HB       ARG 121   3.793  -1.280  20.120
  959   1HG   ARG 121          1HG       ARG 121   2.633   0.371  18.637
  960   2HG   ARG 121          2HG       ARG 121   1.515  -0.900  18.121
  961   1HD   ARG 121          1HD       ARG 121   0.745  -1.151  20.475
  962   2HD   ARG 121          2HD       ARG 121   1.821   0.157  20.967
  963    HE   ARG 121           HE       ARG 121  -0.740   0.338  19.607
  964   1HH1  ARG 121          1HH2      ARG 121   2.268   2.164  20.304
  965   2HH1  ARG 121          2HH2      ARG 121   1.491   3.699  19.956
  966   1HH2  ARG 121          1HH1      ARG 121  -1.636   2.529  19.134
  967   2HH2  ARG 121          2HH1      ARG 121  -0.543   3.871  19.382
  968    H    GLU 122           H        GLU 122   6.461  -1.320  18.923
  969    HA   GLU 122           HA       GLU 122   6.625   1.348  17.945
  970   1HB   GLU 122          1HB       GLU 122   8.006   0.375  19.767
  971   2HB   GLU 122          2HB       GLU 122   8.855  -0.631  18.586
  972   1HG   GLU 122          1HG       GLU 122   9.716   1.391  17.456
  973   2HG   GLU 122          2HG       GLU 122   8.781   2.420  18.545
  974    H    THR 123           H        THR 123   7.391  -1.821  16.424
  975    HA   THR 123           HA       THR 123   8.670  -0.589  14.114
  976    HB   THR 123           HB       THR 123   7.484  -3.376  14.390
  977    HG1  THR 123           1HG      THR 123   9.042  -3.073  15.986
  978   1HG2  THR 123          1HG2      THR 123   8.001  -2.799  12.062
  979   2HG2  THR 123          2HG2      THR 123   9.599  -2.187  12.533
  980   3HG2  THR 123          3HG2      THR 123   9.233  -3.917  12.664
  981    H    PHE 124           H        PHE 124   5.299  -1.730  14.918
  982    HA   PHE 124           HA       PHE 124   4.207  -1.122  12.340
  983   1HB   PHE 124          1HB       PHE 124   2.979  -1.191  15.114
  984   2HB   PHE 124          2HB       PHE 124   2.069  -0.680  13.709
  985    HD1  PHE 124           HD1      PHE 124   3.721  -3.600  15.295
  986    HD2  PHE 124           HD2      PHE 124   1.224  -2.220  12.068
  987    HE1  PHE 124           HE1      PHE 124   3.090  -5.933  14.800
  988    HE2  PHE 124           HE2      PHE 124   0.557  -4.570  11.614
  989    HZ   PHE 124           HZ       PHE 124   1.499  -6.427  12.956
  990    H    ALA 125           H        ALA 125   4.758   0.970  15.237
  991    HA   ALA 125           HA       ALA 125   3.583   3.309  14.115
  992   1HB   ALA 125          1HB       ALA 125   4.777   4.502  15.886
  993   2HB   ALA 125          2HB       ALA 125   4.043   3.017  16.526
  994   3HB   ALA 125          3HB       ALA 125   5.792   3.083  16.202
  995    H    ALA 126           H        ALA 126   6.995   2.130  14.036
  996    HA   ALA 126           HA       ALA 126   8.058   4.337  12.601
  997   1HB   ALA 126          1HB       ALA 126   9.871   2.788  11.985
  998   2HB   ALA 126          2HB       ALA 126   9.449   2.612  13.699
  999   3HB   ALA 126          3HB       ALA 126   8.901   1.401  12.517
 1000    H    VAL 127           H        VAL 127   6.640   1.235  11.391
 1001    HA   VAL 127           HA       VAL 127   6.925   1.887   8.640
 1002    HB   VAL 127           HB       VAL 127   5.120  -0.038  10.150
 1003   1HG1  VAL 127          1HG1      VAL 127   4.744  -1.139   7.895
 1004   2HG1  VAL 127          2HG1      VAL 127   3.895   0.393   8.110
 1005   3HG1  VAL 127          3HG1      VAL 127   5.378   0.332   7.135
 1006   1HG2  VAL 127          1HG2      VAL 127   7.519  -0.465   8.312
 1007   2HG2  VAL 127          2HG2      VAL 127   7.621  -0.444  10.083
 1008   3HG2  VAL 127          3HG2      VAL 127   6.691  -1.700   9.277
 1009    H    TYR 128           H        TYR 128   4.142   2.513  10.905
 1010    HA   TYR 128           HA       TYR 128   2.461   3.685   8.968
 1011   1HB   TYR 128          1HB       TYR 128   1.804   3.108  11.296
 1012   2HB   TYR 128          2HB       TYR 128   2.755   4.457  11.903
 1013    HD1  TYR 128           HD1      TYR 128  -0.478   3.429  10.748
 1014    HD2  TYR 128           HD2      TYR 128   2.128   6.862  11.000
 1015    HE1  TYR 128           HE1      TYR 128  -2.409   4.933  10.358
 1016    HE2  TYR 128           HE2      TYR 128   0.240   8.354  10.537
 1017    HH   TYR 128           HH       TYR 128  -2.073   8.502  10.180
 1018    H    THR 129           H        THR 129   5.044   5.208  10.997
 1019    HA   THR 129           HA       THR 129   4.585   7.841  10.038
 1020    HB   THR 129           HB       THR 129   7.177   6.616  11.088
 1021    HG1  THR 129           1HG      THR 129   5.575   6.214  12.563
 1022   1HG2  THR 129          1HG2      THR 129   6.126   9.485  11.147
 1023   2HG2  THR 129          2HG2      THR 129   7.596   8.903  11.965
 1024   3HG2  THR 129          3HG2      THR 129   7.507   8.892  10.198
 1025    H    LEU 130           H        LEU 130   6.840   5.276   8.869
 1026    HA   LEU 130           HA       LEU 130   8.029   6.878   6.836
 1027   1HB   LEU 130          1HB       LEU 130   9.027   4.831   7.748
 1028   2HB   LEU 130          2HB       LEU 130   7.709   3.863   7.085
 1029    HG   LEU 130           HG       LEU 130   8.409   4.370   4.802
 1030   1HD1  LEU 130          1HD1      LEU 130  10.563   5.557   4.360
 1031   2HD1  LEU 130          2HD1      LEU 130   9.312   6.630   4.977
 1032   3HD1  LEU 130          3HD1      LEU 130  10.608   6.066   6.062
 1033   1HD2  LEU 130          1HD2      LEU 130  10.533   3.157   4.801
 1034   2HD2  LEU 130          2HD2      LEU 130  10.743   3.491   6.538
 1035   3HD2  LEU 130          3HD2      LEU 130   9.397   2.478   5.978
 1036    H    LEU 131           H        LEU 131   5.188   4.677   6.814
 1037    HA   LEU 131           HA       LEU 131   4.638   4.992   4.008
 1038   1HB   LEU 131          1HB       LEU 131   2.922   4.160   6.384
 1039   2HB   LEU 131          2HB       LEU 131   2.281   4.264   4.749
 1040    HG   LEU 131           HG       LEU 131   4.621   2.473   5.531
 1041   1HD1  LEU 131          1HD1      LEU 131   2.517   1.752   6.591
 1042   2HD1  LEU 131          2HD1      LEU 131   1.698   1.774   5.009
 1043   3HD1  LEU 131          3HD1      LEU 131   3.013   0.620   5.327
 1044   1HD2  LEU 131          1HD2      LEU 131   4.751   3.022   3.172
 1045   2HD2  LEU 131          2HD2      LEU 131   4.105   1.391   3.331
 1046   3HD2  LEU 131          3HD2      LEU 131   3.010   2.740   2.960
 1047    H    GLU 132           H        GLU 132   3.671   6.881   6.914
 1048    HA   GLU 132           HA       GLU 132   1.759   8.473   5.560
 1049   1HB   GLU 132          1HB       GLU 132   1.849   8.359   7.965
 1050   2HB   GLU 132          2HB       GLU 132   3.453   9.076   8.018
 1051   1HG   GLU 132          1HG       GLU 132   1.093  10.551   6.772
 1052   2HG   GLU 132          2HG       GLU 132   1.368  10.568   8.513
 1053    H    ARG 133           H        ARG 133   5.272   9.238   6.233
 1054    HA   ARG 133           HA       ARG 133   5.178  11.552   4.600
 1055   1HB   ARG 133          1HB       ARG 133   7.597  11.506   4.498
 1056   2HB   ARG 133          2HB       ARG 133   7.002  11.251   6.140
 1057   1HG   ARG 133          1HG       ARG 133   7.455   8.846   5.950
 1058   2HG   ARG 133          2HG       ARG 133   8.049   9.042   4.297
 1059   1HD   ARG 133          1HD       ARG 133   9.287  10.462   6.700
 1060   2HD   ARG 133          2HD       ARG 133   9.785   8.865   6.157
 1061    HE   ARG 133           HE       ARG 133  10.747   9.708   4.221
 1062   1HH1  ARG 133          1HH2      ARG 133   9.442  12.425   6.134
 1063   2HH1  ARG 133          2HH2      ARG 133  10.366  13.601   5.275
 1064   1HH2  ARG 133          1HH1      ARG 133  11.923  11.140   3.203
 1065   2HH2  ARG 133          2HH1      ARG 133  11.851  12.864   3.522
 1066    H    SER 134           H        SER 134   5.725   8.144   3.624
 1067    HA   SER 134           HA       SER 134   6.448   8.770   0.933
 1068   1HB   SER 134          1HB       SER 134   5.058   6.291   2.024
 1069   2HB   SER 134          2HB       SER 134   5.891   6.440   0.466
 1070    HG   SER 134           HG       SER 134   6.985   6.522   3.089
 1071    H    ALA 135           H        ALA 135   3.222   8.024   2.417
 1072    HA   ALA 135           HA       ALA 135   1.727   8.336   0.027
 1073   1HB   ALA 135          1HB       ALA 135   0.839   7.219   2.046
 1074   2HB   ALA 135          2HB       ALA 135   0.875   8.765   2.926
 1075   3HB   ALA 135          3HB       ALA 135  -0.214   8.553   1.539
 1076    H    ARG 136           H        ARG 136   2.789  10.705   2.520
 1077    HA   ARG 136           HA       ARG 136   1.374  12.959   1.512
 1078   1HB   ARG 136          1HB       ARG 136   2.746  12.629   3.694
 1079   2HB   ARG 136          2HB       ARG 136   4.172  12.991   2.721
 1080   1HG   ARG 136          1HG       ARG 136   2.944  15.178   2.074
 1081   2HG   ARG 136          2HG       ARG 136   1.823  14.792   3.373
 1082   1HD   ARG 136          1HD       ARG 136   4.765  15.436   3.505
 1083   2HD   ARG 136          2HD       ARG 136   3.417  16.241   4.336
 1084    HE   ARG 136           HE       ARG 136   3.419  13.733   5.457
 1085   1HH1  ARG 136          1HH1      ARG 136   5.912  16.250   5.075
 1086   2HH1  ARG 136          2HH1      ARG 136   6.782  15.786   6.487
 1087   1HH2  ARG 136          1HH2      ARG 136   4.548  13.128   7.314
 1088   2HH2  ARG 136          2HH2      ARG 136   5.991  13.970   7.794
 1089    H    GLN 137           H        GLN 137   4.616  11.590   0.656
 1090    HA   GLN 137           HA       GLN 137   5.174  13.584  -1.300
 1091   1HB   GLN 137          1HB       GLN 137   6.300  10.810  -0.804
 1092   2HB   GLN 137          2HB       GLN 137   6.908  11.910  -2.054
 1093   1HG   GLN 137          1HG       GLN 137   7.543  13.567  -0.476
 1094   2HG   GLN 137          2HG       GLN 137   6.725  12.775   0.857
 1095   1HE2  GLN 137          2HE2      GLN 137   9.717  13.449  -0.110
 1096   2HE2  GLN 137          1HE2      GLN 137  10.570  12.030   0.457
 1097    H    TRP 138           H        TRP 138   3.639  10.290  -1.643
 1098    HA   TRP 138           HA       TRP 138   3.191  10.490  -4.424
 1099   1HB   TRP 138          1HB       TRP 138   1.620   9.108  -2.226
 1100   2HB   TRP 138          2HB       TRP 138   1.063   9.117  -3.888
 1101    HD1  TRP 138           HD1      TRP 138   3.540   7.391  -1.654
 1102    HE1  TRP 138           HE1      TRP 138   4.995   5.761  -2.934
 1103    HE3  TRP 138           HE3      TRP 138   1.912   8.460  -6.390
 1104    HZ2  TRP 138           HZ2      TRP 138   5.413   4.979  -5.709
 1105    HZ3  TRP 138           HZ3      TRP 138   2.876   7.260  -8.337
 1106    HH2  TRP 138           HH2      TRP 138   4.657   5.556  -8.005
 1107    H    ALA 139           H        ALA 139   1.238  11.855  -1.708
 1108    HA   ALA 139           HA       ALA 139  -0.769  12.938  -3.383
 1109   1HB   ALA 139          1HB       ALA 139  -0.981  12.638  -0.932
 1110   2HB   ALA 139          2HB       ALA 139   0.169  13.967  -0.669
 1111   3HB   ALA 139          3HB       ALA 139  -1.385  14.289  -1.449
 1112    H    GLN 140           H        GLN 140   2.306  14.436  -2.180
 1113    HA   GLN 140           HA       GLN 140   1.936  16.955  -3.448
 1114   1HB   GLN 140          1HB       GLN 140   4.479  15.373  -2.846
 1115   2HB   GLN 140          2HB       GLN 140   4.494  16.988  -3.535
 1116   1HG   GLN 140          1HG       GLN 140   3.381  16.233  -0.813
 1117   2HG   GLN 140          2HG       GLN 140   4.896  17.070  -1.153
 1118   1HE2  GLN 140          2HE2      GLN 140   4.552  19.186  -2.599
 1119   2HE2  GLN 140          1HE2      GLN 140   3.218  20.195  -2.109
 1120    H    ALA 141           H        ALA 141   3.322  13.879  -4.717
 1121    HA   ALA 141           HA       ALA 141   4.145  14.965  -7.210
 1122   1HB   ALA 141          1HB       ALA 141   3.310  12.112  -6.514
 1123   2HB   ALA 141          2HB       ALA 141   4.210  12.626  -7.953
 1124   3HB   ALA 141          3HB       ALA 141   4.937  12.808  -6.340
 1125    H    LEU 142           H        LEU 142   1.170  13.109  -6.372
 1126    HA   LEU 142           HA       LEU 142  -0.229  13.397  -8.785
 1127   1HB   LEU 142          1HB       LEU 142  -1.166  13.324  -5.890
 1128   2HB   LEU 142          2HB       LEU 142  -2.311  13.374  -7.221
 1129    HG   LEU 142           HG       LEU 142  -0.189  11.198  -6.985
 1130   1HD1  LEU 142          1HD1      LEU 142  -1.994   9.766  -6.073
 1131   2HD1  LEU 142          2HD1      LEU 142  -1.612  11.118  -4.998
 1132   3HD1  LEU 142          3HD1      LEU 142  -3.074  11.180  -6.002
 1133   1HD2  LEU 142          1HD2      LEU 142  -1.773   9.974  -8.482
 1134   2HD2  LEU 142          2HD2      LEU 142  -2.760  11.438  -8.617
 1135   3HD2  LEU 142          3HD2      LEU 142  -1.098  11.414  -9.244
 1136    H    ASN 143           H        ASN 143  -0.234  15.670  -5.997
 1137    HA   ASN 143           HA       ASN 143  -1.999  17.568  -7.134
 1138   1HB   ASN 143          1HB       ASN 143  -1.421  17.434  -4.731
 1139   2HB   ASN 143          2HB       ASN 143   0.226  17.954  -5.093
 1140   1HD2  ASN 143          2HD2      ASN 143   0.552  20.139  -4.698
 1141   2HD2  ASN 143          1HD2      ASN 143  -0.677  21.367  -4.837
 1142    H    ALA 144           H        ALA 144   1.347  16.946  -7.919
 1143    HA   ALA 144           HA       ALA 144   1.462  19.453  -9.484
 1144   1HB   ALA 144          1HB       ALA 144   2.914  19.508  -7.440
 1145   2HB   ALA 144          2HB       ALA 144   3.747  18.051  -8.016
 1146   3HB   ALA 144          3HB       ALA 144   3.863  19.571  -8.938
 1147    H    GLU 145           H        GLU 145   0.573  16.766 -10.157
 1148    HA   GLU 145           HA       GLU 145   1.872  16.628 -12.780
 1149   1HB   GLU 145          1HB       GLU 145   2.827  14.884 -11.138
 1150   2HB   GLU 145          2HB       GLU 145   1.205  14.192 -11.055
 1151   1HG   GLU 145          1HG       GLU 145   2.495  12.908 -12.569
 1152   2HG   GLU 145          2HG       GLU 145   1.327  13.806 -13.525
 1153    H    GLN 146           H        GLN 146  -0.412  17.981 -11.808
 1154    HA   GLN 146           HA       GLN 146  -2.827  16.563 -12.517
 1155   1HB   GLN 146          1HB       GLN 146  -2.098  19.511 -12.135
 1156   2HB   GLN 146          2HB       GLN 146  -3.735  18.969 -12.540
 1157   1HG   GLN 146          1HG       GLN 146  -2.179  18.170 -10.036
 1158   2HG   GLN 146          2HG       GLN 146  -3.426  19.405 -10.109
 1159   1HE2  GLN 146          2HE2      GLN 146  -2.835  16.037  -9.637
 1160   2HE2  GLN 146          1HE2      GLN 146  -4.510  15.517  -9.659
 1161    H    VAL 147           H        VAL 147  -3.965  16.736 -14.401
 1162    HA   VAL 147           HA       VAL 147  -2.661  17.672 -16.863
 1163    HB   VAL 147           HB       VAL 147  -3.107  15.299 -17.767
 1164   1HG1  VAL 147          1HG1      VAL 147  -0.832  16.235 -17.403
 1165   2HG1  VAL 147          2HG1      VAL 147  -0.836  15.575 -15.753
 1166   3HG1  VAL 147          3HG1      VAL 147  -0.901  14.486 -17.148
 1167   1HG2  VAL 147          1HG2      VAL 147  -2.935  13.417 -16.194
 1168   2HG2  VAL 147          2HG2      VAL 147  -2.915  14.522 -14.804
 1169   3HG2  VAL 147          3HG2      VAL 147  -4.371  14.381 -15.820
  Start of MODEL   19
    1    H    MET   1           H        MET   1  -5.973  10.805 -16.035
    2    HA   MET   1           HA       MET   1  -4.541  10.420 -14.234
    3   1HB   MET   1          1HB       MET   1  -6.523  11.975 -13.985
    4   2HB   MET   1          2HB       MET   1  -7.392  10.685 -13.157
    5   1HG   MET   1          1HG       MET   1  -4.689  11.715 -12.205
    6   2HG   MET   1          2HG       MET   1  -6.198  12.515 -11.785
    7   1HE   MET   1          1HE       MET   1  -3.962  11.410  -9.745
    8   2HE   MET   1          2HE       MET   1  -5.405  12.259  -9.141
    9   3HE   MET   1          3HE       MET   1  -4.960  10.673  -8.468
   10    H    PHE   2           H        PHE   2  -3.818   9.095 -12.517
   11    HA   PHE   2           HA       PHE   2  -4.506   6.309 -12.590
   12   1HB   PHE   2          1HB       PHE   2  -2.791   7.823 -10.581
   13   2HB   PHE   2          2HB       PHE   2  -2.768   6.101 -10.927
   14    HD1  PHE   2           HD1      PHE   2  -1.920   5.293 -13.194
   15    HD2  PHE   2           HD2      PHE   2  -1.424   9.354 -11.824
   16    HE1  PHE   2           HE1      PHE   2  -0.111   5.635 -14.855
   17    HE2  PHE   2           HE2      PHE   2   0.371   9.698 -13.498
   18    HZ   PHE   2           HZ       PHE   2   1.035   7.840 -15.016
   19    H    ASN   3           H        ASN   3  -6.933   7.311 -12.044
   20    HA   ASN   3           HA       ASN   3  -7.512   8.163  -9.419
   21   1HB   ASN   3          1HB       ASN   3  -9.018   8.499 -11.344
   22   2HB   ASN   3          2HB       ASN   3  -9.321   6.759 -11.438
   23   1HD2  ASN   3          2HD2      ASN   3 -10.817   5.784  -9.909
   24   2HD2  ASN   3          1HD2      ASN   3 -11.754   6.789  -8.831
   25    H    ASN   4           H        ASN   4  -7.191   4.878 -10.683
   26    HA   ASN   4           HA       ASN   4  -8.436   3.740  -8.210
   27   1HB   ASN   4          1HB       ASN   4  -7.967   2.560 -10.995
   28   2HB   ASN   4          2HB       ASN   4  -8.425   1.627  -9.573
   29   1HD2  ASN   4          2HD2      ASN   4 -10.205   0.914 -11.005
   30   2HD2  ASN   4          1HD2      ASN   4 -11.647   1.904 -11.018
   31    H    ILE   5           H        ILE   5  -6.937   2.825  -6.806
   32    HA   ILE   5           HA       ILE   5  -4.163   2.319  -7.818
   33    HB   ILE   5           HB       ILE   5  -5.031   3.955  -5.402
   34   1HG1  ILE   5          1HG1      ILE   5  -3.631   4.791  -7.976
   35   2HG1  ILE   5          2HG1      ILE   5  -5.260   5.233  -7.470
   36   1HG2  ILE   5          1HG2      ILE   5  -2.980   2.615  -4.910
   37   2HG2  ILE   5          2HG2      ILE   5  -2.211   3.338  -6.339
   38   3HG2  ILE   5          3HG2      ILE   5  -2.647   4.329  -4.927
   39   1HD1  ILE   5          1HD1      ILE   5  -3.839   7.114  -7.153
   40   2HD1  ILE   5          2HD1      ILE   5  -4.341   6.517  -5.564
   41   3HD1  ILE   5          3HD1      ILE   5  -2.694   6.193  -6.176
   42    H    LEU   6           H        LEU   6  -3.159   0.583  -6.799
   43    HA   LEU   6           HA       LEU   6  -4.684  -0.798  -4.625
   44   1HB   LEU   6          1HB       LEU   6  -4.884  -1.934  -6.853
   45   2HB   LEU   6          2HB       LEU   6  -3.128  -2.059  -6.914
   46    HG   LEU   6           HG       LEU   6  -3.159  -3.499  -4.895
   47   1HD1  LEU   6          1HD1      LEU   6  -5.158  -2.784  -3.744
   48   2HD1  LEU   6          2HD1      LEU   6  -6.181  -3.226  -5.128
   49   3HD1  LEU   6          3HD1      LEU   6  -5.358  -4.480  -4.169
   50   1HD2  LEU   6          1HD2      LEU   6  -4.976  -4.433  -7.156
   51   2HD2  LEU   6          2HD2      LEU   6  -3.203  -4.549  -7.101
   52   3HD2  LEU   6          3HD2      LEU   6  -4.189  -5.483  -5.966
   53    H    VAL   7           H        VAL   7  -3.409  -1.499  -2.918
   54    HA   VAL   7           HA       VAL   7  -0.452  -1.228  -3.221
   55    HB   VAL   7           HB       VAL   7  -2.032  -0.949  -0.638
   56   1HG1  VAL   7          1HG1      VAL   7   0.316  -1.621  -0.395
   57   2HG1  VAL   7          2HG1      VAL   7   0.841  -0.282  -1.445
   58   3HG1  VAL   7          3HG1      VAL   7   0.117   0.049   0.137
   59   1HG2  VAL   7          1HG2      VAL   7  -1.014   1.287  -2.454
   60   2HG2  VAL   7          2HG2      VAL   7  -2.704   0.961  -2.010
   61   3HG2  VAL   7          3HG2      VAL   7  -1.568   1.501  -0.779
   62    H    VAL   8           H        VAL   8   0.751  -3.050  -2.717
   63    HA   VAL   8           HA       VAL   8  -0.768  -5.408  -1.739
   64    HB   VAL   8           HB       VAL   8   1.207  -5.555  -4.025
   65   1HG1  VAL   8          1HG1      VAL   8   0.683  -7.677  -2.876
   66   2HG1  VAL   8          2HG1      VAL   8  -1.064  -7.366  -3.080
   67   3HG1  VAL   8          3HG1      VAL   8  -0.048  -7.681  -4.482
   68   1HG2  VAL   8          1HG2      VAL   8  -0.707  -5.691  -5.595
   69   2HG2  VAL   8          2HG2      VAL   8  -1.810  -5.238  -4.278
   70   3HG2  VAL   8          3HG2      VAL   8  -0.578  -4.094  -4.872
   71    H    CYS   9           H        CYS   9   0.300  -6.700  -0.256
   72    HA   CYS   9           HA       CYS   9   3.252  -6.651  -0.212
   73   1HB   CYS   9          1HB       CYS   9   3.447  -6.136   2.145
   74   2HB   CYS   9          2HB       CYS   9   2.599  -4.816   1.332
   75    HG   CYS   9           HG       CYS   9   0.240  -5.423   2.013
   76    H    VAL  10           H        VAL  10   3.881  -8.258   1.892
   77    HA   VAL  10           HA       VAL  10   2.307 -10.744   1.307
   78    HB   VAL  10           HB       VAL  10   4.035 -11.856   2.745
   79   1HG1  VAL  10          1HG1      VAL  10   5.745 -11.914   0.925
   80   2HG1  VAL  10          2HG1      VAL  10   4.087 -12.094   0.342
   81   3HG1  VAL  10          3HG1      VAL  10   4.922 -10.542   0.145
   82   1HG2  VAL  10          1HG2      VAL  10   5.680  -9.325   2.338
   83   2HG2  VAL  10          2HG2      VAL  10   4.968  -9.842   3.892
   84   3HG2  VAL  10          3HG2      VAL  10   6.199 -10.834   3.103
   85    H    GLY  11           H        GLY  11   1.224 -11.787   3.104
   86   1HA   GLY  11          1HA       GLY  11   0.208 -11.877   5.186
   87   2HA   GLY  11          2HA       GLY  11   1.033 -10.390   5.670
   88    H    ASN  12           H        ASN  12   0.193  -8.676   3.548
   89    HA   ASN  12           HA       ASN  12  -1.454  -7.331   2.798
   90   1HB   ASN  12          1HB       ASN  12  -2.576  -9.369   1.978
   91   2HB   ASN  12          2HB       ASN  12  -3.454  -9.508   3.492
   92   1HD2  ASN  12          2HD2      ASN  12  -3.695  -6.211   3.170
   93   2HD2  ASN  12          1HD2      ASN  12  -5.197  -6.242   2.262
   94    H    ILE  13           H        ILE  13  -2.476  -8.929   5.839
   95    HA   ILE  13           HA       ILE  13  -4.298  -6.966   6.600
   96    HB   ILE  13           HB       ILE  13  -4.397  -8.187   8.706
   97   1HG1  ILE  13          1HG1      ILE  13  -2.035  -9.878   7.793
   98   2HG1  ILE  13          2HG1      ILE  13  -1.896  -8.561   8.954
   99   1HG2  ILE  13          1HG2      ILE  13  -5.480  -9.062   6.634
  100   2HG2  ILE  13          2HG2      ILE  13  -4.083 -10.127   6.369
  101   3HG2  ILE  13          3HG2      ILE  13  -5.101 -10.317   7.803
  102   1HD1  ILE  13          1HD1      ILE  13  -3.590 -11.059   9.335
  103   2HD1  ILE  13          2HD1      ILE  13  -2.077 -10.646  10.160
  104   3HD1  ILE  13          3HD1      ILE  13  -3.536  -9.679  10.450
  105    H    CYS  14           H        CYS  14  -1.397  -5.791   6.275
  106    HA   CYS  14           HA       CYS  14  -1.570  -4.163   8.750
  107   1HB   CYS  14          1HB       CYS  14   1.075  -5.426   7.880
  108   2HB   CYS  14          2HB       CYS  14   0.790  -4.339   9.244
  109    HG   CYS  14           HG       CYS  14  -1.231  -6.170  10.057
  110    H    ARG  15           H        ARG  15   1.006  -4.317   6.229
  111    HA   ARG  15           HA       ARG  15   0.925  -1.452   6.265
  112   1HB   ARG  15          1HB       ARG  15   2.884  -1.585   4.717
  113   2HB   ARG  15          2HB       ARG  15   3.020  -2.335   6.300
  114   1HG   ARG  15          1HG       ARG  15   2.538  -4.579   5.178
  115   2HG   ARG  15          2HG       ARG  15   2.731  -3.738   3.630
  116   1HD   ARG  15          1HD       ARG  15   5.039  -3.164   4.197
  117   2HD   ARG  15          2HD       ARG  15   4.826  -3.732   5.851
  118    HE   ARG  15           HE       ARG  15   4.286  -6.004   4.691
  119   1HH1  ARG  15          1HH2      ARG  15   7.113  -3.887   4.173
  120   2HH1  ARG  15          2HH2      ARG  15   7.943  -5.106   3.244
  121   1HH2  ARG  15          1HH1      ARG  15   5.617  -7.604   3.665
  122   2HH2  ARG  15          2HH1      ARG  15   7.140  -7.094   2.950
  123    H    SER  16           H        SER  16  -0.249  -3.741   3.702
  124    HA   SER  16           HA       SER  16  -0.762  -1.713   1.835
  125   1HB   SER  16          1HB       SER  16  -2.486  -4.162   2.317
  126   2HB   SER  16          2HB       SER  16  -2.487  -3.110   0.889
  127    HG   SER  16           HG       SER  16  -1.268  -4.969   0.578
  128    HA   PRO  17           HA       PRO  17  -5.048  -0.779   3.610
  129   1HB   PRO  17          1HB       PRO  17  -5.756  -1.422   6.198
  130   2HB   PRO  17          2HB       PRO  17  -6.103  -2.417   4.753
  131   1HG   PRO  17          1HG       PRO  17  -3.816  -2.707   6.711
  132   2HG   PRO  17          2HG       PRO  17  -4.880  -3.989   6.051
  133   1HD   PRO  17          1HD       PRO  17  -2.436  -3.547   4.987
  134   2HD   PRO  17          2HD       PRO  17  -3.839  -3.912   3.939
  135    H    THR  18           H        THR  18  -2.280  -0.678   5.904
  136    HA   THR  18           HA       THR  18  -3.072   1.816   7.105
  137    HB   THR  18           HB       THR  18  -0.297   0.599   6.806
  138    HG1  THR  18           1HG      THR  18  -1.496  -0.847   7.898
  139   1HG2  THR  18          1HG2      THR  18  -0.175   2.948   7.532
  140   2HG2  THR  18          2HG2      THR  18  -1.417   2.655   8.769
  141   3HG2  THR  18          3HG2      THR  18   0.180   1.879   8.896
  142    H    ALA  19           H        ALA  19  -0.918   1.014   4.295
  143    HA   ALA  19           HA       ALA  19  -0.302   3.695   3.578
  144   1HB   ALA  19          1HB       ALA  19  -0.657   1.236   1.815
  145   2HB   ALA  19          2HB       ALA  19   0.160   2.730   1.338
  146   3HB   ALA  19          3HB       ALA  19   0.837   1.702   2.634
  147    H    GLU  20           H        GLU  20  -2.961   1.517   2.538
  148    HA   GLU  20           HA       GLU  20  -4.174   3.195   0.645
  149   1HB   GLU  20          1HB       GLU  20  -4.712   0.857   0.907
  150   2HB   GLU  20          2HB       GLU  20  -5.243   1.122   2.567
  151   1HG   GLU  20          1HG       GLU  20  -7.040   2.728   1.352
  152   2HG   GLU  20          2HG       GLU  20  -6.677   1.653   0.008
  153    H    ARG  21           H        ARG  21  -4.993   2.858   4.186
  154    HA   ARG  21           HA       ARG  21  -6.957   4.920   4.053
  155   1HB   ARG  21          1HB       ARG  21  -5.328   3.795   6.371
  156   2HB   ARG  21          2HB       ARG  21  -6.625   4.962   6.561
  157   1HG   ARG  21          1HG       ARG  21  -6.948   2.143   5.474
  158   2HG   ARG  21          2HG       ARG  21  -7.416   2.765   7.056
  159   1HD   ARG  21          1HD       ARG  21  -8.866   4.464   5.583
  160   2HD   ARG  21          2HD       ARG  21  -8.746   3.178   4.379
  161    HE   ARG  21           HE       ARG  21 -10.093   3.154   7.004
  162   1HH1  ARG  21          1HH2      ARG  21  -9.086   0.996   4.273
  163   2HH1  ARG  21          2HH2      ARG  21  -9.852  -0.365   5.013
  164   1HH2  ARG  21          1HH1      ARG  21 -11.052   1.387   7.838
  165   2HH2  ARG  21          2HH1      ARG  21 -11.013  -0.168   7.026
  166    H    LEU  22           H        LEU  22  -3.430   5.100   4.674
  167    HA   LEU  22           HA       LEU  22  -3.455   7.878   5.430
  168   1HB   LEU  22          1HB       LEU  22  -1.344   6.046   4.233
  169   2HB   LEU  22          2HB       LEU  22  -1.022   7.735   4.615
  170    HG   LEU  22           HG       LEU  22  -2.127   5.875   6.751
  171   1HD1  LEU  22          1HD1      LEU  22   0.776   6.279   5.960
  172   2HD1  LEU  22          2HD1      LEU  22   0.246   5.546   7.489
  173   3HD1  LEU  22          3HD1      LEU  22  -0.122   4.767   5.940
  174   1HD2  LEU  22          1HD2      LEU  22  -2.191   8.295   7.203
  175   2HD2  LEU  22          2HD2      LEU  22  -1.003   7.494   8.233
  176   3HD2  LEU  22          3HD2      LEU  22  -0.462   8.429   6.830
  177    H    LEU  23           H        LEU  23  -3.091   6.233   2.243
  178    HA   LEU  23           HA       LEU  23  -2.800   8.642   0.719
  179   1HB   LEU  23          1HB       LEU  23  -3.848   5.871   0.031
  180   2HB   LEU  23          2HB       LEU  23  -3.703   7.161  -1.159
  181    HG   LEU  23           HG       LEU  23  -1.281   6.337   0.458
  182   1HD1  LEU  23          1HD1      LEU  23  -2.128   4.263  -0.515
  183   2HD1  LEU  23          2HD1      LEU  23  -2.265   5.039  -2.119
  184   3HD1  LEU  23          3HD1      LEU  23  -0.683   4.772  -1.365
  185   1HD2  LEU  23          1HD2      LEU  23  -1.645   7.550  -2.322
  186   2HD2  LEU  23          2HD2      LEU  23  -1.159   8.434  -0.861
  187   3HD2  LEU  23          3HD2      LEU  23  -0.101   7.190  -1.535
  188    H    GLN  24           H        GLN  24  -5.726   6.777   1.735
  189    HA   GLN  24           HA       GLN  24  -7.602   8.455   0.380
  190   1HB   GLN  24          1HB       GLN  24  -7.828   6.708   2.866
  191   2HB   GLN  24          2HB       GLN  24  -9.187   7.589   2.202
  192   1HG   GLN  24          1HG       GLN  24  -7.604   5.450   0.712
  193   2HG   GLN  24          2HG       GLN  24  -9.156   5.217   1.510
  194   1HE2  GLN  24          2HE2      GLN  24 -10.722   7.344   0.715
  195   2HE2  GLN  24          1HE2      GLN  24 -10.811   7.423  -1.040
  196    H    ARG  25           H        ARG  25  -6.082   8.724   3.672
  197    HA   ARG  25           HA       ARG  25  -7.628  10.935   4.496
  198   1HB   ARG  25          1HB       ARG  25  -6.121   9.559   5.950
  199   2HB   ARG  25          2HB       ARG  25  -4.717  10.339   5.210
  200   1HG   ARG  25          1HG       ARG  25  -5.518  12.556   6.050
  201   2HG   ARG  25          2HG       ARG  25  -6.933  11.755   6.749
  202   1HD   ARG  25          1HD       ARG  25  -5.386  12.069   8.531
  203   2HD   ARG  25          2HD       ARG  25  -5.374  10.345   8.131
  204    HE   ARG  25           HE       ARG  25  -3.326  11.960   6.791
  205   1HH1  ARG  25          1HH2      ARG  25  -4.038  10.049   9.714
  206   2HH1  ARG  25          2HH2      ARG  25  -2.376   9.655  10.013
  207   1HH2  ARG  25          1HH1      ARG  25  -1.099  11.636   7.372
  208   2HH2  ARG  25          2HH1      ARG  25  -0.701  10.720   8.778
  209    H    TYR  26           H        TYR  26  -4.439  10.879   2.800
  210    HA   TYR  26           HA       TYR  26  -4.383  13.736   2.594
  211   1HB   TYR  26          1HB       TYR  26  -2.747  11.574   1.232
  212   2HB   TYR  26          2HB       TYR  26  -2.463  13.303   1.032
  213    HD1  TYR  26           HD1      TYR  26  -1.407  10.520   2.905
  214    HD2  TYR  26           HD2      TYR  26  -2.323  14.719   3.286
  215    HE1  TYR  26           HE1      TYR  26  -0.044  10.628   4.973
  216    HE2  TYR  26           HE2      TYR  26  -0.972  14.836   5.349
  217    HH   TYR  26           HH       TYR  26   0.348  13.663   6.863
  218    H    HIS  27           H        HIS  27  -5.723  11.276   0.386
  219    HA   HIS  27           HA       HIS  27  -6.604  13.446  -1.428
  220   1HB   HIS  27          1HB       HIS  27  -4.316  12.239  -1.973
  221   2HB   HIS  27          2HB       HIS  27  -5.331  10.952  -2.568
  222    HD1  HIS  27           HD1      HIS  27  -7.376  13.680  -3.679
  223    HD2  HIS  27           HD2      HIS  27  -3.424  12.467  -4.503
  224    HE1  HIS  27           HE1      HIS  27  -6.763  14.688  -5.927
  225    HA   PRO  28           HA       PRO  28  -9.679  10.164  -0.149
  226   1HB   PRO  28          1HB       PRO  28 -11.826  11.795   0.477
  227   2HB   PRO  28          2HB       PRO  28 -10.497  11.409   1.605
  228   1HG   PRO  28          1HG       PRO  28 -10.792  13.851  -0.165
  229   2HG   PRO  28          2HG       PRO  28 -10.372  13.790   1.578
  230   1HD   PRO  28          1HD       PRO  28  -8.456  14.044  -0.317
  231   2HD   PRO  28          2HD       PRO  28  -8.188  13.007   1.114
  232    H    GLU  29           H        GLU  29  -9.712  12.550  -2.655
  233    HA   GLU  29           HA       GLU  29 -12.207  11.906  -3.909
  234   1HB   GLU  29          1HB       GLU  29  -9.613  12.919  -5.177
  235   2HB   GLU  29          2HB       GLU  29 -11.224  12.982  -5.868
  236   1HG   GLU  29          1HG       GLU  29 -10.882  15.146  -5.133
  237   2HG   GLU  29          2HG       GLU  29 -11.930  14.444  -3.905
  238    H    LEU  30           H        LEU  30  -9.172  10.168  -3.681
  239    HA   LEU  30           HA       LEU  30  -9.493   8.830  -6.287
  240   1HB   LEU  30          1HB       LEU  30  -7.341   8.452  -4.174
  241   2HB   LEU  30          2HB       LEU  30  -7.308   7.887  -5.850
  242    HG   LEU  30           HG       LEU  30  -7.122  10.751  -4.870
  243   1HD1  LEU  30          1HD1      LEU  30  -5.065   9.397  -4.747
  244   2HD1  LEU  30          2HD1      LEU  30  -5.237   8.960  -6.462
  245   3HD1  LEU  30          3HD1      LEU  30  -4.923  10.641  -6.001
  246   1HD2  LEU  30          1HD2      LEU  30  -7.297   9.790  -7.758
  247   2HD2  LEU  30          2HD2      LEU  30  -8.500  10.792  -6.916
  248   3HD2  LEU  30          3HD2      LEU  30  -6.896  11.440  -7.221
  249    H    LYS  31           H        LYS  31  -8.976   6.416  -6.298
  250    HA   LYS  31           HA       LYS  31 -10.668   5.021  -4.255
  251   1HB   LYS  31          1HB       LYS  31 -11.834   5.150  -6.336
  252   2HB   LYS  31          2HB       LYS  31 -10.403   4.745  -7.266
  253   1HG   LYS  31          1HG       LYS  31 -12.157   2.963  -7.140
  254   2HG   LYS  31          2HG       LYS  31 -10.526   2.460  -6.760
  255   1HD   LYS  31          1HD       LYS  31 -12.139   1.389  -5.303
  256   2HD   LYS  31          2HD       LYS  31 -11.032   2.397  -4.370
  257   1HE   LYS  31          1HE       LYS  31 -12.712   4.122  -4.088
  258   2HE   LYS  31          2HE       LYS  31 -13.817   3.313  -5.209
  259   1HZ   LYS  31          1HZ       LYS  31 -12.876   1.977  -2.738
  260   2HZ   LYS  31          2HZ       LYS  31 -14.220   2.939  -2.755
  261   3HZ   LYS  31          3HZ       LYS  31 -14.159   1.591  -3.668
  262    H    VAL  32           H        VAL  32  -8.790   4.746  -2.950
  263    HA   VAL  32           HA       VAL  32  -6.660   3.024  -4.077
  264    HB   VAL  32           HB       VAL  32  -6.748   4.307  -1.326
  265   1HG1  VAL  32          1HG1      VAL  32  -4.454   3.249  -3.039
  266   2HG1  VAL  32          2HG1      VAL  32  -4.315   3.983  -1.433
  267   3HG1  VAL  32          3HG1      VAL  32  -5.144   2.438  -1.625
  268   1HG2  VAL  32          1HG2      VAL  32  -5.279   6.077  -2.198
  269   2HG2  VAL  32          2HG2      VAL  32  -5.452   5.454  -3.844
  270   3HG2  VAL  32          3HG2      VAL  32  -6.834   6.159  -2.994
  271    H    GLU  33           H        GLU  33  -6.562   0.879  -3.508
  272    HA   GLU  33           HA       GLU  33  -8.084  -0.070  -1.123
  273   1HB   GLU  33          1HB       GLU  33  -8.154  -1.330  -3.890
  274   2HB   GLU  33          2HB       GLU  33  -8.850  -2.036  -2.440
  275   1HG   GLU  33          1HG       GLU  33  -9.764   0.536  -3.777
  276   2HG   GLU  33          2HG       GLU  33 -10.550  -1.025  -3.881
  277    H    SER  34           H        SER  34  -7.414  -2.574  -0.893
  278    HA   SER  34           HA       SER  34  -4.431  -2.711  -1.103
  279   1HB   SER  34          1HB       SER  34  -6.269  -3.304   1.239
  280   2HB   SER  34          2HB       SER  34  -4.539  -3.630   1.223
  281    HG   SER  34           HG       SER  34  -5.998  -1.235   1.235
  282    H    ALA  35           H        ALA  35  -3.506  -4.833  -0.999
  283    HA   ALA  35           HA       ALA  35  -5.158  -7.214  -0.739
  284   1HB   ALA  35          1HB       ALA  35  -5.503  -6.689  -3.148
  285   2HB   ALA  35          2HB       ALA  35  -3.741  -6.623  -3.392
  286   3HB   ALA  35          3HB       ALA  35  -4.539  -8.152  -2.958
  287    H    GLY  36           H        GLY  36  -3.469  -9.187  -1.306
  288   1HA   GLY  36          1HA       GLY  36  -0.685  -8.340  -1.002
  289   2HA   GLY  36          2HA       GLY  36  -1.294  -9.366   0.284
  290    H    LEU  37           H        LEU  37   0.904 -10.000  -1.217
  291    HA   LEU  37           HA       LEU  37   0.315 -11.890  -3.357
  292   1HB   LEU  37          1HB       LEU  37   2.714 -11.208  -1.625
  293   2HB   LEU  37          2HB       LEU  37   2.752 -12.618  -2.672
  294    HG   LEU  37           HG       LEU  37   1.957  -9.935  -3.838
  295   1HD1  LEU  37          1HD1      LEU  37   4.816 -10.885  -3.405
  296   2HD1  LEU  37          2HD1      LEU  37   4.314  -9.488  -4.395
  297   3HD1  LEU  37          3HD1      LEU  37   4.047  -9.477  -2.647
  298   1HD2  LEU  37          1HD2      LEU  37   2.895 -10.909  -5.890
  299   2HD2  LEU  37          2HD2      LEU  37   3.441 -12.343  -4.993
  300   3HD2  LEU  37          3HD2      LEU  37   1.716 -12.032  -5.197
  301    H    GLY  38           H        GLY  38   1.353 -12.224   0.052
  302   1HA   GLY  38          1HA       GLY  38   0.080 -14.930   0.194
  303   2HA   GLY  38          2HA       GLY  38   1.366 -14.325   1.255
  304    H    ALA  39           H        ALA  39  -1.818 -13.100   0.071
  305    HA   ALA  39           HA       ALA  39  -2.356 -11.663   2.524
  306   1HB   ALA  39          1HB       ALA  39  -4.290 -12.498   0.325
  307   2HB   ALA  39          2HB       ALA  39  -4.519 -11.190   1.489
  308   3HB   ALA  39          3HB       ALA  39  -3.272 -11.040   0.246
  309    H    LEU  40           H        LEU  40  -4.466 -12.011   3.679
  310    HA   LEU  40           HA       LEU  40  -5.011 -14.909   4.215
  311   1HB   LEU  40          1HB       LEU  40  -4.765 -12.554   6.137
  312   2HB   LEU  40          2HB       LEU  40  -5.294 -14.172   6.586
  313    HG   LEU  40           HG       LEU  40  -2.533 -13.523   5.456
  314   1HD1  LEU  40          1HD1      LEU  40  -2.841 -12.446   7.605
  315   2HD1  LEU  40          2HD1      LEU  40  -3.431 -13.961   8.332
  316   3HD1  LEU  40          3HD1      LEU  40  -1.749 -13.823   7.772
  317   1HD2  LEU  40          1HD2      LEU  40  -3.610 -16.058   6.777
  318   2HD2  LEU  40          2HD2      LEU  40  -3.168 -15.874   5.062
  319   3HD2  LEU  40          3HD2      LEU  40  -1.922 -15.766   6.305
  320    H    VAL  41           H        VAL  41  -6.732 -14.783   2.722
  321    HA   VAL  41           HA       VAL  41  -8.388 -12.684   2.263
  322    HB   VAL  41           HB       VAL  41  -9.278 -15.585   2.127
  323   1HG1  VAL  41          1HG1      VAL  41 -10.037 -13.132   0.466
  324   2HG1  VAL  41          2HG1      VAL  41 -10.592 -14.797   0.179
  325   3HG1  VAL  41          3HG1      VAL  41 -11.073 -13.952   1.651
  326   1HG2  VAL  41          1HG2      VAL  41  -8.357 -15.520  -0.214
  327   2HG2  VAL  41          2HG2      VAL  41  -7.546 -13.992   0.184
  328   3HG2  VAL  41          3HG2      VAL  41  -7.113 -15.495   1.027
  329    H    GLY  42           H        GLY  42  -9.798 -11.530   3.406
  330   1HA   GLY  42          1HA       GLY  42 -11.558 -11.004   4.737
  331   2HA   GLY  42          2HA       GLY  42 -11.934 -12.723   4.851
  332    H    LYS  43           H        LYS  43  -8.730 -12.091   6.096
  333    HA   LYS  43           HA       LYS  43  -9.692 -12.781   8.748
  334   1HB   LYS  43          1HB       LYS  43  -6.995 -12.342   7.492
  335   2HB   LYS  43          2HB       LYS  43  -7.102 -12.138   9.227
  336   1HG   LYS  43          1HG       LYS  43  -6.486 -14.435   8.672
  337   2HG   LYS  43          2HG       LYS  43  -8.011 -14.350   9.561
  338   1HD   LYS  43          1HD       LYS  43  -9.267 -14.574   7.431
  339   2HD   LYS  43          2HD       LYS  43  -7.756 -14.705   6.546
  340   1HE   LYS  43          1HE       LYS  43  -8.774 -16.608   8.720
  341   2HE   LYS  43          2HE       LYS  43  -8.906 -16.895   6.986
  342   1HZ   LYS  43          1HZ       LYS  43  -6.488 -16.987   6.866
  343   2HZ   LYS  43          2HZ       LYS  43  -6.354 -16.721   8.484
  344   3HZ   LYS  43          3HZ       LYS  43  -7.047 -18.081   7.929
  345    H    GLY  44           H        GLY  44  -9.484  -9.686   7.269
  346   1HA   GLY  44          1HA       GLY  44  -9.840  -7.615   8.211
  347   2HA   GLY  44          2HA       GLY  44  -9.914  -8.342   9.818
  348    H    ALA  45           H        ALA  45  -8.550  -6.055   9.590
  349    HA   ALA  45           HA       ALA  45  -5.746  -6.324   8.966
  350   1HB   ALA  45          1HB       ALA  45  -7.229  -4.262  10.654
  351   2HB   ALA  45          2HB       ALA  45  -5.546  -4.139  10.106
  352   3HB   ALA  45          3HB       ALA  45  -6.862  -4.136   8.916
  353    H    ASP  46           H        ASP  46  -3.990  -6.338  10.479
  354    HA   ASP  46           HA       ASP  46  -4.300  -8.037  12.801
  355   1HB   ASP  46          1HB       ASP  46  -2.195  -7.888  11.494
  356   2HB   ASP  46          2HB       ASP  46  -2.016  -6.197  11.973
  357    HA   PRO  47           HA       PRO  47  -5.894  -4.777  15.327
  358   1HB   PRO  47          1HB       PRO  47  -5.339  -5.657  17.900
  359   2HB   PRO  47          2HB       PRO  47  -6.658  -6.272  16.860
  360   1HG   PRO  47          1HG       PRO  47  -3.891  -7.444  17.254
  361   2HG   PRO  47          2HG       PRO  47  -5.471  -8.295  17.278
  362   1HD   PRO  47          1HD       PRO  47  -3.915  -8.303  15.069
  363   2HD   PRO  47          2HD       PRO  47  -5.688  -8.129  14.916
  364    H    THR  48           H        THR  48  -2.452  -5.481  15.369
  365    HA   THR  48           HA       THR  48  -1.785  -3.257  17.146
  366    HB   THR  48           HB       THR  48   0.135  -4.424  15.141
  367    HG1  THR  48           1HG      THR  48  -0.772  -6.219  15.822
  368   1HG2  THR  48          1HG2      THR  48   0.919  -2.674  16.687
  369   2HG2  THR  48          2HG2      THR  48   0.386  -3.636  18.083
  370   3HG2  THR  48          3HG2      THR  48   1.710  -4.218  17.050
  371    H    ALA  49           H        ALA  49  -2.198  -3.865  13.631
  372    HA   ALA  49           HA       ALA  49  -1.248  -1.279  12.764
  373   1HB   ALA  49          1HB       ALA  49  -2.406  -1.857  10.670
  374   2HB   ALA  49          2HB       ALA  49  -1.474  -3.252  11.253
  375   3HB   ALA  49          3HB       ALA  49  -3.230  -3.213  11.469
  376    H    ILE  50           H        ILE  50  -4.467  -2.654  13.627
  377    HA   ILE  50           HA       ILE  50  -5.963  -0.299  13.147
  378    HB   ILE  50           HB       ILE  50  -6.511  -2.337  15.321
  379   1HG1  ILE  50          1HG1      ILE  50  -7.366  -2.405  12.392
  380   2HG1  ILE  50          2HG1      ILE  50  -6.223  -3.495  13.146
  381   1HG2  ILE  50          1HG2      ILE  50  -8.874  -1.630  15.065
  382   2HG2  ILE  50          2HG2      ILE  50  -7.872  -0.250  15.460
  383   3HG2  ILE  50          3HG2      ILE  50  -8.398  -0.490  13.784
  384   1HD1  ILE  50          1HD1      ILE  50  -9.204  -3.370  13.658
  385   2HD1  ILE  50          2HD1      ILE  50  -8.261  -4.683  12.947
  386   3HD1  ILE  50          3HD1      ILE  50  -8.072  -4.303  14.669
  387    H    SER  51           H        SER  51  -4.338  -1.429  16.173
  388    HA   SER  51           HA       SER  51  -5.143   0.746  17.770
  389   1HB   SER  51          1HB       SER  51  -2.598  -0.918  17.999
  390   2HB   SER  51          2HB       SER  51  -3.341   0.062  19.275
  391    HG   SER  51           HG       SER  51  -4.381  -2.266  18.014
  392    H    VAL  52           H        VAL  52  -2.017   0.330  15.947
  393    HA   VAL  52           HA       VAL  52  -1.023   2.878  16.696
  394    HB   VAL  52           HB       VAL  52  -0.372   0.988  14.411
  395   1HG1  VAL  52          1HG1      VAL  52   1.184   3.487  15.210
  396   2HG1  VAL  52          2HG1      VAL  52   1.721   2.227  14.072
  397   3HG1  VAL  52          3HG1      VAL  52   0.334   3.234  13.670
  398   1HG2  VAL  52          1HG2      VAL  52   0.170   0.184  16.699
  399   2HG2  VAL  52          2HG2      VAL  52   1.657   0.577  15.833
  400   3HG2  VAL  52          3HG2      VAL  52   1.024   1.697  17.044
  401    H    ALA  53           H        ALA  53  -3.201   1.955  13.945
  402    HA   ALA  53           HA       ALA  53  -3.030   4.586  12.755
  403   1HB   ALA  53          1HB       ALA  53  -3.745   2.605  11.492
  404   2HB   ALA  53          2HB       ALA  53  -5.163   2.434  12.559
  405   3HB   ALA  53          3HB       ALA  53  -5.009   3.853  11.499
  406    H    ALA  54           H        ALA  54  -5.279   3.075  15.155
  407    HA   ALA  54           HA       ALA  54  -7.020   5.329  15.357
  408   1HB   ALA  54          1HB       ALA  54  -6.357   3.169  17.414
  409   2HB   ALA  54          2HB       ALA  54  -7.749   4.270  17.463
  410   3HB   ALA  54          3HB       ALA  54  -7.619   3.069  16.163
  411    H    GLU  55           H        GLU  55  -3.956   4.481  17.053
  412    HA   GLU  55           HA       GLU  55  -3.922   6.712  18.809
  413   1HB   GLU  55          1HB       GLU  55  -1.781   4.942  17.592
  414   2HB   GLU  55          2HB       GLU  55  -1.368   6.242  18.710
  415   1HG   GLU  55          1HG       GLU  55  -2.466   5.260  20.524
  416   2HG   GLU  55          2HG       GLU  55  -3.512   4.274  19.516
  417    H    HIS  56           H        HIS  56  -3.806   6.757  15.415
  418    HA   HIS  56           HA       HIS  56  -2.928   9.600  15.413
  419   1HB   HIS  56          1HB       HIS  56  -2.423   7.373  13.420
  420   2HB   HIS  56          2HB       HIS  56  -2.333   9.074  12.971
  421    HD1  HIS  56           HD1      HIS  56  -0.144  10.385  13.588
  422    HD2  HIS  56           HD2      HIS  56  -0.505   6.584  15.354
  423    HE1  HIS  56           HE1      HIS  56   2.091   9.896  14.703
  424    H    GLN  57           H        GLN  57  -5.595   8.034  15.742
  425    HA   GLN  57           HA       GLN  57  -7.749   8.207  15.089
  426   1HB   GLN  57          1HB       GLN  57  -6.879  11.058  14.452
  427   2HB   GLN  57          2HB       GLN  57  -8.535  10.535  14.748
  428   1HG   GLN  57          1HG       GLN  57  -6.300  10.342  16.823
  429   2HG   GLN  57          2HG       GLN  57  -7.426  11.680  16.677
  430   1HE2  GLN  57          2HE2      GLN  57  -7.186   8.189  17.512
  431   2HE2  GLN  57          1HE2      GLN  57  -8.723   8.137  18.340
  432    H    LEU  58           H        LEU  58  -6.327   6.900  13.128
  433    HA   LEU  58           HA       LEU  58  -7.904   7.754  10.738
  434   1HB   LEU  58          1HB       LEU  58  -5.151   7.296  10.859
  435   2HB   LEU  58          2HB       LEU  58  -5.775   5.749  10.297
  436    HG   LEU  58           HG       LEU  58  -6.174   8.488   9.046
  437   1HD1  LEU  58          1HD1      LEU  58  -4.815   5.973   7.994
  438   2HD1  LEU  58          2HD1      LEU  58  -4.921   7.552   7.178
  439   3HD1  LEU  58          3HD1      LEU  58  -3.989   7.386   8.673
  440   1HD2  LEU  58          1HD2      LEU  58  -7.539   5.878   8.326
  441   2HD2  LEU  58          2HD2      LEU  58  -8.269   7.475   8.591
  442   3HD2  LEU  58          3HD2      LEU  58  -7.310   7.198   7.148
  443    H    SER  59           H        SER  59  -9.502   6.399  10.131
  444    HA   SER  59           HA       SER  59 -10.209   4.309  11.928
  445   1HB   SER  59          1HB       SER  59 -11.563   5.173   9.335
  446   2HB   SER  59          2HB       SER  59 -12.304   4.297  10.688
  447    HG   SER  59           HG       SER  59 -12.750   6.549  10.751
  448    H    LEU  60           H        LEU  60  -8.437   2.802  11.573
  449    HA   LEU  60           HA       LEU  60  -8.314   1.333   9.001
  450   1HB   LEU  60          1HB       LEU  60  -6.400   2.273  10.470
  451   2HB   LEU  60          2HB       LEU  60  -6.718   0.950  11.564
  452    HG   LEU  60           HG       LEU  60  -4.736   0.713  10.186
  453   1HD1  LEU  60          1HD1      LEU  60  -4.837  -1.512   9.411
  454   2HD1  LEU  60          2HD1      LEU  60  -5.864  -1.404  10.846
  455   3HD1  LEU  60          3HD1      LEU  60  -6.596  -1.462   9.223
  456   1HD2  LEU  60          1HD2      LEU  60  -5.481   1.935   8.201
  457   2HD2  LEU  60          2HD2      LEU  60  -4.791   0.359   7.802
  458   3HD2  LEU  60          3HD2      LEU  60  -6.548   0.575   7.752
  459    H    GLU  61           H        GLU  61 -10.634   1.278  11.119
  460    HA   GLU  61           HA       GLU  61 -10.507  -0.889  12.777
  461   1HB   GLU  61          1HB       GLU  61 -12.958   0.256  11.390
  462   2HB   GLU  61          2HB       GLU  61 -12.990  -0.793  12.815
  463   1HG   GLU  61          1HG       GLU  61 -11.620   0.888  14.062
  464   2HG   GLU  61          2HG       GLU  61 -11.708   1.969  12.669
  465    H    GLY  62           H        GLY  62 -10.988  -1.261   9.295
  466   1HA   GLY  62          1HA       GLY  62 -10.610  -4.054   9.554
  467   2HA   GLY  62          2HA       GLY  62 -12.304  -3.711   9.147
  468    H    HIS  63           H        HIS  63 -10.417  -5.031   7.565
  469    HA   HIS  63           HA       HIS  63 -10.815  -3.654   5.030
  470   1HB   HIS  63          1HB       HIS  63  -8.589  -2.846   5.411
  471   2HB   HIS  63          2HB       HIS  63  -8.069  -4.373   6.125
  472    HD1  HIS  63           HD1      HIS  63  -9.466  -3.468   2.566
  473    HD2  HIS  63           HD2      HIS  63  -6.589  -5.779   4.595
  474    HE1  HIS  63           HE1      HIS  63  -8.265  -4.843   0.795
  475    H    CYS  64           H        CYS  64 -11.619  -5.217   3.673
  476    HA   CYS  64           HA       CYS  64 -11.517  -8.043   4.390
  477   1HB   CYS  64          1HB       CYS  64 -12.479  -6.651   1.850
  478   2HB   CYS  64          2HB       CYS  64 -12.718  -8.354   2.257
  479    HG   CYS  64           HG       CYS  64 -14.962  -7.043   2.603
  480    H    ALA  65           H        ALA  65  -9.264  -8.514   4.481
  481    HA   ALA  65           HA       ALA  65  -7.395  -8.025   2.403
  482   1HB   ALA  65          1HB       ALA  65  -6.162  -9.940   3.517
  483   2HB   ALA  65          2HB       ALA  65  -6.653  -8.630   4.609
  484   3HB   ALA  65          3HB       ALA  65  -7.573 -10.149   4.572
  485    H    ARG  66           H        ARG  66  -6.481  -9.506   0.862
  486    HA   ARG  66           HA       ARG  66  -8.056 -11.754  -0.136
  487   1HB   ARG  66          1HB       ARG  66  -8.803 -10.586  -2.219
  488   2HB   ARG  66          2HB       ARG  66  -9.597  -9.973  -0.771
  489   1HG   ARG  66          1HG       ARG  66  -7.895  -8.066  -0.743
  490   2HG   ARG  66          2HG       ARG  66  -7.332  -8.646  -2.316
  491   1HD   ARG  66          1HD       ARG  66  -9.581  -8.259  -3.257
  492   2HD   ARG  66          2HD       ARG  66 -10.156  -7.709  -1.663
  493    HE   ARG  66           HE       ARG  66  -8.014  -6.133  -1.959
  494   1HH1  ARG  66          1HH1      ARG  66 -10.708  -6.644  -4.254
  495   2HH1  ARG  66          2HH1      ARG  66 -10.390  -5.160  -5.093
  496   1HH2  ARG  66          1HH2      ARG  66  -7.627  -4.296  -3.059
  497   2HH2  ARG  66          2HH2      ARG  66  -8.639  -3.792  -4.405
  498    H    GLN  67           H        GLN  67  -6.885 -12.812  -1.846
  499    HA   GLN  67           HA       GLN  67  -4.078 -12.037  -2.016
  500   1HB   GLN  67          1HB       GLN  67  -5.645 -14.360  -3.190
  501   2HB   GLN  67          2HB       GLN  67  -4.000 -13.965  -3.699
  502   1HG   GLN  67          1HG       GLN  67  -3.325 -14.030  -1.231
  503   2HG   GLN  67          2HG       GLN  67  -4.891 -14.790  -0.918
  504   1HE2  GLN  67          2HE2      GLN  67  -1.665 -15.161  -2.375
  505   2HE2  GLN  67          1HE2      GLN  67  -1.809 -16.870  -2.717
  506    H    ILE  68           H        ILE  68  -3.014 -11.195  -3.636
  507    HA   ILE  68           HA       ILE  68  -4.281  -9.597  -5.582
  508    HB   ILE  68           HB       ILE  68  -1.973  -9.337  -4.720
  509   1HG1  ILE  68          1HG1      ILE  68  -0.832  -8.758  -6.824
  510   2HG1  ILE  68          2HG1      ILE  68  -2.058  -9.620  -7.756
  511   1HG2  ILE  68          1HG2      ILE  68  -0.114 -10.625  -5.444
  512   2HG2  ILE  68          2HG2      ILE  68  -1.307 -11.762  -4.778
  513   3HG2  ILE  68          3HG2      ILE  68  -1.107 -11.613  -6.529
  514   1HD1  ILE  68          1HD1      ILE  68  -2.375  -7.122  -7.660
  515   2HD1  ILE  68          2HD1      ILE  68  -3.774  -8.016  -7.053
  516   3HD1  ILE  68          3HD1      ILE  68  -2.636  -7.261  -5.911
  517    H    SER  69           H        SER  69  -4.886 -10.010  -7.689
  518    HA   SER  69           HA       SER  69  -4.746 -12.750  -8.770
  519   1HB   SER  69          1HB       SER  69  -7.361 -11.285  -8.148
  520   2HB   SER  69          2HB       SER  69  -7.213 -12.827  -9.008
  521    HG   SER  69           HG       SER  69  -6.573 -12.270  -6.289
  522    H    ARG  70           H        ARG  70  -5.471 -12.698 -11.114
  523    HA   ARG  70           HA       ARG  70  -4.241 -10.487 -12.350
  524   1HB   ARG  70          1HB       ARG  70  -4.632 -12.904 -13.237
  525   2HB   ARG  70          2HB       ARG  70  -6.219 -12.344 -13.751
  526   1HG   ARG  70          1HG       ARG  70  -4.681 -12.274 -15.612
  527   2HG   ARG  70          2HG       ARG  70  -5.096 -10.607 -15.192
  528   1HD   ARG  70          1HD       ARG  70  -2.980 -10.245 -14.120
  529   2HD   ARG  70          2HD       ARG  70  -2.610 -11.969 -14.076
  530    HE   ARG  70           HE       ARG  70  -2.314 -10.103 -16.334
  531   1HH1  ARG  70          1HH2      ARG  70  -2.413 -13.555 -15.448
  532   2HH1  ARG  70          2HH2      ARG  70  -1.445 -14.053 -16.784
  533   1HH2  ARG  70          1HH1      ARG  70  -0.847 -10.710 -17.870
  534   2HH2  ARG  70          2HH1      ARG  70  -0.600 -12.391 -18.288
  535    H    ARG  71           H        ARG  71  -7.730 -11.130 -11.832
  536    HA   ARG  71           HA       ARG  71  -8.697  -8.877 -13.285
  537   1HB   ARG  71          1HB       ARG  71  -9.855 -10.203 -10.784
  538   2HB   ARG  71          2HB       ARG  71 -10.716  -9.082 -11.832
  539   1HG   ARG  71          1HG       ARG  71  -9.688 -11.836 -12.652
  540   2HG   ARG  71          2HG       ARG  71 -11.355 -11.415 -12.248
  541   1HD   ARG  71          1HD       ARG  71 -11.418  -9.825 -14.156
  542   2HD   ARG  71          2HD       ARG  71  -9.764 -10.303 -14.597
  543    HE   ARG  71           HE       ARG  71 -11.240 -12.666 -14.438
  544   1HH1  ARG  71          1HH2      ARG  71 -11.330  -9.720 -16.418
  545   2HH1  ARG  71          2HH2      ARG  71 -11.973 -10.504 -17.812
  546   1HH2  ARG  71          1HH1      ARG  71 -12.108 -13.713 -16.292
  547   2HH2  ARG  71          2HH1      ARG  71 -12.428 -12.826 -17.732
  548    H    LEU  72           H        LEU  72  -7.644  -9.144  -9.848
  549    HA   LEU  72           HA       LEU  72  -8.164  -6.448  -9.132
  550   1HB   LEU  72          1HB       LEU  72  -6.362  -8.636  -8.109
  551   2HB   LEU  72          2HB       LEU  72  -5.913  -6.984  -7.714
  552    HG   LEU  72           HG       LEU  72  -8.108  -6.568  -6.758
  553   1HD1  LEU  72          1HD1      LEU  72  -8.636  -9.542  -7.194
  554   2HD1  LEU  72          2HD1      LEU  72  -9.633  -8.452  -6.214
  555   3HD1  LEU  72          3HD1      LEU  72  -9.517  -8.198  -7.956
  556   1HD2  LEU  72          1HD2      LEU  72  -6.673  -9.016  -5.624
  557   2HD2  LEU  72          2HD2      LEU  72  -6.201  -7.317  -5.372
  558   3HD2  LEU  72          3HD2      LEU  72  -7.727  -7.924  -4.717
  559    H    CYS  73           H        CYS  73  -5.186  -7.954 -10.530
  560    HA   CYS  73           HA       CYS  73  -3.681  -5.607 -10.489
  561   1HB   CYS  73          1HB       CYS  73  -3.552  -7.847 -12.575
  562   2HB   CYS  73          2HB       CYS  73  -2.285  -6.656 -12.260
  563    HG   CYS  73           HG       CYS  73  -3.542  -8.930 -10.187
  564    H    ARG  74           H        ARG  74  -6.154  -6.585 -12.858
  565    HA   ARG  74           HA       ARG  74  -5.455  -4.369 -14.675
  566   1HB   ARG  74          1HB       ARG  74  -7.624  -6.512 -14.717
  567   2HB   ARG  74          2HB       ARG  74  -7.393  -5.304 -15.988
  568   1HG   ARG  74          1HG       ARG  74  -5.153  -6.142 -16.480
  569   2HG   ARG  74          2HG       ARG  74  -5.231  -7.290 -15.136
  570   1HD   ARG  74          1HD       ARG  74  -7.135  -8.440 -16.206
  571   2HD   ARG  74          2HD       ARG  74  -7.041  -7.314 -17.581
  572    HE   ARG  74           HE       ARG  74  -4.467  -8.407 -17.270
  573   1HH1  ARG  74          1HH2      ARG  74  -7.689  -9.677 -18.122
  574   2HH1  ARG  74          2HH2      ARG  74  -7.049 -10.991 -19.039
  575   1HH2  ARG  74          1HH1      ARG  74  -3.669 -10.005 -18.416
  576   2HH2  ARG  74          2HH1      ARG  74  -4.648 -11.206 -19.244
  577    H    ASN  75           H        ASN  75  -7.692  -4.919 -12.010
  578    HA   ASN  75           HA       ASN  75  -9.708  -3.079 -12.800
  579   1HB   ASN  75          1HB       ASN  75 -10.028  -4.883 -11.131
  580   2HB   ASN  75          2HB       ASN  75  -8.937  -4.051 -10.018
  581   1HD2  ASN  75          2HD2      ASN  75  -9.823  -2.402  -8.696
  582   2HD2  ASN  75          1HD2      ASN  75 -11.473  -1.852  -8.840
  583    H    TYR  76           H        TYR  76  -6.567  -2.540 -11.342
  584    HA   TYR  76           HA       TYR  76  -7.317   0.287 -10.778
  585   1HB   TYR  76          1HB       TYR  76  -5.142  -1.282  -9.381
  586   2HB   TYR  76          2HB       TYR  76  -5.698   0.331  -8.990
  587    HD1  TYR  76           HD1      TYR  76  -6.345  -3.237  -8.710
  588    HD2  TYR  76           HD2      TYR  76  -7.874   0.646  -7.702
  589    HE1  TYR  76           HE1      TYR  76  -7.972  -4.293  -7.182
  590    HE2  TYR  76           HE2      TYR  76  -9.523  -0.376  -6.197
  591    HH   TYR  76           HH       TYR  76 -10.454  -2.393  -5.416
  592    H    ASP  77           H        ASP  77  -5.429   1.813 -11.008
  593    HA   ASP  77           HA       ASP  77  -4.048   1.099 -13.558
  594   1HB   ASP  77          1HB       ASP  77  -5.982   2.684 -13.645
  595   2HB   ASP  77          2HB       ASP  77  -5.047   3.805 -12.648
  596    H    LEU  78           H        LEU  78  -3.332   1.581 -10.362
  597    HA   LEU  78           HA       LEU  78  -0.517   2.081 -10.999
  598   1HB   LEU  78          1HB       LEU  78  -2.154   4.126  -9.828
  599   2HB   LEU  78          2HB       LEU  78  -1.278   3.417  -8.488
  600    HG   LEU  78           HG       LEU  78  -0.063   4.623 -11.003
  601   1HD1  LEU  78          1HD1      LEU  78   0.707   6.386  -9.534
  602   2HD1  LEU  78          2HD1      LEU  78  -1.040   6.222  -9.329
  603   3HD1  LEU  78          3HD1      LEU  78   0.054   5.560  -8.102
  604   1HD2  LEU  78          1HD2      LEU  78   1.324   3.407  -8.562
  605   2HD2  LEU  78          2HD2      LEU  78   1.436   2.826 -10.236
  606   3HD2  LEU  78          3HD2      LEU  78   2.125   4.390  -9.796
  607    H    ILE  79           H        ILE  79   0.667   0.559  -9.772
  608    HA   ILE  79           HA       ILE  79  -0.814  -0.845  -7.591
  609    HB   ILE  79           HB       ILE  79   1.116  -2.159  -9.521
  610   1HG1  ILE  79          1HG1      ILE  79  -0.820  -1.552 -10.870
  611   2HG1  ILE  79          2HG1      ILE  79  -0.643  -3.281 -10.676
  612   1HG2  ILE  79          1HG2      ILE  79   0.151  -4.252  -8.562
  613   2HG2  ILE  79          2HG2      ILE  79   0.985  -3.256  -7.364
  614   3HG2  ILE  79          3HG2      ILE  79  -0.787  -3.270  -7.419
  615   1HD1  ILE  79          1HD1      ILE  79  -2.497  -3.350  -9.067
  616   2HD1  ILE  79          2HD1      ILE  79  -2.656  -1.579  -9.150
  617   3HD1  ILE  79          3HD1      ILE  79  -3.002  -2.571 -10.571
  618    H    LEU  80           H        LEU  80   0.254  -0.547  -5.727
  619    HA   LEU  80           HA       LEU  80   3.118   0.291  -5.833
  620   1HB   LEU  80          1HB       LEU  80   0.941   0.905  -3.795
  621   2HB   LEU  80          2HB       LEU  80   2.640   1.269  -3.582
  622    HG   LEU  80           HG       LEU  80   1.597   3.275  -4.194
  623   1HD1  LEU  80          1HD1      LEU  80   2.946   2.305  -6.748
  624   2HD1  LEU  80          2HD1      LEU  80   2.747   3.974  -6.203
  625   3HD1  LEU  80          3HD1      LEU  80   3.801   2.872  -5.298
  626   1HD2  LEU  80          1HD2      LEU  80   0.466   2.095  -6.742
  627   2HD2  LEU  80          2HD2      LEU  80  -0.437   2.275  -5.227
  628   3HD2  LEU  80          3HD2      LEU  80   0.209   3.707  -6.056
  629    H    THR  81           H        THR  81   4.566  -0.645  -4.444
  630    HA   THR  81           HA       THR  81   3.692  -3.039  -2.912
  631    HB   THR  81           HB       THR  81   5.663  -4.206  -4.004
  632    HG1  THR  81           1HG      THR  81   5.479  -1.966  -5.729
  633   1HG2  THR  81          1HG2      THR  81   3.349  -4.737  -4.701
  634   2HG2  THR  81          2HG2      THR  81   3.443  -3.475  -5.951
  635   3HG2  THR  81          3HG2      THR  81   4.513  -4.887  -6.030
  636    H    MET  82           H        MET  82   5.521  -3.689  -1.330
  637    HA   MET  82           HA       MET  82   6.573  -1.132  -0.273
  638   1HB   MET  82          1HB       MET  82   6.147  -3.875   0.994
  639   2HB   MET  82          2HB       MET  82   6.719  -2.441   1.845
  640   1HG   MET  82          1HG       MET  82   4.019  -2.750   0.477
  641   2HG   MET  82          2HG       MET  82   4.319  -2.780   2.205
  642   1HE   MET  82          1HE       MET  82   2.165  -1.205   0.866
  643   2HE   MET  82          2HE       MET  82   2.370  -0.786   2.580
  644   3HE   MET  82          3HE       MET  82   2.273   0.502   1.355
  645    H    GLU  83           H        GLU  83   7.755  -4.045  -1.755
  646    HA   GLU  83           HA       GLU  83  10.556  -3.359  -1.013
  647   1HB   GLU  83          1HB       GLU  83   9.182  -6.077  -0.748
  648   2HB   GLU  83          2HB       GLU  83  10.924  -5.813  -0.640
  649   1HG   GLU  83          1HG       GLU  83  10.620  -4.384   1.351
  650   2HG   GLU  83          2HG       GLU  83   8.864  -4.576   1.243
  651    H    LYS  84           H        LYS  84  12.091  -4.206  -2.636
  652    HA   LYS  84           HA       LYS  84  10.955  -3.944  -5.269
  653   1HB   LYS  84          1HB       LYS  84  13.761  -4.738  -4.386
  654   2HB   LYS  84          2HB       LYS  84  13.275  -4.393  -6.055
  655   1HG   LYS  84          1HG       LYS  84  12.529  -2.107  -5.353
  656   2HG   LYS  84          2HG       LYS  84  13.116  -2.435  -3.718
  657   1HD   LYS  84          1HD       LYS  84  15.433  -2.716  -4.617
  658   2HD   LYS  84          2HD       LYS  84  14.815  -2.406  -6.243
  659   1HE   LYS  84          1HE       LYS  84  15.743  -0.343  -5.527
  660   2HE   LYS  84          2HE       LYS  84  13.993  -0.150  -5.453
  661   1HZ   LYS  84          1HZ       LYS  84  15.836  -0.585  -3.171
  662   2HZ   LYS  84          2HZ       LYS  84  14.940   0.755  -3.462
  663   3HZ   LYS  84          3HZ       LYS  84  14.201  -0.613  -3.015
  664    H    ARG  85           H        ARG  85  11.898  -6.789  -3.327
  665    HA   ARG  85           HA       ARG  85  11.493  -8.740  -5.337
  666   1HB   ARG  85          1HB       ARG  85  10.911 -10.286  -3.487
  667   2HB   ARG  85          2HB       ARG  85  12.422  -9.419  -3.240
  668   1HG   ARG  85          1HG       ARG  85  11.421  -7.960  -1.586
  669   2HG   ARG  85          2HG       ARG  85   9.798  -8.569  -1.937
  670   1HD   ARG  85          1HD       ARG  85  10.461 -10.812  -1.139
  671   2HD   ARG  85          2HD       ARG  85  12.072 -10.190  -0.736
  672    HE   ARG  85           HE       ARG  85  10.774  -8.500   0.737
  673   1HH1  ARG  85          1HH2      ARG  85   9.983 -11.952   0.458
  674   2HH1  ARG  85          2HH2      ARG  85   9.122 -11.997   1.950
  675   1HH2  ARG  85          1HH1      ARG  85   9.552  -8.495   2.559
  676   2HH2  ARG  85          2HH1      ARG  85   8.929  -9.980   3.237
  677    H    HIS  86           H        HIS  86   9.055  -6.788  -3.606
  678    HA   HIS  86           HA       HIS  86   6.862  -8.544  -4.442
  679   1HB   HIS  86          1HB       HIS  86   6.849  -5.750  -3.265
  680   2HB   HIS  86          2HB       HIS  86   5.419  -6.718  -3.597
  681    HD1  HIS  86           HD1      HIS  86   7.449  -9.280  -2.147
  682    HD2  HIS  86           HD2      HIS  86   5.602  -5.776  -0.736
  683    HE1  HIS  86           HE1      HIS  86   7.225  -9.541   0.371
  684    H    ILE  87           H        ILE  87   8.494  -5.564  -5.674
  685    HA   ILE  87           HA       ILE  87   6.638  -4.972  -7.739
  686    HB   ILE  87           HB       ILE  87   9.675  -4.789  -7.932
  687   1HG1  ILE  87          1HG1      ILE  87   7.810  -2.547  -7.079
  688   2HG1  ILE  87          2HG1      ILE  87   8.747  -3.521  -5.941
  689   1HG2  ILE  87          1HG2      ILE  87   9.309  -3.093  -9.652
  690   2HG2  ILE  87          2HG2      ILE  87   8.499  -4.573 -10.115
  691   3HG2  ILE  87          3HG2      ILE  87   7.553  -3.224  -9.458
  692   1HD1  ILE  87          1HD1      ILE  87  10.832  -2.808  -7.305
  693   2HD1  ILE  87          2HD1      ILE  87   9.772  -1.562  -8.010
  694   3HD1  ILE  87          3HD1      ILE  87  10.054  -1.614  -6.263
  695    H    GLU  88           H        GLU  88   9.497  -7.193  -7.642
  696    HA   GLU  88           HA       GLU  88   9.226  -8.079 -10.314
  697   1HB   GLU  88          1HB       GLU  88  10.454  -9.456  -7.887
  698   2HB   GLU  88          2HB       GLU  88  10.600 -10.044  -9.548
  699   1HG   GLU  88          1HG       GLU  88  11.663  -7.900 -10.218
  700   2HG   GLU  88          2HG       GLU  88  11.580  -7.334  -8.551
  701    H    ARG  89           H        ARG  89   7.841  -9.462  -7.282
  702    HA   ARG  89           HA       ARG  89   6.648 -11.719  -8.605
  703   1HB   ARG  89          1HB       ARG  89   6.023 -10.331  -5.967
  704   2HB   ARG  89          2HB       ARG  89   5.225 -11.815  -6.520
  705   1HG   ARG  89          1HG       ARG  89   7.354 -13.012  -6.609
  706   2HG   ARG  89          2HG       ARG  89   8.242 -11.552  -6.156
  707   1HD   ARG  89          1HD       ARG  89   7.037 -11.490  -3.988
  708   2HD   ARG  89          2HD       ARG  89   6.175 -12.980  -4.441
  709    HE   ARG  89           HE       ARG  89   9.025 -13.310  -4.646
  710   1HH1  ARG  89          1HH2      ARG  89   6.411 -13.230  -2.239
  711   2HH1  ARG  89          2HH2      ARG  89   7.257 -14.191  -1.085
  712   1HH2  ARG  89          1HH1      ARG  89  10.148 -14.592  -3.108
  713   2HH2  ARG  89          2HH1      ARG  89   9.425 -14.986  -1.597
  714    H    LEU  90           H        LEU  90   5.401  -8.389  -7.966
  715    HA   LEU  90           HA       LEU  90   2.779  -8.966  -8.996
  716   1HB   LEU  90          1HB       LEU  90   4.348  -6.540  -8.264
  717   2HB   LEU  90          2HB       LEU  90   3.202  -6.291  -9.561
  718    HG   LEU  90           HG       LEU  90   2.279  -5.698  -7.399
  719   1HD1  LEU  90          1HD1      LEU  90   0.127  -6.730  -7.668
  720   2HD1  LEU  90          2HD1      LEU  90   0.818  -6.483  -9.276
  721   3HD1  LEU  90          3HD1      LEU  90   0.809  -8.104  -8.560
  722   1HD2  LEU  90          1HD2      LEU  90   1.732  -7.330  -5.711
  723   2HD2  LEU  90          2HD2      LEU  90   2.393  -8.659  -6.681
  724   3HD2  LEU  90          3HD2      LEU  90   3.464  -7.402  -6.021
  725    H    CYS  91           H        CYS  91   5.827  -7.878 -10.575
  726    HA   CYS  91           HA       CYS  91   4.644  -7.485 -13.153
  727   1HB   CYS  91          1HB       CYS  91   7.502  -8.238 -12.386
  728   2HB   CYS  91          2HB       CYS  91   6.967  -7.734 -13.998
  729    HG   CYS  91           HG       CYS  91   6.775  -6.088 -11.135
  730    H    GLU  92           H        GLU  92   6.030 -10.422 -11.538
  731    HA   GLU  92           HA       GLU  92   5.650 -12.122 -13.796
  732   1HB   GLU  92          1HB       GLU  92   5.859 -12.660 -10.812
  733   2HB   GLU  92          2HB       GLU  92   5.659 -13.955 -11.986
  734   1HG   GLU  92          1HG       GLU  92   7.956 -11.950 -12.047
  735   2HG   GLU  92          2HG       GLU  92   8.030 -13.535 -11.290
  736    H    MET  93           H        MET  93   3.426 -11.180 -11.121
  737    HA   MET  93           HA       MET  93   1.339 -12.999 -11.848
  738   1HB   MET  93          1HB       MET  93   1.359 -10.352 -10.348
  739   2HB   MET  93          2HB       MET  93  -0.127 -11.227 -10.657
  740   1HG   MET  93          1HG       MET  93   2.276 -12.365  -9.188
  741   2HG   MET  93          2HG       MET  93   0.852 -11.681  -8.415
  742   1HE   MET  93          1HE       MET  93  -1.595 -12.936 -10.282
  743   2HE   MET  93          2HE       MET  93  -1.950 -14.318  -9.229
  744   3HE   MET  93          3HE       MET  93  -1.573 -12.739  -8.513
  745    H    ALA  94           H        ALA  94   2.081  -9.651 -12.955
  746    HA   ALA  94           HA       ALA  94   0.161 -10.037 -15.200
  747   1HB   ALA  94          1HB       ALA  94  -0.831  -7.837 -14.756
  748   2HB   ALA  94          2HB       ALA  94  -1.112  -8.960 -13.411
  749   3HB   ALA  94          3HB       ALA  94   0.124  -7.694 -13.259
  750    HA   PRO  95           HA       PRO  95   4.267  -8.270 -16.406
  751   1HB   PRO  95          1HB       PRO  95   4.464  -9.496 -18.885
  752   2HB   PRO  95          2HB       PRO  95   5.012 -10.212 -17.340
  753   1HG   PRO  95          1HG       PRO  95   2.382 -10.662 -18.776
  754   2HG   PRO  95          2HG       PRO  95   3.478 -11.886 -18.057
  755   1HD   PRO  95          1HD       PRO  95   1.292 -11.013 -16.728
  756   2HD   PRO  95          2HD       PRO  95   2.821 -11.303 -15.850
  757    H    GLU  96           H        GLU  96   1.115  -8.307 -18.065
  758    HA   GLU  96           HA       GLU  96   1.746  -6.237 -19.953
  759   1HB   GLU  96          1HB       GLU  96  -0.591  -6.056 -20.299
  760   2HB   GLU  96          2HB       GLU  96  -0.206  -7.759 -20.174
  761   1HG   GLU  96          1HG       GLU  96  -1.323  -6.196 -17.791
  762   2HG   GLU  96          2HG       GLU  96  -2.352  -6.802 -19.069
  763    H    MET  97           H        MET  97   1.269  -6.197 -16.510
  764    HA   MET  97           HA       MET  97   0.527  -3.340 -16.461
  765   1HB   MET  97          1HB       MET  97  -0.779  -5.240 -15.296
  766   2HB   MET  97          2HB       MET  97   0.592  -5.370 -14.190
  767   1HG   MET  97          1HG       MET  97  -1.188  -4.046 -13.234
  768   2HG   MET  97          2HG       MET  97   0.240  -3.046 -13.475
  769   1HE   MET  97          1HE       MET  97  -2.653  -1.907 -12.830
  770   2HE   MET  97          2HE       MET  97  -1.213  -0.889 -13.064
  771   3HE   MET  97          3HE       MET  97  -2.711  -0.525 -13.945
  772    H    ARG  98           H        ARG  98   3.354  -5.145 -16.450
  773    HA   ARG  98           HA       ARG  98   4.693  -4.537 -14.139
  774   1HB   ARG  98          1HB       ARG  98   6.738  -5.070 -15.285
  775   2HB   ARG  98          2HB       ARG  98   5.443  -6.112 -15.866
  776   1HG   ARG  98          1HG       ARG  98   5.243  -4.486 -17.872
  777   2HG   ARG  98          2HG       ARG  98   6.749  -3.758 -17.293
  778   1HD   ARG  98          1HD       ARG  98   7.858  -5.984 -17.428
  779   2HD   ARG  98          2HD       ARG  98   6.372  -6.689 -18.067
  780    HE   ARG  98           HE       ARG  98   8.333  -5.043 -19.445
  781   1HH1  ARG  98          1HH2      ARG  98   4.926  -6.101 -19.568
  782   2HH1  ARG  98          2HH2      ARG  98   4.797  -5.882 -21.280
  783   1HH2  ARG  98          1HH1      ARG  98   8.125  -4.734 -21.701
  784   2HH2  ARG  98          2HH1      ARG  98   6.642  -5.073 -22.508
  785    H    GLY  99           H        GLY  99   4.386  -2.297 -16.907
  786   1HA   GLY  99          1HA       GLY  99   6.325  -0.404 -16.021
  787   2HA   GLY  99          2HA       GLY  99   4.997  -0.114 -17.154
  788    H    LYS 100           H        LYS 100   3.139  -1.093 -14.785
  789    HA   LYS 100           HA       LYS 100   2.920   1.576 -13.467
  790   1HB   LYS 100          1HB       LYS 100   0.849  -0.525 -14.211
  791   2HB   LYS 100          2HB       LYS 100   0.498   0.905 -13.230
  792   1HG   LYS 100          1HG       LYS 100   1.092   2.405 -15.040
  793   2HG   LYS 100          2HG       LYS 100   1.628   1.056 -16.061
  794   1HD   LYS 100          1HD       LYS 100  -0.619   0.136 -16.141
  795   2HD   LYS 100          2HD       LYS 100  -1.211   1.384 -15.024
  796   1HE   LYS 100          1HE       LYS 100  -0.566   3.140 -16.678
  797   2HE   LYS 100          2HE       LYS 100  -0.048   1.876 -17.804
  798   1HZ   LYS 100          1HZ       LYS 100  -2.348   1.074 -17.827
  799   2HZ   LYS 100          2HZ       LYS 100  -2.811   2.253 -16.777
  800   3HZ   LYS 100          3HZ       LYS 100  -2.290   2.641 -18.280
  801    H    VAL 101           H        VAL 101   4.087  -1.474 -12.770
  802    HA   VAL 101           HA       VAL 101   3.129  -1.462  -9.965
  803    HB   VAL 101           HB       VAL 101   5.159  -3.262 -11.356
  804   1HG1  VAL 101          1HG1      VAL 101   4.984  -4.688  -9.441
  805   2HG1  VAL 101          2HG1      VAL 101   5.326  -3.079  -8.826
  806   3HG1  VAL 101          3HG1      VAL 101   3.674  -3.706  -8.727
  807   1HG2  VAL 101          1HG2      VAL 101   2.889  -3.618 -12.338
  808   2HG2  VAL 101          2HG2      VAL 101   3.463  -5.007 -11.436
  809   3HG2  VAL 101          3HG2      VAL 101   2.248  -3.925 -10.717
  810    H    MET 102           H        MET 102   4.423  -0.380  -8.400
  811    HA   MET 102           HA       MET 102   7.286  -0.205  -8.845
  812   1HB   MET 102          1HB       MET 102   7.505   2.222  -8.767
  813   2HB   MET 102          2HB       MET 102   6.593   1.724 -10.177
  814   1HG   MET 102          1HG       MET 102   4.462   2.285  -8.903
  815   2HG   MET 102          2HG       MET 102   5.491   2.930  -7.618
  816   1HE   MET 102          1HE       MET 102   5.519   3.157 -11.668
  817   2HE   MET 102          2HE       MET 102   3.872   3.400 -11.039
  818   3HE   MET 102          3HE       MET 102   4.745   4.754 -11.790
  819    H    LEU 103           H        LEU 103   8.351   1.098  -7.037
  820    HA   LEU 103           HA       LEU 103   7.490  -0.099  -4.570
  821   1HB   LEU 103          1HB       LEU 103   9.897   0.411  -5.514
  822   2HB   LEU 103          2HB       LEU 103   9.624   2.045  -4.955
  823    HG   LEU 103           HG       LEU 103   9.318   1.159  -2.618
  824   1HD1  LEU 103          1HD1      LEU 103  10.111  -1.150  -2.137
  825   2HD1  LEU 103          2HD1      LEU 103   8.620  -1.172  -3.078
  826   3HD1  LEU 103          3HD1      LEU 103  10.172  -1.498  -3.877
  827   1HD2  LEU 103          1HD2      LEU 103  11.886   0.419  -4.101
  828   2HD2  LEU 103          2HD2      LEU 103  11.478   1.995  -3.389
  829   3HD2  LEU 103          3HD2      LEU 103  11.743   0.597  -2.338
  830    H    PHE 104           H        PHE 104   6.287   0.859  -2.922
  831    HA   PHE 104           HA       PHE 104   5.031   3.330  -3.335
  832   1HB   PHE 104          1HB       PHE 104   4.287   1.427  -1.837
  833   2HB   PHE 104          2HB       PHE 104   5.493   1.936  -0.667
  834    HD1  PHE 104           HD1      PHE 104   3.141   4.032  -2.768
  835    HD2  PHE 104           HD2      PHE 104   4.191   2.672   1.188
  836    HE1  PHE 104           HE1      PHE 104   1.432   5.501  -1.821
  837    HE2  PHE 104           HE2      PHE 104   2.441   4.161   2.142
  838    HZ   PHE 104           HZ       PHE 104   1.008   5.519   0.629
  839    H    GLY 105           H        GLY 105   8.019   2.584  -1.542
  840   1HA   GLY 105          1HA       GLY 105   8.323   5.274  -0.494
  841   2HA   GLY 105          2HA       GLY 105   9.480   3.943  -0.391
  842    H    HIS 106           H        HIS 106   8.370   4.657  -3.626
  843    HA   HIS 106           HA       HIS 106  10.831   5.021  -4.780
  844   1HB   HIS 106          1HB       HIS 106   8.949   4.573  -6.109
  845   2HB   HIS 106          2HB       HIS 106   8.091   6.014  -5.551
  846    HD1  HIS 106           HD1      HIS 106  11.241   5.204  -7.761
  847    HD2  HIS 106           HD2      HIS 106   8.253   8.112  -7.049
  848    HE1  HIS 106           HE1      HIS 106  11.527   6.988  -9.539
  849    H    TRP 107           H        TRP 107   8.693   7.685  -3.599
  850    HA   TRP 107           HA       TRP 107  10.280   9.788  -4.566
  851   1HB   TRP 107          1HB       TRP 107   8.554   9.839  -2.063
  852   2HB   TRP 107          2HB       TRP 107   8.966  11.198  -3.103
  853    HD1  TRP 107           HD1      TRP 107   6.432   8.501  -2.631
  854    HE1  TRP 107           HE1      TRP 107   4.733   8.459  -4.511
  855    HE3  TRP 107           HE3      TRP 107   8.739  11.735  -5.876
  856    HZ2  TRP 107           HZ2      TRP 107   4.356   9.716  -7.103
  857    HZ3  TRP 107           HZ3      TRP 107   7.676  12.291  -8.047
  858    HH2  TRP 107           HH2      TRP 107   5.476  11.297  -8.659
  859    H    ASP 108           H        ASP 108  10.582   7.941  -1.544
  860    HA   ASP 108           HA       ASP 108  12.613   9.829  -0.510
  861   1HB   ASP 108          1HB       ASP 108  10.785   9.123   0.977
  862   2HB   ASP 108          2HB       ASP 108  11.301   7.446   0.827
  863    H    ASN 109           H        ASN 109  13.810   9.166  -2.496
  864    HA   ASN 109           HA       ASN 109  15.420   8.018  -3.581
  865   1HB   ASN 109          1HB       ASN 109  16.604   9.061  -1.664
  866   2HB   ASN 109          2HB       ASN 109  16.457   7.546  -0.768
  867   1HD2  ASN 109          2HD2      ASN 109  17.538   8.579  -4.110
  868   2HD2  ASN 109          1HD2      ASN 109  18.982   7.608  -4.085
  869    H    GLU 110           H        GLU 110  13.220   6.469  -3.538
  870    HA   GLU 110           HA       GLU 110  12.380   4.378  -3.602
  871   1HB   GLU 110          1HB       GLU 110  15.074   3.691  -4.818
  872   2HB   GLU 110          2HB       GLU 110  13.503   2.925  -5.122
  873   1HG   GLU 110          1HG       GLU 110  12.735   5.315  -5.825
  874   2HG   GLU 110          2HG       GLU 110  14.453   5.682  -5.942
  875    H    CYS 111           H        CYS 111  13.209   4.829  -1.040
  876    HA   CYS 111           HA       CYS 111  14.652   2.597   0.003
  877   1HB   CYS 111          1HB       CYS 111  13.798   3.326   2.172
  878   2HB   CYS 111          2HB       CYS 111  14.419   4.688   1.210
  879    HG   CYS 111           HG       CYS 111  12.315   5.758   0.563
  880    H    GLU 112           H        GLU 112  13.990   0.602   0.730
  881    HA   GLU 112           HA       GLU 112  11.287  -0.346   0.031
  882   1HB   GLU 112          1HB       GLU 112  13.619  -1.700   1.469
  883   2HB   GLU 112          2HB       GLU 112  12.090  -2.474   1.027
  884   1HG   GLU 112          1HG       GLU 112  12.542  -1.939  -1.375
  885   2HG   GLU 112          2HG       GLU 112  14.127  -1.306  -0.918
  886    H    ILE 113           H        ILE 113   9.860  -1.209   1.690
  887    HA   ILE 113           HA       ILE 113  10.056   0.376   4.203
  888    HB   ILE 113           HB       ILE 113   7.642  -0.540   2.626
  889   1HG1  ILE 113          1HG1      ILE 113   9.041   2.142   2.986
  890   2HG1  ILE 113          2HG1      ILE 113   8.782   1.249   1.491
  891   1HG2  ILE 113          1HG2      ILE 113   7.191  -0.563   5.072
  892   2HG2  ILE 113          2HG2      ILE 113   7.721   1.135   5.173
  893   3HG2  ILE 113          3HG2      ILE 113   6.284   0.683   4.237
  894   1HD1  ILE 113          1HD1      ILE 113   6.305   1.641   1.765
  895   2HD1  ILE 113          2HD1      ILE 113   6.716   2.756   3.100
  896   3HD1  ILE 113          3HD1      ILE 113   7.294   3.082   1.462
  897    HA   PRO 114           HA       PRO 114  10.578  -3.567   6.210
  898   1HB   PRO 114          1HB       PRO 114   9.302  -2.307   8.612
  899   2HB   PRO 114          2HB       PRO 114  10.863  -3.155   8.476
  900   1HG   PRO 114          1HG       PRO 114  10.734  -0.432   8.647
  901   2HG   PRO 114          2HG       PRO 114  11.936  -1.252   7.598
  902   1HD   PRO 114          1HD       PRO 114   9.325   0.041   6.802
  903   2HD   PRO 114          2HD       PRO 114  10.926   0.086   6.006
  904    H    ASP 115           H        ASP 115   9.286  -5.083   7.759
  905    HA   ASP 115           HA       ASP 115   6.476  -5.297   6.779
  906   1HB   ASP 115          1HB       ASP 115   7.937  -6.807   5.567
  907   2HB   ASP 115          2HB       ASP 115   8.590  -7.446   7.069
  908    HA   PRO 116           HA       PRO 116   6.540  -5.306  11.324
  909   1HB   PRO 116          1HB       PRO 116   4.195  -4.084  11.863
  910   2HB   PRO 116          2HB       PRO 116   5.550  -3.191  11.118
  911   1HG   PRO 116          1HG       PRO 116   3.166  -4.463   9.730
  912   2HG   PRO 116          2HG       PRO 116   3.788  -2.796   9.533
  913   1HD   PRO 116          1HD       PRO 116   4.463  -4.884   7.854
  914   2HD   PRO 116          2HD       PRO 116   5.593  -3.545   8.201
  915    H    TYR 117           H        TYR 117   4.669  -7.208   9.243
  916    HA   TYR 117           HA       TYR 117   2.423  -8.052  10.292
  917   1HB   TYR 117          1HB       TYR 117   3.316  -8.776   8.196
  918   2HB   TYR 117          2HB       TYR 117   4.642  -9.630   8.973
  919    HD1  TYR 117           HD1      TYR 117   0.938  -9.643   8.520
  920    HD2  TYR 117           HD2      TYR 117   4.440 -11.882   9.639
  921    HE1  TYR 117           HE1      TYR 117  -0.411 -11.742   8.527
  922    HE2  TYR 117           HE2      TYR 117   3.116 -13.979   9.668
  923    HH   TYR 117           HH       TYR 117   1.026 -14.939   9.360
  924    H    ARG 118           H        ARG 118   5.544  -9.231  11.664
  925    HA   ARG 118           HA       ARG 118   3.955 -10.486  13.852
  926   1HB   ARG 118          1HB       ARG 118   5.459 -12.388  13.891
  927   2HB   ARG 118          2HB       ARG 118   4.653 -12.253  12.336
  928   1HG   ARG 118          1HG       ARG 118   6.683 -11.288  11.313
  929   2HG   ARG 118          2HG       ARG 118   7.528 -11.342  12.864
  930   1HD   ARG 118          1HD       ARG 118   6.419 -13.767  11.389
  931   2HD   ARG 118          2HD       ARG 118   8.104 -13.219  11.322
  932    HE   ARG 118           HE       ARG 118   7.527 -13.498  14.032
  933   1HH1  ARG 118          1HH2      ARG 118   7.647 -15.648  11.209
  934   2HH1  ARG 118          2HH2      ARG 118   8.050 -17.056  12.118
  935   1HH2  ARG 118          1HH1      ARG 118   8.059 -15.376  15.249
  936   2HH2  ARG 118          2HH1      ARG 118   8.294 -16.891  14.468
  937    H    LYS 119           H        LYS 119   5.341  -7.828  13.625
  938    HA   LYS 119           HA       LYS 119   7.609  -8.207  15.535
  939   1HB   LYS 119          1HB       LYS 119   6.980  -5.913  13.635
  940   2HB   LYS 119          2HB       LYS 119   8.426  -6.074  14.619
  941   1HG   LYS 119          1HG       LYS 119   7.631  -7.878  12.289
  942   2HG   LYS 119          2HG       LYS 119   8.846  -6.617  12.250
  943   1HD   LYS 119          1HD       LYS 119   9.006  -9.157  13.928
  944   2HD   LYS 119          2HD       LYS 119   9.840  -8.847  12.401
  945   1HE   LYS 119          1HE       LYS 119  11.032  -6.921  13.435
  946   2HE   LYS 119          2HE       LYS 119  10.242  -7.261  14.979
  947   1HZ   LYS 119          1HZ       LYS 119  11.354  -9.423  14.993
  948   2HZ   LYS 119          2HZ       LYS 119  12.087  -9.101  13.566
  949   3HZ   LYS 119          3HZ       LYS 119  12.449  -8.223  14.887
  950    H    SER 120           H        SER 120   7.981  -6.268  16.983
  951    HA   SER 120           HA       SER 120   5.788  -5.895  18.704
  952   1HB   SER 120          1HB       SER 120   8.256  -4.130  18.445
  953   2HB   SER 120          2HB       SER 120   7.292  -4.422  19.905
  954    HG   SER 120           HG       SER 120   9.203  -5.686  19.864
  955    H    ARG 121           H        ARG 121   4.716  -3.833  19.365
  956    HA   ARG 121           HA       ARG 121   3.544  -2.520  17.167
  957   1HB   ARG 121          1HB       ARG 121   2.269  -1.333  18.670
  958   2HB   ARG 121          2HB       ARG 121   2.652  -2.810  19.548
  959   1HG   ARG 121          1HG       ARG 121   4.590  -1.415  20.625
  960   2HG   ARG 121          2HG       ARG 121   3.770  -0.008  19.943
  961   1HD   ARG 121          1HD       ARG 121   2.866  -1.902  22.107
  962   2HD   ARG 121          2HD       ARG 121   2.982  -0.148  22.173
  963    HE   ARG 121           HE       ARG 121   0.762  -1.785  21.355
  964   1HH1  ARG 121          1HH2      ARG 121   2.123   1.469  20.768
  965   2HH1  ARG 121          2HH2      ARG 121   0.588   2.146  20.291
  966   1HH2  ARG 121          1HH1      ARG 121  -1.222  -0.848  20.762
  967   2HH2  ARG 121          2HH1      ARG 121  -1.294   0.839  20.311
  968    H    GLU 122           H        GLU 122   6.512  -1.676  18.892
  969    HA   GLU 122           HA       GLU 122   6.754   0.996  17.947
  970   1HB   GLU 122          1HB       GLU 122   8.136  -0.058  19.723
  971   2HB   GLU 122          2HB       GLU 122   8.923  -1.075  18.507
  972   1HG   GLU 122          1HG       GLU 122   9.839   0.935  17.397
  973   2HG   GLU 122          2HG       GLU 122   8.964   1.978  18.521
  974    H    THR 123           H        THR 123   7.346  -2.169  16.352
  975    HA   THR 123           HA       THR 123   8.666  -0.976  14.044
  976    HB   THR 123           HB       THR 123   7.267  -3.666  14.188
  977    HG1  THR 123           1HG      THR 123   9.814  -2.930  15.199
  978   1HG2  THR 123          1HG2      THR 123   9.116  -4.349  12.656
  979   2HG2  THR 123          2HG2      THR 123   8.103  -3.070  11.968
  980   3HG2  THR 123          3HG2      THR 123   9.699  -2.672  12.637
  981    H    PHE 124           H        PHE 124   5.265  -1.863  14.965
  982    HA   PHE 124           HA       PHE 124   4.151  -1.228  12.378
  983   1HB   PHE 124          1HB       PHE 124   2.987  -1.310  15.179
  984   2HB   PHE 124          2HB       PHE 124   2.068  -0.713  13.815
  985    HD1  PHE 124           HD1      PHE 124   1.106  -2.152  12.167
  986    HD2  PHE 124           HD2      PHE 124   3.717  -3.763  15.204
  987    HE1  PHE 124           HE1      PHE 124   0.378  -4.457  11.597
  988    HE2  PHE 124           HE2      PHE 124   2.972  -6.049  14.622
  989    HZ   PHE 124           HZ       PHE 124   1.307  -6.403  12.818
  990    H    ALA 125           H        ALA 125   4.917   0.802  15.277
  991    HA   ALA 125           HA       ALA 125   3.808   3.198  14.188
  992   1HB   ALA 125          1HB       ALA 125   4.333   2.891  16.584
  993   2HB   ALA 125          2HB       ALA 125   6.071   2.873  16.205
  994   3HB   ALA 125          3HB       ALA 125   5.114   4.336  15.915
  995    H    ALA 126           H        ALA 126   7.157   1.854  14.026
  996    HA   ALA 126           HA       ALA 126   8.305   4.000  12.552
  997   1HB   ALA 126          1HB       ALA 126   9.624   2.211  13.640
  998   2HB   ALA 126          2HB       ALA 126   8.988   1.023  12.479
  999   3HB   ALA 126          3HB       ALA 126  10.021   2.351  11.915
 1000    H    VAL 127           H        VAL 127   6.729   0.956  11.391
 1001    HA   VAL 127           HA       VAL 127   6.996   1.618   8.628
 1002    HB   VAL 127           HB       VAL 127   5.157  -0.282  10.131
 1003   1HG1  VAL 127          1HG1      VAL 127   5.487   0.070   7.114
 1004   2HG1  VAL 127          2HG1      VAL 127   4.754  -1.350   7.882
 1005   3HG1  VAL 127          3HG1      VAL 127   3.989   0.230   8.060
 1006   1HG2  VAL 127          1HG2      VAL 127   7.652  -0.753  10.080
 1007   2HG2  VAL 127          2HG2      VAL 127   6.696  -1.978   9.256
 1008   3HG2  VAL 127          3HG2      VAL 127   7.563  -0.755   8.308
 1009    H    TYR 128           H        TYR 128   4.238   2.227  10.959
 1010    HA   TYR 128           HA       TYR 128   2.531   3.488   9.128
 1011   1HB   TYR 128          1HB       TYR 128   1.794   3.015  11.370
 1012   2HB   TYR 128          2HB       TYR 128   3.052   4.022  12.074
 1013    HD1  TYR 128           HD1      TYR 128  -0.320   4.022  10.634
 1014    HD2  TYR 128           HD2      TYR 128   2.984   6.516  11.867
 1015    HE1  TYR 128           HE1      TYR 128  -1.753   6.034  10.417
 1016    HE2  TYR 128           HE2      TYR 128   1.599   8.524  11.543
 1017    HH   TYR 128           HH       TYR 128  -0.286   9.307  10.550
 1018    H    THR 129           H        THR 129   5.325   4.940  10.924
 1019    HA   THR 129           HA       THR 129   4.824   7.585   9.973
 1020    HB   THR 129           HB       THR 129   7.450   6.335  10.898
 1021    HG1  THR 129           1HG      THR 129   5.912   5.992  12.467
 1022   1HG2  THR 129          1HG2      THR 129   6.452   9.221  10.958
 1023   2HG2  THR 129          2HG2      THR 129   7.956   8.630  11.702
 1024   3HG2  THR 129          3HG2      THR 129   7.766   8.586   9.944
 1025    H    LEU 130           H        LEU 130   6.920   4.940   8.701
 1026    HA   LEU 130           HA       LEU 130   8.011   6.526   6.576
 1027   1HB   LEU 130          1HB       LEU 130   9.049   4.516   7.543
 1028   2HB   LEU 130          2HB       LEU 130   7.738   3.510   6.927
 1029    HG   LEU 130           HG       LEU 130   8.437   3.824   4.651
 1030   1HD1  LEU 130          1HD1      LEU 130  10.472   5.177   4.064
 1031   2HD1  LEU 130          2HD1      LEU 130   9.131   6.182   4.599
 1032   3HD1  LEU 130          3HD1      LEU 130  10.479   5.839   5.713
 1033   1HD2  LEU 130          1HD2      LEU 130   9.657   2.187   6.050
 1034   2HD2  LEU 130          2HD2      LEU 130  10.675   2.828   4.745
 1035   3HD2  LEU 130          3HD2      LEU 130  10.888   3.404   6.414
 1036    H    LEU 131           H        LEU 131   5.168   4.372   6.800
 1037    HA   LEU 131           HA       LEU 131   4.378   4.583   4.040
 1038   1HB   LEU 131          1HB       LEU 131   2.779   4.029   6.578
 1039   2HB   LEU 131          2HB       LEU 131   2.103   3.959   4.958
 1040    HG   LEU 131           HG       LEU 131   4.344   2.151   5.959
 1041   1HD1  LEU 131          1HD1      LEU 131   2.627   0.414   5.978
 1042   2HD1  LEU 131          2HD1      LEU 131   2.151   1.738   7.046
 1043   3HD1  LEU 131          3HD1      LEU 131   1.401   1.577   5.436
 1044   1HD2  LEU 131          1HD2      LEU 131   4.538   2.440   3.569
 1045   2HD2  LEU 131          2HD2      LEU 131   3.878   0.843   3.923
 1046   3HD2  LEU 131          3HD2      LEU 131   2.810   2.140   3.349
 1047    H    GLU 132           H        GLU 132   3.710   6.589   6.968
 1048    HA   GLU 132           HA       GLU 132   1.737   8.220   5.737
 1049   1HB   GLU 132          1HB       GLU 132   2.062   8.086   8.155
 1050   2HB   GLU 132          2HB       GLU 132   3.664   8.822   8.021
 1051   1HG   GLU 132          1HG       GLU 132   2.667  10.914   7.207
 1052   2HG   GLU 132          2HG       GLU 132   1.067  10.169   7.207
 1053    H    ARG 133           H        ARG 133   5.330   8.653   5.964
 1054    HA   ARG 133           HA       ARG 133   5.392  11.064   4.423
 1055   1HB   ARG 133          1HB       ARG 133   7.445   8.815   4.724
 1056   2HB   ARG 133          2HB       ARG 133   7.746  10.326   3.849
 1057   1HG   ARG 133          1HG       ARG 133   7.256  11.628   5.902
 1058   2HG   ARG 133          2HG       ARG 133   6.948  10.119   6.774
 1059   1HD   ARG 133          1HD       ARG 133   9.180  10.964   7.283
 1060   2HD   ARG 133          2HD       ARG 133   9.262   9.409   6.460
 1061    HE   ARG 133           HE       ARG 133   9.773  12.088   5.212
 1062   1HH1  ARG 133          1HH2      ARG 133  10.543   8.621   5.372
 1063   2HH1  ARG 133          2HH2      ARG 133  11.773   8.693   4.148
 1064   1HH2  ARG 133          1HH1      ARG 133  11.458  12.190   3.648
 1065   2HH2  ARG 133          2HH1      ARG 133  12.305  10.754   3.167
 1066    H    SER 134           H        SER 134   5.666   7.640   3.417
 1067    HA   SER 134           HA       SER 134   6.046   8.151   0.666
 1068   1HB   SER 134          1HB       SER 134   4.672   5.754   1.950
 1069   2HB   SER 134          2HB       SER 134   5.384   5.818   0.327
 1070    HG   SER 134           HG       SER 134   6.684   5.968   2.856
 1071    H    ALA 135           H        ALA 135   2.982   7.657   2.492
 1072    HA   ALA 135           HA       ALA 135   1.254   7.863   0.237
 1073   1HB   ALA 135          1HB       ALA 135  -0.500   8.242   1.945
 1074   2HB   ALA 135          2HB       ALA 135   0.558   6.899   2.423
 1075   3HB   ALA 135          3HB       ALA 135   0.746   8.494   3.183
 1076    H    ARG 136           H        ARG 136   2.482  10.344   2.576
 1077    HA   ARG 136           HA       ARG 136   0.863  12.455   1.529
 1078   1HB   ARG 136          1HB       ARG 136   2.057  12.411   3.748
 1079   2HB   ARG 136          2HB       ARG 136   3.586  12.667   2.898
 1080   1HG   ARG 136          1HG       ARG 136   2.751  14.832   2.034
 1081   2HG   ARG 136          2HG       ARG 136   1.166  14.530   2.779
 1082   1HD   ARG 136          1HD       ARG 136   2.237  14.474   5.018
 1083   2HD   ARG 136          2HD       ARG 136   3.810  14.817   4.266
 1084    HE   ARG 136           HE       ARG 136   2.014  16.817   3.425
 1085   1HH1  ARG 136          1HH2      ARG 136   3.531  15.763   6.458
 1086   2HH1  ARG 136          2HH2      ARG 136   3.497  17.326   7.185
 1087   1HH2  ARG 136          1HH1      ARG 136   1.967  18.903   4.393
 1088   2HH2  ARG 136          2HH1      ARG 136   2.587  19.148   5.981
 1089    H    GLN 137           H        GLN 137   4.205  11.349   0.715
 1090    HA   GLN 137           HA       GLN 137   4.711  13.341  -1.241
 1091   1HB   GLN 137          1HB       GLN 137   5.734  10.487  -0.979
 1092   2HB   GLN 137          2HB       GLN 137   6.391  11.672  -2.105
 1093   1HG   GLN 137          1HG       GLN 137   6.321  12.225   0.887
 1094   2HG   GLN 137          2HG       GLN 137   7.596  11.272   0.140
 1095   1HE2  GLN 137          2HE2      GLN 137   9.013  12.953   1.036
 1096   2HE2  GLN 137          1HE2      GLN 137   9.220  14.452   0.157
 1097    H    TRP 138           H        TRP 138   3.279  10.019  -1.583
 1098    HA   TRP 138           HA       TRP 138   2.883  10.190  -4.374
 1099   1HB   TRP 138          1HB       TRP 138   1.788   8.514  -2.143
 1100   2HB   TRP 138          2HB       TRP 138   0.823   8.596  -3.611
 1101    HD1  TRP 138           HD1      TRP 138   3.844   6.861  -2.273
 1102    HE1  TRP 138           HE1      TRP 138   5.079   5.606  -4.100
 1103    HE3  TRP 138           HE3      TRP 138   1.368   8.779  -6.295
 1104    HZ2  TRP 138           HZ2      TRP 138   5.017   5.476  -7.043
 1105    HZ3  TRP 138           HZ3      TRP 138   2.019   8.150  -8.603
 1106    HH2  TRP 138           HH2      TRP 138   3.835   6.505  -8.983
 1107    H    ALA 139           H        ALA 139   0.672  11.215  -1.705
 1108    HA   ALA 139           HA       ALA 139  -1.422  12.024  -3.463
 1109   1HB   ALA 139          1HB       ALA 139  -0.670  13.007  -0.674
 1110   2HB   ALA 139          2HB       ALA 139  -2.207  13.330  -1.502
 1111   3HB   ALA 139          3HB       ALA 139  -1.769  11.662  -1.066
 1112    H    GLN 140           H        GLN 140   1.356  13.831  -2.061
 1113    HA   GLN 140           HA       GLN 140   0.753  16.393  -3.029
 1114   1HB   GLN 140          1HB       GLN 140   2.442  15.786  -1.334
 1115   2HB   GLN 140          2HB       GLN 140   3.459  15.050  -2.565
 1116   1HG   GLN 140          1HG       GLN 140   2.730  17.995  -2.367
 1117   2HG   GLN 140          2HG       GLN 140   4.222  17.262  -1.775
 1118   1HE2  GLN 140          2HE2      GLN 140   3.440  19.303  -4.077
 1119   2HE2  GLN 140          1HE2      GLN 140   4.428  18.739  -5.400
 1120    H    ALA 141           H        ALA 141   2.600  13.705  -4.596
 1121    HA   ALA 141           HA       ALA 141   3.156  15.123  -7.004
 1122   1HB   ALA 141          1HB       ALA 141   3.589  12.861  -7.918
 1123   2HB   ALA 141          2HB       ALA 141   4.365  13.100  -6.339
 1124   3HB   ALA 141          3HB       ALA 141   2.884  12.128  -6.464
 1125    H    LEU 142           H        LEU 142   0.634  12.606  -6.354
 1126    HA   LEU 142           HA       LEU 142  -0.558  12.717  -8.886
 1127   1HB   LEU 142          1HB       LEU 142  -1.680  11.994  -6.155
 1128   2HB   LEU 142          2HB       LEU 142  -2.624  11.800  -7.625
 1129    HG   LEU 142           HG       LEU 142   0.092  10.477  -7.242
 1130   1HD1  LEU 142          1HD1      LEU 142  -1.456   9.671  -5.507
 1131   2HD1  LEU 142          2HD1      LEU 142  -2.683   9.320  -6.744
 1132   3HD1  LEU 142          3HD1      LEU 142  -1.157   8.410  -6.712
 1133   1HD2  LEU 142          1HD2      LEU 142  -2.178   9.899  -9.194
 1134   2HD2  LEU 142          2HD2      LEU 142  -0.616  10.648  -9.602
 1135   3HD2  LEU 142          3HD2      LEU 142  -0.669   8.976  -9.044
 1136    H    ASN 143           H        ASN 143  -1.276  14.714  -6.031
 1137    HA   ASN 143           HA       ASN 143  -3.611  15.971  -6.945
 1138   1HB   ASN 143          1HB       ASN 143  -2.821  16.036  -4.632
 1139   2HB   ASN 143          2HB       ASN 143  -1.402  16.973  -5.112
 1140   1HD2  ASN 143          2HD2      ASN 143  -1.619  19.125  -4.588
 1141   2HD2  ASN 143          1HD2      ASN 143  -3.120  20.011  -4.596
 1142    H    ALA 144           H        ALA 144  -0.337  16.469  -8.162
 1143    HA   ALA 144           HA       ALA 144  -1.393  18.627  -9.844
 1144   1HB   ALA 144          1HB       ALA 144   0.456  20.138  -9.325
 1145   2HB   ALA 144          2HB       ALA 144  -0.452  19.747  -7.854
 1146   3HB   ALA 144          3HB       ALA 144   1.118  18.953  -8.165
 1147    H    GLU 145           H        GLU 145  -0.555  15.881 -10.172
 1148    HA   GLU 145           HA       GLU 145   0.925  16.295 -12.687
 1149   1HB   GLU 145          1HB       GLU 145   1.690  14.132 -10.663
 1150   2HB   GLU 145          2HB       GLU 145   2.261  14.223 -12.332
 1151   1HG   GLU 145          1HG       GLU 145   3.247  16.477 -11.847
 1152   2HG   GLU 145          2HG       GLU 145   2.811  16.270 -10.149
 1153    H    GLN 146           H        GLN 146  -1.796  16.102 -11.958
 1154    HA   GLN 146           HA       GLN 146  -2.804  13.524 -12.785
 1155   1HB   GLN 146          1HB       GLN 146  -4.964  14.590 -12.776
 1156   2HB   GLN 146          2HB       GLN 146  -4.092  15.031 -11.301
 1157   1HG   GLN 146          1HG       GLN 146  -4.178  16.929 -13.677
 1158   2HG   GLN 146          2HG       GLN 146  -5.497  16.823 -12.522
 1159   1HE2  GLN 146          2HE2      GLN 146  -5.207  17.539 -10.347
 1160   2HE2  GLN 146          1HE2      GLN 146  -3.746  18.309  -9.784
 1161    H    VAL 147           H        VAL 147  -3.811  13.128 -14.799
 1162    HA   VAL 147           HA       VAL 147  -2.955  14.642 -17.155
 1163    HB   VAL 147           HB       VAL 147  -1.976  12.419 -18.020
 1164   1HG1  VAL 147          1HG1      VAL 147  -0.606  14.431 -17.490
 1165   2HG1  VAL 147          2HG1      VAL 147  -0.383  13.822 -15.835
 1166   3HG1  VAL 147          3HG1      VAL 147   0.257  12.911 -17.213
 1167   1HG2  VAL 147          1HG2      VAL 147  -1.651  11.806 -15.031
 1168   2HG2  VAL 147          2HG2      VAL 147  -2.704  10.923 -16.163
 1169   3HG2  VAL 147          3HG2      VAL 147  -0.952  10.897 -16.386
  Start of MODEL   20
    1    H    MET   1           H        MET   1  -5.255   9.383 -15.945
    2    HA   MET   1           HA       MET   1  -4.409  10.551 -14.055
    3   1HB   MET   1          1HB       MET   1  -6.520  11.985 -13.899
    4   2HB   MET   1          2HB       MET   1  -7.290  10.657 -13.041
    5   1HG   MET   1          1HG       MET   1  -4.683  11.948 -12.139
    6   2HG   MET   1          2HG       MET   1  -6.265  12.590 -11.714
    7   1HE   MET   1          1HE       MET   1  -4.994  11.225  -8.301
    8   2HE   MET   1          2HE       MET   1  -3.988  11.928  -9.594
    9   3HE   MET   1          3HE       MET   1  -5.570  12.642  -9.201
   10    H    PHE   2           H        PHE   2  -3.658   9.199 -12.384
   11    HA   PHE   2           HA       PHE   2  -4.292   6.395 -12.507
   12   1HB   PHE   2          1HB       PHE   2  -2.588   7.895 -10.481
   13   2HB   PHE   2          2HB       PHE   2  -2.483   6.199 -10.907
   14    HD1  PHE   2           HD1      PHE   2  -1.326   9.550 -11.637
   15    HD2  PHE   2           HD2      PHE   2  -1.672   5.574 -13.281
   16    HE1  PHE   2           HE1      PHE   2   0.387  10.106 -13.326
   17    HE2  PHE   2           HE2      PHE   2   0.067   6.130 -14.966
   18    HZ   PHE   2           HZ       PHE   2   1.099   8.395 -14.996
   19    H    ASN   3           H        ASN   3  -6.714   7.597 -11.820
   20    HA   ASN   3           HA       ASN   3  -7.007   8.220  -9.088
   21   1HB   ASN   3          1HB       ASN   3  -8.535   9.027 -10.856
   22   2HB   ASN   3          2HB       ASN   3  -9.177   7.389 -11.044
   23   1HD2  ASN   3          2HD2      ASN   3  -8.721  10.004  -8.561
   24   2HD2  ASN   3          1HD2      ASN   3 -10.108   9.550  -7.595
   25    H    ASN   4           H        ASN   4  -6.989   5.046 -10.561
   26    HA   ASN   4           HA       ASN   4  -8.363   3.884  -8.168
   27   1HB   ASN   4          1HB       ASN   4  -9.592   3.673 -10.358
   28   2HB   ASN   4          2HB       ASN   4  -8.205   2.788 -11.008
   29   1HD2  ASN   4          2HD2      ASN   4  -9.312   0.753 -11.287
   30   2HD2  ASN   4          1HD2      ASN   4  -9.857  -0.165  -9.915
   31    H    ILE   5           H        ILE   5  -6.890   2.984  -6.831
   32    HA   ILE   5           HA       ILE   5  -4.380   1.860  -8.019
   33    HB   ILE   5           HB       ILE   5  -4.834   3.512  -5.508
   34   1HG1  ILE   5          1HG1      ILE   5  -3.571   4.240  -8.180
   35   2HG1  ILE   5          2HG1      ILE   5  -5.031   4.912  -7.458
   36   1HG2  ILE   5          1HG2      ILE   5  -2.164   2.512  -6.574
   37   2HG2  ILE   5          2HG2      ILE   5  -2.410   3.576  -5.168
   38   3HG2  ILE   5          3HG2      ILE   5  -2.983   1.942  -5.098
   39   1HD1  ILE   5          1HD1      ILE   5  -2.193   5.383  -6.539
   40   2HD1  ILE   5          2HD1      ILE   5  -3.375   6.544  -7.158
   41   3HD1  ILE   5          3HD1      ILE   5  -3.639   5.783  -5.571
   42    H    LEU   6           H        LEU   6  -3.401   0.130  -6.959
   43    HA   LEU   6           HA       LEU   6  -4.941  -1.148  -4.720
   44   1HB   LEU   6          1HB       LEU   6  -5.041  -2.406  -6.912
   45   2HB   LEU   6          2HB       LEU   6  -3.287  -2.524  -6.873
   46    HG   LEU   6           HG       LEU   6  -3.445  -3.844  -4.758
   47   1HD1  LEU   6          1HD1      LEU   6  -5.711  -4.792  -4.167
   48   2HD1  LEU   6          2HD1      LEU   6  -5.543  -3.076  -3.829
   49   3HD1  LEU   6          3HD1      LEU   6  -6.443  -3.607  -5.260
   50   1HD2  LEU   6          1HD2      LEU   6  -4.296  -5.896  -5.828
   51   2HD2  LEU   6          2HD2      LEU   6  -5.081  -4.929  -7.092
   52   3HD2  LEU   6          3HD2      LEU   6  -3.311  -4.954  -6.956
   53    H    VAL   7           H        VAL   7  -3.678  -1.651  -2.926
   54    HA   VAL   7           HA       VAL   7  -0.729  -1.340  -3.215
   55    HB   VAL   7           HB       VAL   7  -2.277  -1.074  -0.622
   56   1HG1  VAL   7          1HG1      VAL   7  -0.160   0.088   0.057
   57   2HG1  VAL   7          2HG1      VAL   7   0.112  -1.599  -0.379
   58   3HG1  VAL   7          3HG1      VAL   7   0.548  -0.302  -1.515
   59   1HG2  VAL   7          1HG2      VAL   7  -1.959   1.386  -0.822
   60   2HG2  VAL   7          2HG2      VAL   7  -1.393   1.173  -2.495
   61   3HG2  VAL   7          3HG2      VAL   7  -3.060   0.759  -2.043
   62    H    VAL   8           H        VAL   8   0.557  -3.058  -2.491
   63    HA   VAL   8           HA       VAL   8  -0.933  -5.514  -1.705
   64    HB   VAL   8           HB       VAL   8   1.330  -5.483  -3.708
   65   1HG1  VAL   8          1HG1      VAL   8   0.746  -7.650  -2.654
   66   2HG1  VAL   8          2HG1      VAL   8  -0.951  -7.440  -3.151
   67   3HG1  VAL   8          3HG1      VAL   8   0.322  -7.661  -4.358
   68   1HG2  VAL   8          1HG2      VAL   8  -0.308  -5.626  -5.545
   69   2HG2  VAL   8          2HG2      VAL   8  -1.630  -5.292  -4.400
   70   3HG2  VAL   8          3HG2      VAL   8  -0.388  -4.065  -4.752
   71    H    CYS   9           H        CYS   9   0.047  -6.815  -0.171
   72    HA   CYS   9           HA       CYS   9   2.967  -6.728   0.076
   73   1HB   CYS   9          1HB       CYS   9   2.974  -6.379   2.523
   74   2HB   CYS   9          2HB       CYS   9   2.407  -4.955   1.632
   75    HG   CYS   9           HG       CYS   9  -0.096  -5.325   1.996
   76    H    VAL  10           H        VAL  10   3.464  -8.435   2.153
   77    HA   VAL  10           HA       VAL  10   2.004 -10.894   1.315
   78    HB   VAL  10           HB       VAL  10   3.520 -11.934   3.097
   79   1HG1  VAL  10          1HG1      VAL  10   4.683 -10.738   0.554
   80   2HG1  VAL  10          2HG1      VAL  10   5.433 -12.052   1.494
   81   3HG1  VAL  10          3HG1      VAL  10   3.858 -12.296   0.730
   82   1HG2  VAL  10          1HG2      VAL  10   5.600 -10.838   3.662
   83   2HG2  VAL  10          2HG2      VAL  10   5.176  -9.392   2.735
   84   3HG2  VAL  10          3HG2      VAL  10   4.272  -9.811   4.209
   85    H    GLY  11           H        GLY  11   0.572 -11.939   2.802
   86   1HA   GLY  11          1HA       GLY  11  -0.841 -12.122   4.604
   87   2HA   GLY  11          2HA       GLY  11   0.065 -10.852   5.429
   88    H    ASN  12           H        ASN  12  -0.396  -8.849   3.215
   89    HA   ASN  12           HA       ASN  12  -1.850  -7.282   2.519
   90   1HB   ASN  12          1HB       ASN  12  -3.291  -9.038   1.648
   91   2HB   ASN  12          2HB       ASN  12  -4.098  -9.193   3.201
   92   1HD2  ASN  12          2HD2      ASN  12  -4.138  -5.991   3.390
   93   2HD2  ASN  12          1HD2      ASN  12  -5.670  -5.778   2.573
   94    H    ILE  13           H        ILE  13  -3.001  -8.770   5.579
   95    HA   ILE  13           HA       ILE  13  -4.527  -6.681   6.457
   96    HB   ILE  13           HB       ILE  13  -4.437  -7.739   8.649
   97   1HG1  ILE  13          1HG1      ILE  13  -2.245  -9.567   7.559
   98   2HG1  ILE  13          2HG1      ILE  13  -1.942  -8.217   8.650
   99   1HG2  ILE  13          1HG2      ILE  13  -4.460  -9.896   6.494
  100   2HG2  ILE  13          2HG2      ILE  13  -5.394  -9.817   7.998
  101   3HG2  ILE  13          3HG2      ILE  13  -5.748  -8.690   6.698
  102   1HD1  ILE  13          1HD1      ILE  13  -3.453  -9.257  10.347
  103   2HD1  ILE  13          2HD1      ILE  13  -3.651 -10.657   9.278
  104   3HD1  ILE  13          3HD1      ILE  13  -2.052 -10.268   9.932
  105    H    CYS  14           H        CYS  14  -1.205  -6.101   6.190
  106    HA   CYS  14           HA       CYS  14  -1.251  -4.277   8.562
  107   1HB   CYS  14          1HB       CYS  14   1.259  -4.619   8.538
  108   2HB   CYS  14          2HB       CYS  14   0.272  -5.992   9.051
  109    HG   CYS  14           HG       CYS  14   2.340  -6.842   7.679
  110    H    ARG  15           H        ARG  15   0.973  -4.418   5.721
  111    HA   ARG  15           HA       ARG  15   1.150  -1.561   5.885
  112   1HB   ARG  15          1HB       ARG  15   2.241  -3.463   3.765
  113   2HB   ARG  15          2HB       ARG  15   2.645  -1.749   3.924
  114   1HG   ARG  15          1HG       ARG  15   3.460  -2.168   6.252
  115   2HG   ARG  15          2HG       ARG  15   3.214  -3.898   6.016
  116   1HD   ARG  15          1HD       ARG  15   5.085  -2.149   4.357
  117   2HD   ARG  15          2HD       ARG  15   5.565  -3.148   5.731
  118    HE   ARG  15           HE       ARG  15   4.167  -4.681   3.721
  119   1HH1  ARG  15          1HH2      ARG  15   7.423  -3.466   4.668
  120   2HH1  ARG  15          2HH2      ARG  15   8.222  -4.649   3.673
  121   1HH2  ARG  15          1HH1      ARG  15   5.461  -6.245   2.384
  122   2HH2  ARG  15          2HH1      ARG  15   7.177  -6.174   2.570
  123    H    SER  16           H        SER  16  -0.513  -3.673   3.455
  124    HA   SER  16           HA       SER  16  -1.198  -1.608   1.730
  125   1HB   SER  16          1HB       SER  16  -2.873  -4.066   2.277
  126   2HB   SER  16          2HB       SER  16  -2.871  -3.042   0.823
  127    HG   SER  16           HG       SER  16  -1.629  -4.891   0.519
  128    HA   PRO  17           HA       PRO  17  -5.381  -0.785   3.857
  129   1HB   PRO  17          1HB       PRO  17  -5.727  -1.349   6.558
  130   2HB   PRO  17          2HB       PRO  17  -6.253  -2.389   5.207
  131   1HG   PRO  17          1HG       PRO  17  -3.729  -2.608   6.847
  132   2HG   PRO  17          2HG       PRO  17  -4.850  -3.913   6.341
  133   1HD   PRO  17          1HD       PRO  17  -2.562  -3.460   4.987
  134   2HD   PRO  17          2HD       PRO  17  -4.074  -3.851   4.113
  135    H    THR  18           H        THR  18  -2.409  -0.595   5.835
  136    HA   THR  18           HA       THR  18  -3.065   1.876   7.147
  137    HB   THR  18           HB       THR  18  -0.352   0.642   6.487
  138    HG1  THR  18           1HG      THR  18  -1.303  -0.824   7.727
  139   1HG2  THR  18          1HG2      THR  18  -0.085   2.962   7.206
  140   2HG2  THR  18          2HG2      THR  18  -1.192   2.702   8.571
  141   3HG2  THR  18          3HG2      THR  18   0.393   1.886   8.523
  142    H    ALA  19           H        ALA  19  -1.194   1.096   4.132
  143    HA   ALA  19           HA       ALA  19  -0.720   3.797   3.359
  144   1HB   ALA  19          1HB       ALA  19  -0.572   2.738   1.038
  145   2HB   ALA  19          2HB       ALA  19   0.514   2.048   2.278
  146   3HB   ALA  19          3HB       ALA  19  -0.978   1.197   1.807
  147    H    GLU  20           H        GLU  20  -3.395   1.527   2.504
  148    HA   GLU  20           HA       GLU  20  -4.745   3.167   0.687
  149   1HB   GLU  20          1HB       GLU  20  -5.234   0.841   0.949
  150   2HB   GLU  20          2HB       GLU  20  -5.687   1.033   2.636
  151   1HG   GLU  20          1HG       GLU  20  -7.313   2.624   0.701
  152   2HG   GLU  20          2HG       GLU  20  -7.421   0.876   0.535
  153    H    ARG  21           H        ARG  21  -5.270   2.945   4.261
  154    HA   ARG  21           HA       ARG  21  -7.215   5.045   4.237
  155   1HB   ARG  21          1HB       ARG  21  -5.531   3.697   6.383
  156   2HB   ARG  21          2HB       ARG  21  -6.490   5.110   6.770
  157   1HG   ARG  21          1HG       ARG  21  -7.618   2.523   5.634
  158   2HG   ARG  21          2HG       ARG  21  -7.688   3.080   7.310
  159   1HD   ARG  21          1HD       ARG  21  -8.881   5.178   6.440
  160   2HD   ARG  21          2HD       ARG  21  -9.099   4.315   4.917
  161    HE   ARG  21           HE       ARG  21 -10.331   3.765   7.550
  162   1HH1  ARG  21          1HH2      ARG  21  -9.766   2.413   4.268
  163   2HH1  ARG  21          2HH2      ARG  21 -11.187   1.432   4.324
  164   1HH2  ARG  21          1HH1      ARG  21 -12.326   2.685   7.461
  165   2HH2  ARG  21          2HH1      ARG  21 -12.627   1.515   6.210
  166    H    LEU  22           H        LEU  22  -3.653   5.151   4.658
  167    HA   LEU  22           HA       LEU  22  -3.635   7.929   5.392
  168   1HB   LEU  22          1HB       LEU  22  -1.575   6.076   4.161
  169   2HB   LEU  22          2HB       LEU  22  -1.237   7.783   4.444
  170    HG   LEU  22           HG       LEU  22  -2.260   6.044   6.717
  171   1HD1  LEU  22          1HD1      LEU  22   0.605   6.404   5.790
  172   2HD1  LEU  22          2HD1      LEU  22   0.134   5.735   7.373
  173   3HD1  LEU  22          3HD1      LEU  22  -0.302   4.895   5.874
  174   1HD2  LEU  22          1HD2      LEU  22  -1.076   7.732   8.083
  175   2HD2  LEU  22          2HD2      LEU  22  -0.575   8.588   6.619
  176   3HD2  LEU  22          3HD2      LEU  22  -2.291   8.500   7.053
  177    H    LEU  23           H        LEU  23  -3.676   6.289   2.166
  178    HA   LEU  23           HA       LEU  23  -3.549   8.812   0.761
  179   1HB   LEU  23          1HB       LEU  23  -4.427   6.021  -0.022
  180   2HB   LEU  23          2HB       LEU  23  -4.921   7.386  -1.001
  181    HG   LEU  23           HG       LEU  23  -3.037   6.511  -2.055
  182   1HD1  LEU  23          1HD1      LEU  23  -1.849   8.888  -0.581
  183   2HD1  LEU  23          2HD1      LEU  23  -1.535   8.328  -2.228
  184   3HD1  LEU  23          3HD1      LEU  23  -3.104   9.042  -1.833
  185   1HD2  LEU  23          1HD2      LEU  23  -1.547   6.622   0.578
  186   2HD2  LEU  23          2HD2      LEU  23  -2.054   5.166  -0.296
  187   3HD2  LEU  23          3HD2      LEU  23  -0.831   6.234  -1.003
  188    H    GLN  24           H        GLN  24  -6.326   6.980   2.204
  189    HA   GLN  24           HA       GLN  24  -8.284   8.747   1.083
  190   1HB   GLN  24          1HB       GLN  24  -8.436   7.211   3.717
  191   2HB   GLN  24          2HB       GLN  24  -9.765   8.031   2.918
  192   1HG   GLN  24          1HG       GLN  24  -8.312   5.554   1.954
  193   2HG   GLN  24          2HG       GLN  24  -9.981   5.698   2.461
  194   1HE2  GLN  24          2HE2      GLN  24  -7.791   5.939  -0.194
  195   2HE2  GLN  24          1HE2      GLN  24  -8.905   6.607  -1.395
  196    H    ARG  25           H        ARG  25  -6.289   8.993   4.072
  197    HA   ARG  25           HA       ARG  25  -7.507  11.341   5.065
  198   1HB   ARG  25          1HB       ARG  25  -5.992  10.060   6.442
  199   2HB   ARG  25          2HB       ARG  25  -4.658  10.297   5.314
  200   1HG   ARG  25          1HG       ARG  25  -4.629  12.713   5.791
  201   2HG   ARG  25          2HG       ARG  25  -5.971  12.529   6.926
  202   1HD   ARG  25          1HD       ARG  25  -3.346  11.007   7.200
  203   2HD   ARG  25          2HD       ARG  25  -3.551  12.646   7.832
  204    HE   ARG  25           HE       ARG  25  -5.671  11.433   8.952
  205   1HH1  ARG  25          1HH2      ARG  25  -2.235  10.530   8.875
  206   2HH1  ARG  25          2HH2      ARG  25  -2.294   9.652  10.365
  207   1HH2  ARG  25          1HH1      ARG  25  -5.665  10.517  11.082
  208   2HH2  ARG  25          2HH1      ARG  25  -4.198   9.936  11.764
  209    H    TYR  26           H        TYR  26  -4.596  11.061   2.911
  210    HA   TYR  26           HA       TYR  26  -4.572  13.962   2.707
  211   1HB   TYR  26          1HB       TYR  26  -2.751  11.868   1.491
  212   2HB   TYR  26          2HB       TYR  26  -2.472  13.610   1.464
  213    HD1  TYR  26           HD1      TYR  26  -1.544  10.702   3.162
  214    HD2  TYR  26           HD2      TYR  26  -2.754  14.775   3.925
  215    HE1  TYR  26           HE1      TYR  26  -0.576  10.567   5.433
  216    HE2  TYR  26           HE2      TYR  26  -1.810  14.638   6.201
  217    HH   TYR  26           HH       TYR  26  -0.776  13.283   7.787
  218    H    HIS  27           H        HIS  27  -5.923  11.473   0.655
  219    HA   HIS  27           HA       HIS  27  -6.571  13.490  -1.399
  220   1HB   HIS  27          1HB       HIS  27  -4.357  12.126  -1.769
  221   2HB   HIS  27          2HB       HIS  27  -5.401  10.785  -2.155
  222    HD1  HIS  27           HD1      HIS  27  -7.228  13.558  -3.655
  223    HD2  HIS  27           HD2      HIS  27  -3.561  11.621  -4.374
  224    HE1  HIS  27           HE1      HIS  27  -6.528  14.188  -6.020
  225    HA   PRO  28           HA       PRO  28  -9.798  10.524   0.255
  226   1HB   PRO  28          1HB       PRO  28 -11.942  12.283   0.459
  227   2HB   PRO  28          2HB       PRO  28 -10.703  12.020   1.717
  228   1HG   PRO  28          1HG       PRO  28 -10.790  14.191  -0.394
  229   2HG   PRO  28          2HG       PRO  28 -10.462  14.363   1.361
  230   1HD   PRO  28          1HD       PRO  28  -8.441  14.283  -0.433
  231   2HD   PRO  28          2HD       PRO  28  -8.292  13.425   1.132
  232    H    GLU  29           H        GLU  29  -9.811  12.466  -2.665
  233    HA   GLU  29           HA       GLU  29 -12.146  11.005  -3.761
  234   1HB   GLU  29          1HB       GLU  29 -11.894  12.432  -5.708
  235   2HB   GLU  29          2HB       GLU  29 -12.085  13.363  -4.236
  236   1HG   GLU  29          1HG       GLU  29  -9.338  12.846  -5.449
  237   2HG   GLU  29          2HG       GLU  29 -10.375  14.148  -6.010
  238    H    LEU  30           H        LEU  30  -8.945  10.244  -3.299
  239    HA   LEU  30           HA       LEU  30  -8.477   8.921  -5.884
  240   1HB   LEU  30          1HB       LEU  30  -6.710  10.093  -4.439
  241   2HB   LEU  30          2HB       LEU  30  -6.909   8.774  -3.280
  242    HG   LEU  30           HG       LEU  30  -6.229   7.178  -5.162
  243   1HD1  LEU  30          1HD1      LEU  30  -5.394   9.807  -6.484
  244   2HD1  LEU  30          2HD1      LEU  30  -5.024   8.171  -7.073
  245   3HD1  LEU  30          3HD1      LEU  30  -6.690   8.746  -7.056
  246   1HD2  LEU  30          1HD2      LEU  30  -4.688   7.815  -3.393
  247   2HD2  LEU  30          2HD2      LEU  30  -3.792   7.862  -4.917
  248   3HD2  LEU  30          3HD2      LEU  30  -4.338   9.367  -4.175
  249    H    LYS  31           H        LYS  31  -8.824   6.691  -6.200
  250    HA   LYS  31           HA       LYS  31 -10.350   5.318  -4.026
  251   1HB   LYS  31          1HB       LYS  31 -11.476   5.388  -6.201
  252   2HB   LYS  31          2HB       LYS  31 -10.035   4.785  -7.010
  253   1HG   LYS  31          1HG       LYS  31 -11.717   3.047  -6.805
  254   2HG   LYS  31          2HG       LYS  31 -10.254   2.604  -5.927
  255   1HD   LYS  31          1HD       LYS  31 -11.291   3.028  -3.789
  256   2HD   LYS  31          2HD       LYS  31 -12.691   3.817  -4.555
  257   1HE   LYS  31          1HE       LYS  31 -13.380   1.735  -5.595
  258   2HE   LYS  31          2HE       LYS  31 -11.920   0.905  -5.042
  259   1HZ   LYS  31          1HZ       LYS  31 -13.964   0.498  -3.703
  260   2HZ   LYS  31          2HZ       LYS  31 -12.681   0.972  -2.821
  261   3HZ   LYS  31          3HZ       LYS  31 -13.907   2.033  -3.160
  262    H    VAL  32           H        VAL  32  -9.143   3.906  -2.824
  263    HA   VAL  32           HA       VAL  32  -6.818   2.586  -4.094
  264    HB   VAL  32           HB       VAL  32  -6.707   3.824  -1.316
  265   1HG1  VAL  32          1HG1      VAL  32  -4.577   2.603  -3.132
  266   2HG1  VAL  32          2HG1      VAL  32  -4.261   3.384  -1.571
  267   3HG1  VAL  32          3HG1      VAL  32  -5.215   1.897  -1.633
  268   1HG2  VAL  32          1HG2      VAL  32  -5.070   5.443  -2.342
  269   2HG2  VAL  32          2HG2      VAL  32  -5.617   4.931  -3.937
  270   3HG2  VAL  32          3HG2      VAL  32  -6.745   5.719  -2.812
  271    H    GLU  33           H        GLU  33  -6.708   0.467  -3.588
  272    HA   GLU  33           HA       GLU  33  -8.338  -0.585  -1.302
  273   1HB   GLU  33          1HB       GLU  33  -8.104  -1.596  -4.170
  274   2HB   GLU  33          2HB       GLU  33  -8.638  -2.625  -2.860
  275   1HG   GLU  33          1HG       GLU  33 -10.041  -0.118  -3.843
  276   2HG   GLU  33          2HG       GLU  33 -10.540  -1.803  -4.060
  277    H    SER  34           H        SER  34  -7.575  -3.015  -1.017
  278    HA   SER  34           HA       SER  34  -4.590  -3.075  -1.061
  279   1HB   SER  34          1HB       SER  34  -6.482  -3.983   1.120
  280   2HB   SER  34          2HB       SER  34  -4.741  -4.193   1.134
  281    HG   SER  34           HG       SER  34  -6.017  -1.652   0.953
  282    H    ALA  35           H        ALA  35  -3.674  -5.121  -1.272
  283    HA   ALA  35           HA       ALA  35  -5.337  -7.522  -1.167
  284   1HB   ALA  35          1HB       ALA  35  -3.710  -6.828  -3.657
  285   2HB   ALA  35          2HB       ALA  35  -4.520  -8.380  -3.333
  286   3HB   ALA  35          3HB       ALA  35  -5.491  -6.932  -3.560
  287    H    GLY  36           H        GLY  36  -3.672  -9.468  -1.500
  288   1HA   GLY  36          1HA       GLY  36  -0.909  -8.653  -1.033
  289   2HA   GLY  36          2HA       GLY  36  -1.624  -9.673   0.221
  290    H    LEU  37           H        LEU  37   0.663 -10.275  -1.225
  291    HA   LEU  37           HA       LEU  37   0.224 -11.921  -3.530
  292   1HB   LEU  37          1HB       LEU  37   2.495 -12.102  -1.505
  293   2HB   LEU  37          2HB       LEU  37   2.511 -12.683  -3.165
  294    HG   LEU  37           HG       LEU  37   2.408  -9.764  -2.279
  295   1HD1  LEU  37          1HD1      LEU  37   4.621 -11.374  -3.607
  296   2HD1  LEU  37          2HD1      LEU  37   4.674  -9.643  -3.195
  297   3HD1  LEU  37          3HD1      LEU  37   4.586 -10.856  -1.907
  298   1HD2  LEU  37          1HD2      LEU  37   1.225 -10.039  -4.432
  299   2HD2  LEU  37          2HD2      LEU  37   2.759  -9.195  -4.649
  300   3HD2  LEU  37          3HD2      LEU  37   2.631 -10.911  -5.093
  301    H    GLY  38           H        GLY  38   0.321 -12.556  -0.051
  302   1HA   GLY  38          1HA       GLY  38  -0.996 -15.197  -0.446
  303   2HA   GLY  38          2HA       GLY  38   0.436 -15.060   0.607
  304    H    ALA  39           H        ALA  39  -2.648 -13.358  -0.090
  305    HA   ALA  39           HA       ALA  39  -2.663 -11.956   2.447
  306   1HB   ALA  39          1HB       ALA  39  -4.915 -12.357   0.458
  307   2HB   ALA  39          2HB       ALA  39  -4.783 -11.053   1.640
  308   3HB   ALA  39          3HB       ALA  39  -3.658 -11.106   0.273
  309    H    LEU  40           H        LEU  40  -4.687 -11.959   3.765
  310    HA   LEU  40           HA       LEU  40  -5.746 -14.713   4.283
  311   1HB   LEU  40          1HB       LEU  40  -5.387 -12.288   6.088
  312   2HB   LEU  40          2HB       LEU  40  -6.194 -13.783   6.569
  313    HG   LEU  40           HG       LEU  40  -3.264 -13.576   5.717
  314   1HD1  LEU  40          1HD1      LEU  40  -2.738 -13.912   8.084
  315   2HD1  LEU  40          2HD1      LEU  40  -3.689 -12.443   7.843
  316   3HD1  LEU  40          3HD1      LEU  40  -4.470 -13.911   8.488
  317   1HD2  LEU  40          1HD2      LEU  40  -4.837 -15.920   6.877
  318   2HD2  LEU  40          2HD2      LEU  40  -4.113 -15.824   5.254
  319   3HD2  LEU  40          3HD2      LEU  40  -3.072 -15.871   6.674
  320    H    VAL  41           H        VAL  41  -7.179 -14.347   2.460
  321    HA   VAL  41           HA       VAL  41  -8.743 -12.133   2.038
  322    HB   VAL  41           HB       VAL  41  -8.469 -13.848   0.414
  323   1HG1  VAL  41          1HG1      VAL  41 -10.212 -15.698   2.089
  324   2HG1  VAL  41          2HG1      VAL  41  -9.604 -16.016   0.453
  325   3HG1  VAL  41          3HG1      VAL  41  -8.470 -15.888   1.798
  326   1HG2  VAL  41          1HG2      VAL  41 -10.690 -13.995  -0.519
  327   2HG2  VAL  41          2HG2      VAL  41 -11.436 -13.697   1.061
  328   3HG2  VAL  41          3HG2      VAL  41 -10.510 -12.415   0.259
  329    H    GLY  42           H        GLY  42 -10.542 -11.210   2.800
  330   1HA   GLY  42          1HA       GLY  42 -12.592 -11.054   3.882
  331   2HA   GLY  42          2HA       GLY  42 -12.381 -12.663   4.576
  332    H    LYS  43           H        LYS  43  -9.500 -11.704   5.500
  333    HA   LYS  43           HA       LYS  43 -10.435 -11.069   8.139
  334   1HB   LYS  43          1HB       LYS  43  -8.392 -12.428   7.477
  335   2HB   LYS  43          2HB       LYS  43  -7.566 -10.901   7.123
  336   1HG   LYS  43          1HG       LYS  43  -7.737 -10.209   9.449
  337   2HG   LYS  43          2HG       LYS  43  -8.853 -11.538   9.818
  338   1HD   LYS  43          1HD       LYS  43  -7.066 -13.183   9.393
  339   2HD   LYS  43          2HD       LYS  43  -5.934 -11.868   9.010
  340   1HE   LYS  43          1HE       LYS  43  -6.196 -10.947  11.286
  341   2HE   LYS  43          2HE       LYS  43  -7.414 -12.168  11.665
  342   1HZ   LYS  43          1HZ       LYS  43  -5.705 -13.870  11.435
  343   2HZ   LYS  43          2HZ       LYS  43  -4.562 -12.747  11.096
  344   3HZ   LYS  43          3HZ       LYS  43  -5.272 -12.780  12.560
  345    H    GLY  44           H        GLY  44  -9.989  -9.206   9.412
  346   1HA   GLY  44          1HA       GLY  44 -10.133  -6.635   8.033
  347   2HA   GLY  44          2HA       GLY  44 -10.138  -6.927   9.774
  348    H    ALA  45           H        ALA  45  -8.653  -4.960   9.527
  349    HA   ALA  45           HA       ALA  45  -5.930  -5.405   8.612
  350   1HB   ALA  45          1HB       ALA  45  -6.838  -3.138   8.685
  351   2HB   ALA  45          2HB       ALA  45  -7.163  -3.282  10.424
  352   3HB   ALA  45          3HB       ALA  45  -5.487  -3.286   9.826
  353    H    ASP  46           H        ASP  46  -4.080  -5.501  10.066
  354    HA   ASP  46           HA       ASP  46  -4.331  -7.540  12.058
  355   1HB   ASP  46          1HB       ASP  46  -2.279  -7.123  10.716
  356   2HB   ASP  46          2HB       ASP  46  -2.043  -5.593  11.556
  357    HA   PRO  47           HA       PRO  47  -5.694  -4.985  15.497
  358   1HB   PRO  47          1HB       PRO  47  -3.937  -6.839  17.117
  359   2HB   PRO  47          2HB       PRO  47  -5.590  -6.251  17.483
  360   1HG   PRO  47          1HG       PRO  47  -5.231  -8.729  16.451
  361   2HG   PRO  47          2HG       PRO  47  -6.545  -7.681  15.821
  362   1HD   PRO  47          1HD       PRO  47  -3.833  -8.234  14.607
  363   2HD   PRO  47          2HD       PRO  47  -5.436  -8.110  13.814
  364    H    THR  48           H        THR  48  -2.209  -5.634  15.016
  365    HA   THR  48           HA       THR  48  -1.376  -3.568  16.909
  366    HB   THR  48           HB       THR  48   0.438  -4.605  14.757
  367    HG1  THR  48           1HG      THR  48  -0.557  -6.434  15.189
  368   1HG2  THR  48          1HG2      THR  48   2.044  -4.715  16.628
  369   2HG2  THR  48          2HG2      THR  48   1.273  -3.119  16.544
  370   3HG2  THR  48          3HG2      THR  48   0.753  -4.291  17.776
  371    H    ALA  49           H        ALA  49  -1.904  -3.942  13.383
  372    HA   ALA  49           HA       ALA  49  -0.890  -1.354  12.632
  373   1HB   ALA  49          1HB       ALA  49  -2.983  -3.126  11.284
  374   2HB   ALA  49          2HB       ALA  49  -2.120  -1.763  10.543
  375   3HB   ALA  49          3HB       ALA  49  -1.234  -3.222  11.023
  376    H    ILE  50           H        ILE  50  -4.153  -2.612  13.532
  377    HA   ILE  50           HA       ILE  50  -5.544  -0.140  13.275
  378    HB   ILE  50           HB       ILE  50  -6.023  -2.493  15.141
  379   1HG1  ILE  50          1HG1      ILE  50  -7.404  -1.790  12.513
  380   2HG1  ILE  50          2HG1      ILE  50  -6.098  -2.957  12.632
  381   1HG2  ILE  50          1HG2      ILE  50  -8.349  -1.659  15.384
  382   2HG2  ILE  50          2HG2      ILE  50  -7.211  -0.472  15.983
  383   3HG2  ILE  50          3HG2      ILE  50  -7.954  -0.244  14.385
  384   1HD1  ILE  50          1HD1      ILE  50  -8.182  -4.145  12.554
  385   2HD1  ILE  50          2HD1      ILE  50  -7.489  -4.345  14.175
  386   3HD1  ILE  50          3HD1      ILE  50  -8.848  -3.225  13.902
  387    H    SER  51           H        SER  51  -3.837  -1.594  16.124
  388    HA   SER  51           HA       SER  51  -4.443   0.481  17.925
  389   1HB   SER  51          1HB       SER  51  -1.965  -1.295  17.845
  390   2HB   SER  51          2HB       SER  51  -2.530  -0.351  19.234
  391    HG   SER  51           HG       SER  51  -3.827  -2.536  17.944
  392    H    VAL  52           H        VAL  52  -1.477   0.118  15.846
  393    HA   VAL  52           HA       VAL  52  -0.394   2.629  16.655
  394    HB   VAL  52           HB       VAL  52   0.065   0.804  14.272
  395   1HG1  VAL  52          1HG1      VAL  52   0.645   3.087  13.507
  396   2HG1  VAL  52          2HG1      VAL  52   1.664   3.310  14.947
  397   3HG1  VAL  52          3HG1      VAL  52   2.062   2.079  13.720
  398   1HG2  VAL  52          1HG2      VAL  52   0.842  -0.061  16.430
  399   2HG2  VAL  52          2HG2      VAL  52   2.258   0.491  15.523
  400   3HG2  VAL  52          3HG2      VAL  52   1.617   1.489  16.821
  401    H    ALA  53           H        ALA  53  -2.686   1.800  13.960
  402    HA   ALA  53           HA       ALA  53  -2.606   4.402  12.806
  403   1HB   ALA  53          1HB       ALA  53  -4.926   2.428  12.878
  404   2HB   ALA  53          2HB       ALA  53  -4.720   3.786  11.752
  405   3HB   ALA  53          3HB       ALA  53  -3.598   2.421  11.690
  406    H    ALA  54           H        ALA  54  -4.543   3.047  15.534
  407    HA   ALA  54           HA       ALA  54  -6.052   5.441  15.949
  408   1HB   ALA  54          1HB       ALA  54  -6.628   4.435  18.116
  409   2HB   ALA  54          2HB       ALA  54  -6.753   3.231  16.818
  410   3HB   ALA  54          3HB       ALA  54  -5.357   3.215  17.921
  411    H    GLU  55           H        GLU  55  -2.833   4.342  17.243
  412    HA   GLU  55           HA       GLU  55  -2.477   6.527  19.020
  413   1HB   GLU  55          1HB       GLU  55  -0.408   4.938  17.443
  414   2HB   GLU  55          2HB       GLU  55  -0.013   6.154  18.646
  415   1HG   GLU  55          1HG       GLU  55  -1.312   4.869  20.353
  416   2HG   GLU  55          2HG       GLU  55  -1.535   3.579  19.177
  417    H    HIS  56           H        HIS  56  -2.670   6.579  15.578
  418    HA   HIS  56           HA       HIS  56  -1.755   9.419  15.514
  419   1HB   HIS  56          1HB       HIS  56  -1.643   7.270  13.391
  420   2HB   HIS  56          2HB       HIS  56  -1.212   8.966  13.129
  421    HD1  HIS  56           HD1      HIS  56   0.984   9.818  14.801
  422    HD2  HIS  56           HD2      HIS  56   0.314   5.731  14.090
  423    HE1  HIS  56           HE1      HIS  56   3.151   8.627  15.403
  424    H    GLN  57           H        GLN  57  -4.449   7.933  15.997
  425    HA   GLN  57           HA       GLN  57  -6.637   8.200  15.471
  426   1HB   GLN  57          1HB       GLN  57  -5.666  11.052  14.937
  427   2HB   GLN  57          2HB       GLN  57  -7.335  10.597  15.272
  428   1HG   GLN  57          1HG       GLN  57  -5.040  10.193  17.245
  429   2HG   GLN  57          2HG       GLN  57  -6.104  11.590  17.212
  430   1HE2  GLN  57          2HE2      GLN  57  -5.947   8.095  17.927
  431   2HE2  GLN  57          1HE2      GLN  57  -7.482   8.034  18.765
  432    H    LEU  58           H        LEU  58  -5.625   6.847  13.515
  433    HA   LEU  58           HA       LEU  58  -7.493   7.747  11.366
  434   1HB   LEU  58          1HB       LEU  58  -4.765   7.563  10.929
  435   2HB   LEU  58          2HB       LEU  58  -5.270   5.921  10.563
  436    HG   LEU  58           HG       LEU  58  -6.267   8.504   9.284
  437   1HD1  LEU  58          1HD1      LEU  58  -4.717   6.148   8.129
  438   2HD1  LEU  58          2HD1      LEU  58  -5.224   7.616   7.258
  439   3HD1  LEU  58          3HD1      LEU  58  -4.041   7.730   8.565
  440   1HD2  LEU  58          1HD2      LEU  58  -7.519   7.011   7.681
  441   2HD2  LEU  58          2HD2      LEU  58  -7.284   5.670   8.836
  442   3HD2  LEU  58          3HD2      LEU  58  -8.217   7.123   9.282
  443    H    SER  59           H        SER  59  -8.844   5.994  10.678
  444    HA   SER  59           HA       SER  59  -8.804   3.750  12.612
  445   1HB   SER  59          1HB       SER  59 -11.182   5.060  11.251
  446   2HB   SER  59          2HB       SER  59 -11.217   3.826  12.524
  447    HG   SER  59           HG       SER  59 -11.509   5.956  13.340
  448    H    LEU  60           H        LEU  60  -7.984   1.965  11.480
  449    HA   LEU  60           HA       LEU  60  -8.378   1.590   8.654
  450   1HB   LEU  60          1HB       LEU  60  -7.630  -0.541  10.669
  451   2HB   LEU  60          2HB       LEU  60  -7.360  -0.568   8.933
  452    HG   LEU  60           HG       LEU  60  -5.980   1.203  10.980
  453   1HD1  LEU  60          1HD1      LEU  60  -4.878  -0.930   9.107
  454   2HD1  LEU  60          2HD1      LEU  60  -3.953   0.024  10.284
  455   3HD1  LEU  60          3HD1      LEU  60  -5.175  -1.123  10.852
  456   1HD2  LEU  60          1HD2      LEU  60  -5.703   1.274   7.947
  457   2HD2  LEU  60          2HD2      LEU  60  -6.226   2.597   9.022
  458   3HD2  LEU  60          3HD2      LEU  60  -4.564   2.027   9.086
  459    H    GLU  61           H        GLU  61 -10.352   0.802  11.388
  460    HA   GLU  61           HA       GLU  61 -12.376  -0.169  11.623
  461   1HB   GLU  61          1HB       GLU  61 -12.727   0.980   8.852
  462   2HB   GLU  61          2HB       GLU  61 -14.040   0.537   9.946
  463   1HG   GLU  61          1HG       GLU  61 -13.409   2.195  11.563
  464   2HG   GLU  61          2HG       GLU  61 -11.946   2.599  10.674
  465    H    GLY  62           H        GLY  62 -13.908  -1.140   9.043
  466   1HA   GLY  62          1HA       GLY  62 -13.333  -3.955   9.749
  467   2HA   GLY  62          2HA       GLY  62 -14.819  -3.317   9.031
  468    H    HIS  63           H        HIS  63 -11.324  -3.245   8.289
  469    HA   HIS  63           HA       HIS  63 -11.468  -3.090   5.490
  470   1HB   HIS  63          1HB       HIS  63  -9.459  -2.701   6.923
  471   2HB   HIS  63          2HB       HIS  63  -9.359  -4.436   7.228
  472    HD1  HIS  63           HD1      HIS  63  -9.182  -2.024   4.183
  473    HD2  HIS  63           HD2      HIS  63  -7.925  -5.822   5.516
  474    HE1  HIS  63           HE1      HIS  63  -7.710  -2.948   2.370
  475    H    CYS  64           H        CYS  64 -11.122  -4.717   3.822
  476    HA   CYS  64           HA       CYS  64 -11.565  -7.547   4.625
  477   1HB   CYS  64          1HB       CYS  64 -13.635  -6.485   3.653
  478   2HB   CYS  64          2HB       CYS  64 -12.729  -6.200   2.152
  479    HG   CYS  64           HG       CYS  64 -14.314  -8.267   1.877
  480    H    ALA  65           H        ALA  65  -9.458  -8.156   4.504
  481    HA   ALA  65           HA       ALA  65  -7.660  -7.486   2.375
  482   1HB   ALA  65          1HB       ALA  65  -7.776  -9.719   4.451
  483   2HB   ALA  65          2HB       ALA  65  -6.428  -9.525   3.323
  484   3HB   ALA  65          3HB       ALA  65  -6.790  -8.244   4.501
  485    H    ARG  66           H        ARG  66  -6.816  -9.063   0.769
  486    HA   ARG  66           HA       ARG  66  -8.560 -11.264  -0.080
  487   1HB   ARG  66          1HB       ARG  66  -9.275 -10.278  -2.193
  488   2HB   ARG  66          2HB       ARG  66  -9.853  -9.302  -0.852
  489   1HG   ARG  66          1HG       ARG  66  -7.617  -7.895  -1.329
  490   2HG   ARG  66          2HG       ARG  66  -7.721  -8.685  -2.900
  491   1HD   ARG  66          1HD       ARG  66  -8.824  -6.633  -3.163
  492   2HD   ARG  66          2HD       ARG  66 -10.153  -7.798  -3.000
  493    HE   ARG  66           HE       ARG  66  -9.749  -6.982  -0.418
  494   1HH1  ARG  66          1HH2      ARG  66 -10.263  -5.041  -3.381
  495   2HH1  ARG  66          2HH2      ARG  66 -10.667  -3.624  -2.420
  496   1HH2  ARG  66          1HH1      ARG  66 -10.341  -5.112   0.685
  497   2HH2  ARG  66          2HH1      ARG  66 -10.691  -3.636  -0.236
  498    H    GLN  67           H        GLN  67  -7.430 -12.621  -1.631
  499    HA   GLN  67           HA       GLN  67  -4.555 -12.014  -1.807
  500   1HB   GLN  67          1HB       GLN  67  -5.484 -14.382  -1.387
  501   2HB   GLN  67          2HB       GLN  67  -5.972 -14.369  -3.098
  502   1HG   GLN  67          1HG       GLN  67  -3.577 -13.858  -3.714
  503   2HG   GLN  67          2HG       GLN  67  -3.150 -13.889  -2.011
  504   1HE2  GLN  67          2HE2      GLN  67  -1.546 -15.419  -3.051
  505   2HE2  GLN  67          1HE2      GLN  67  -2.000 -17.114  -3.123
  506    H    ILE  68           H        ILE  68  -3.496 -11.375  -3.539
  507    HA   ILE  68           HA       ILE  68  -5.033 -10.049  -5.573
  508    HB   ILE  68           HB       ILE  68  -2.736  -9.417  -4.606
  509   1HG1  ILE  68          1HG1      ILE  68  -3.172  -9.352  -7.626
  510   2HG1  ILE  68          2HG1      ILE  68  -3.996  -8.313  -6.457
  511   1HG2  ILE  68          1HG2      ILE  68  -1.621 -11.612  -5.020
  512   2HG2  ILE  68          2HG2      ILE  68  -1.664 -11.264  -6.763
  513   3HG2  ILE  68          3HG2      ILE  68  -0.747 -10.217  -5.665
  514   1HD1  ILE  68          1HD1      ILE  68  -2.179  -7.085  -7.445
  515   2HD1  ILE  68          2HD1      ILE  68  -1.797  -7.414  -5.739
  516   3HD1  ILE  68          3HD1      ILE  68  -1.033  -8.370  -7.036
  517    H    SER  69           H        SER  69  -5.026 -10.537  -7.769
  518    HA   SER  69           HA       SER  69  -4.255 -13.246  -8.660
  519   1HB   SER  69          1HB       SER  69  -6.468 -13.630  -9.605
  520   2HB   SER  69          2HB       SER  69  -6.656 -13.274  -7.870
  521    HG   SER  69           HG       SER  69  -8.149 -12.109  -9.095
  522    H    ARG  70           H        ARG  70  -4.197 -13.198 -11.176
  523    HA   ARG  70           HA       ARG  70  -2.967 -10.789 -12.071
  524   1HB   ARG  70          1HB       ARG  70  -2.647 -13.056 -13.094
  525   2HB   ARG  70          2HB       ARG  70  -4.259 -12.930 -13.822
  526   1HG   ARG  70          1HG       ARG  70  -3.539 -10.931 -15.096
  527   2HG   ARG  70          2HG       ARG  70  -1.968 -10.963 -14.276
  528   1HD   ARG  70          1HD       ARG  70  -1.561 -13.237 -15.258
  529   2HD   ARG  70          2HD       ARG  70  -3.073 -13.065 -16.176
  530    HE   ARG  70           HE       ARG  70  -1.468 -10.758 -16.634
  531   1HH1  ARG  70          1HH1      ARG  70  -1.454 -14.229 -17.473
  532   2HH1  ARG  70          2HH1      ARG  70  -0.502 -14.008 -18.892
  533   1HH2  ARG  70          1HH2      ARG  70  -0.165 -10.491 -18.360
  534   2HH2  ARG  70          2HH2      ARG  70   0.219 -11.788 -19.479
  535    H    ARG  71           H        ARG  71  -6.377 -11.856 -12.182
  536    HA   ARG  71           HA       ARG  71  -7.360  -9.728 -13.784
  537   1HB   ARG  71          1HB       ARG  71  -8.713 -11.672 -13.282
  538   2HB   ARG  71          2HB       ARG  71  -8.650 -11.346 -11.548
  539   1HG   ARG  71          1HG       ARG  71 -10.825 -10.753 -12.495
  540   2HG   ARG  71          2HG       ARG  71 -10.013  -9.343 -11.828
  541   1HD   ARG  71          1HD       ARG  71 -11.067  -8.747 -13.917
  542   2HD   ARG  71          2HD       ARG  71  -9.307  -8.669 -14.109
  543    HE   ARG  71           HE       ARG  71 -10.192 -11.246 -14.903
  544   1HH1  ARG  71          1HH2      ARG  71 -10.510  -7.889 -16.019
  545   2HH1  ARG  71          2HH2      ARG  71 -10.667  -8.306 -17.682
  546   1HH2  ARG  71          1HH1      ARG  71 -10.397 -11.805 -17.125
  547   2HH2  ARG  71          2HH1      ARG  71 -10.628 -10.587 -18.319
  548    H    LEU  72           H        LEU  72  -6.918  -9.928 -10.158
  549    HA   LEU  72           HA       LEU  72  -7.767  -7.241  -9.753
  550   1HB   LEU  72          1HB       LEU  72  -6.243  -9.244  -8.129
  551   2HB   LEU  72          2HB       LEU  72  -5.935  -7.539  -7.779
  552    HG   LEU  72           HG       LEU  72  -8.371  -7.140  -7.599
  553   1HD1  LEU  72          1HD1      LEU  72  -9.243  -9.111  -8.823
  554   2HD1  LEU  72          2HD1      LEU  72  -8.609 -10.175  -7.549
  555   3HD1  LEU  72          3HD1      LEU  72  -9.906  -9.017  -7.188
  556   1HD2  LEU  72          1HD2      LEU  72  -7.234  -9.193  -5.650
  557   2HD2  LEU  72          2HD2      LEU  72  -6.941  -7.436  -5.606
  558   3HD2  LEU  72          3HD2      LEU  72  -8.570  -8.069  -5.327
  559    H    CYS  73           H        CYS  73  -4.455  -8.546 -10.503
  560    HA   CYS  73           HA       CYS  73  -3.137  -6.123 -10.152
  561   1HB   CYS  73          1HB       CYS  73  -2.583  -8.224 -12.304
  562   2HB   CYS  73          2HB       CYS  73  -1.470  -6.942 -11.808
  563    HG   CYS  73           HG       CYS  73  -0.613  -9.166 -10.809
  564    H    ARG  74           H        ARG  74  -4.825  -7.251 -13.176
  565    HA   ARG  74           HA       ARG  74  -4.215  -4.708 -14.463
  566   1HB   ARG  74          1HB       ARG  74  -5.425  -5.546 -16.368
  567   2HB   ARG  74          2HB       ARG  74  -4.299  -6.759 -15.765
  568   1HG   ARG  74          1HG       ARG  74  -6.188  -7.954 -14.664
  569   2HG   ARG  74          2HG       ARG  74  -7.310  -6.723 -15.245
  570   1HD   ARG  74          1HD       ARG  74  -7.463  -8.651 -16.657
  571   2HD   ARG  74          2HD       ARG  74  -6.737  -7.333 -17.589
  572    HE   ARG  74           HE       ARG  74  -4.513  -8.625 -16.704
  573   1HH1  ARG  74          1HH1      ARG  74  -7.434  -9.895 -18.310
  574   2HH1  ARG  74          2HH1      ARG  74  -6.595 -11.202 -19.058
  575   1HH2  ARG  74          1HH2      ARG  74  -3.449 -10.215 -17.695
  576   2HH2  ARG  74          2HH2      ARG  74  -4.233 -11.417 -18.710
  577    H    ASN  75           H        ASN  75  -6.677  -5.618 -12.235
  578    HA   ASN  75           HA       ASN  75  -8.831  -4.104 -13.302
  579   1HB   ASN  75          1HB       ASN  75  -9.143  -5.876 -11.623
  580   2HB   ASN  75          2HB       ASN  75  -8.266  -4.919 -10.426
  581   1HD2  ASN  75          2HD2      ASN  75  -9.442  -3.411  -9.199
  582   2HD2  ASN  75          1HD2      ASN  75 -11.119  -3.029  -9.513
  583    H    TYR  76           H        TYR  76  -5.984  -3.065 -11.497
  584    HA   TYR  76           HA       TYR  76  -7.239  -0.381 -11.080
  585   1HB   TYR  76          1HB       TYR  76  -5.007  -1.591  -9.437
  586   2HB   TYR  76          2HB       TYR  76  -5.802  -0.047  -9.182
  587    HD1  TYR  76           HD1      TYR  76  -6.275  -3.727  -9.052
  588    HD2  TYR  76           HD2      TYR  76  -7.795   0.091  -7.835
  589    HE1  TYR  76           HE1      TYR  76  -7.885  -4.866  -7.554
  590    HE2  TYR  76           HE2      TYR  76  -9.446  -1.007  -6.375
  591    HH   TYR  76           HH       TYR  76 -10.317  -3.060  -5.626
  592    H    ASP  77           H        ASP  77  -5.688   1.451 -11.390
  593    HA   ASP  77           HA       ASP  77  -4.278   0.847 -13.917
  594   1HB   ASP  77          1HB       ASP  77  -6.021   2.600 -13.809
  595   2HB   ASP  77          2HB       ASP  77  -5.034   3.498 -12.648
  596    H    LEU  78           H        LEU  78  -3.401   1.395 -10.643
  597    HA   LEU  78           HA       LEU  78  -0.565   1.639 -11.361
  598   1HB   LEU  78          1HB       LEU  78  -1.800   3.965 -10.990
  599   2HB   LEU  78          2HB       LEU  78  -1.772   3.519  -9.300
  600    HG   LEU  78           HG       LEU  78  -0.013   5.069  -9.927
  601   1HD1  LEU  78          1HD1      LEU  78   0.412   3.430  -8.083
  602   2HD1  LEU  78          2HD1      LEU  78   1.325   2.426  -9.237
  603   3HD1  LEU  78          3HD1      LEU  78   1.872   4.060  -8.858
  604   1HD2  LEU  78          1HD2      LEU  78   0.293   4.283 -12.283
  605   2HD2  LEU  78          2HD2      LEU  78   1.802   4.570 -11.406
  606   3HD2  LEU  78          3HD2      LEU  78   1.233   2.909 -11.670
  607    H    ILE  79           H        ILE  79   0.631   0.435  -9.856
  608    HA   ILE  79           HA       ILE  79  -0.954  -0.835  -7.656
  609    HB   ILE  79           HB       ILE  79   1.099  -2.176  -9.436
  610   1HG1  ILE  79          1HG1      ILE  79  -0.845  -1.727 -10.838
  611   2HG1  ILE  79          2HG1      ILE  79  -0.635  -3.438 -10.542
  612   1HG2  ILE  79          1HG2      ILE  79  -0.790  -3.299  -7.323
  613   2HG2  ILE  79          2HG2      ILE  79   0.226  -4.280  -8.401
  614   3HG2  ILE  79          3HG2      ILE  79   0.976  -3.192  -7.227
  615   1HD1  ILE  79          1HD1      ILE  79  -2.502  -3.500  -9.001
  616   2HD1  ILE  79          2HD1      ILE  79  -2.633  -1.724  -9.006
  617   3HD1  ILE  79          3HD1      ILE  79  -3.015  -2.639 -10.462
  618    H    LEU  80           H        LEU  80   0.089  -0.857  -5.721
  619    HA   LEU  80           HA       LEU  80   2.881   0.188  -5.638
  620   1HB   LEU  80          1HB       LEU  80   0.500   0.923  -3.904
  621   2HB   LEU  80          2HB       LEU  80   2.164   1.391  -3.556
  622    HG   LEU  80           HG       LEU  80   0.619   2.185  -6.063
  623   1HD1  LEU  80          1HD1      LEU  80   1.381   3.955  -3.719
  624   2HD1  LEU  80          2HD1      LEU  80   0.426   4.389  -5.142
  625   3HD1  LEU  80          3HD1      LEU  80  -0.234   3.246  -3.960
  626   1HD2  LEU  80          1HD2      LEU  80   3.021   2.136  -6.526
  627   2HD2  LEU  80          2HD2      LEU  80   2.467   3.798  -6.410
  628   3HD2  LEU  80          3HD2      LEU  80   3.360   3.075  -5.053
  629    H    THR  81           H        THR  81   4.182  -0.560  -4.012
  630    HA   THR  81           HA       THR  81   3.131  -2.357  -1.976
  631    HB   THR  81           HB       THR  81   3.424  -3.855  -3.927
  632    HG1  THR  81           1HG      THR  81   3.686  -4.647  -1.903
  633   1HG2  THR  81          1HG2      THR  81   6.395  -3.194  -3.772
  634   2HG2  THR  81          2HG2      THR  81   5.623  -4.438  -4.775
  635   3HG2  THR  81          3HG2      THR  81   5.298  -2.732  -5.093
  636    H    MET  82           H        MET  82   5.690  -3.230  -1.004
  637    HA   MET  82           HA       MET  82   6.918  -0.571  -0.381
  638   1HB   MET  82          1HB       MET  82   6.017  -2.838   1.436
  639   2HB   MET  82          2HB       MET  82   7.117  -1.569   1.942
  640   1HG   MET  82          1HG       MET  82   5.127  -0.699   2.656
  641   2HG   MET  82          2HG       MET  82   5.306   0.095   1.100
  642   1HE   MET  82          1HE       MET  82   2.810   0.347   2.542
  643   2HE   MET  82          2HE       MET  82   2.694   0.785   0.823
  644   3HE   MET  82          3HE       MET  82   1.461  -0.262   1.569
  645    H    GLU  83           H        GLU  83   7.615  -3.704  -1.590
  646    HA   GLU  83           HA       GLU  83  10.494  -3.246  -1.025
  647   1HB   GLU  83          1HB       GLU  83   8.945  -5.816  -0.468
  648   2HB   GLU  83          2HB       GLU  83  10.709  -5.697  -0.544
  649   1HG   GLU  83          1HG       GLU  83  10.718  -4.103   1.340
  650   2HG   GLU  83          2HG       GLU  83   8.951  -4.190   1.435
  651    H    LYS  84           H        LYS  84  11.903  -4.143  -2.562
  652    HA   LYS  84           HA       LYS  84  10.823  -4.148  -5.214
  653   1HB   LYS  84          1HB       LYS  84  13.593  -5.023  -4.281
  654   2HB   LYS  84          2HB       LYS  84  13.118  -4.623  -5.939
  655   1HG   LYS  84          1HG       LYS  84  12.539  -2.300  -5.186
  656   2HG   LYS  84          2HG       LYS  84  13.112  -2.709  -3.561
  657   1HD   LYS  84          1HD       LYS  84  15.365  -3.281  -4.615
  658   2HD   LYS  84          2HD       LYS  84  14.779  -2.527  -6.105
  659   1HE   LYS  84          1HE       LYS  84  14.921  -1.198  -3.355
  660   2HE   LYS  84          2HE       LYS  84  16.144  -1.000  -4.610
  661   1HZ   LYS  84          1HZ       LYS  84  14.332   0.762  -4.370
  662   2HZ   LYS  84          2HZ       LYS  84  14.706   0.293  -5.892
  663   3HZ   LYS  84          3HZ       LYS  84  13.346  -0.273  -5.161
  664    H    ARG  85           H        ARG  85  11.705  -6.838  -3.002
  665    HA   ARG  85           HA       ARG  85  11.411  -8.943  -4.851
  666   1HB   ARG  85          1HB       ARG  85  10.783 -10.350  -2.907
  667   2HB   ARG  85          2HB       ARG  85  12.256  -9.422  -2.661
  668   1HG   ARG  85          1HG       ARG  85  11.129  -7.859  -1.190
  669   2HG   ARG  85          2HG       ARG  85   9.548  -8.570  -1.542
  670   1HD   ARG  85          1HD       ARG  85  10.264 -10.693  -0.509
  671   2HD   ARG  85          2HD       ARG  85  11.840  -9.978  -0.127
  672    HE   ARG  85           HE       ARG  85  10.563  -8.243   1.209
  673   1HH1  ARG  85          1HH2      ARG  85   9.491 -11.628   1.032
  674   2HH1  ARG  85          2HH2      ARG  85   8.540 -11.530   2.465
  675   1HH2  ARG  85          1HH1      ARG  85   9.165  -8.046   2.941
  676   2HH2  ARG  85          2HH1      ARG  85   8.396  -9.448   3.626
  677    H    HIS  86           H        HIS  86   8.863  -6.961  -3.316
  678    HA   HIS  86           HA       HIS  86   6.749  -8.801  -4.163
  679   1HB   HIS  86          1HB       HIS  86   6.651  -5.951  -3.106
  680   2HB   HIS  86          2HB       HIS  86   5.251  -6.961  -3.437
  681    HD1  HIS  86           HD1      HIS  86   7.125  -9.510  -1.876
  682    HD2  HIS  86           HD2      HIS  86   5.487  -5.867  -0.564
  683    HE1  HIS  86           HE1      HIS  86   6.822  -9.713   0.636
  684    H    ILE  87           H        ILE  87   8.279  -5.763  -5.379
  685    HA   ILE  87           HA       ILE  87   6.504  -5.349  -7.554
  686    HB   ILE  87           HB       ILE  87   9.488  -4.748  -7.349
  687   1HG1  ILE  87          1HG1      ILE  87   7.057  -2.986  -6.815
  688   2HG1  ILE  87          2HG1      ILE  87   8.119  -3.670  -5.587
  689   1HG2  ILE  87          1HG2      ILE  87   7.457  -3.602  -9.315
  690   2HG2  ILE  87          2HG2      ILE  87   9.167  -3.143  -9.179
  691   3HG2  ILE  87          3HG2      ILE  87   8.745  -4.749  -9.717
  692   1HD1  ILE  87          1HD1      ILE  87  10.031  -2.371  -6.534
  693   2HD1  ILE  87          2HD1      ILE  87   8.882  -1.563  -7.632
  694   3HD1  ILE  87          3HD1      ILE  87   8.697  -1.398  -5.887
  695    H    GLU  88           H        GLU  88   9.532  -7.326  -7.310
  696    HA   GLU  88           HA       GLU  88   9.500  -8.195  -9.992
  697   1HB   GLU  88          1HB       GLU  88  10.561  -9.505  -7.454
  698   2HB   GLU  88          2HB       GLU  88  10.830 -10.183  -9.058
  699   1HG   GLU  88          1HG       GLU  88  11.694  -7.374  -8.240
  700   2HG   GLU  88          2HG       GLU  88  12.725  -8.796  -8.168
  701    H    ARG  89           H        ARG  89   7.959  -9.729  -7.104
  702    HA   ARG  89           HA       ARG  89   6.933 -11.978  -8.561
  703   1HB   ARG  89          1HB       ARG  89   6.066 -10.645  -5.955
  704   2HB   ARG  89          2HB       ARG  89   5.331 -12.128  -6.587
  705   1HG   ARG  89          1HG       ARG  89   7.487 -13.291  -6.542
  706   2HG   ARG  89          2HG       ARG  89   8.311 -11.825  -5.994
  707   1HD   ARG  89          1HD       ARG  89   7.008 -11.824  -3.915
  708   2HD   ARG  89          2HD       ARG  89   6.113 -13.255  -4.435
  709    HE   ARG  89           HE       ARG  89   8.885 -13.085  -3.463
  710   1HH1  ARG  89          1HH2      ARG  89   6.462 -15.185  -5.001
  711   2HH1  ARG  89          2HH2      ARG  89   7.278 -16.649  -4.604
  712   1HH2  ARG  89          1HH1      ARG  89   9.965 -15.040  -2.935
  713   2HH2  ARG  89          2HH1      ARG  89   9.310 -16.560  -3.403
  714    H    LEU  90           H        LEU  90   5.537  -8.741  -7.873
  715    HA   LEU  90           HA       LEU  90   2.977  -9.275  -9.016
  716   1HB   LEU  90          1HB       LEU  90   4.619  -6.759  -8.587
  717   2HB   LEU  90          2HB       LEU  90   3.031  -6.690  -9.346
  718    HG   LEU  90           HG       LEU  90   3.447  -7.967  -6.617
  719   1HD1  LEU  90          1HD1      LEU  90   2.690  -5.881  -5.605
  720   2HD1  LEU  90          2HD1      LEU  90   4.172  -5.593  -6.520
  721   3HD1  LEU  90          3HD1      LEU  90   2.601  -5.099  -7.198
  722   1HD2  LEU  90          1HD2      LEU  90   0.990  -6.860  -8.053
  723   2HD2  LEU  90          2HD2      LEU  90   1.354  -8.575  -7.768
  724   3HD2  LEU  90          3HD2      LEU  90   1.034  -7.511  -6.405
  725    H    CYS  91           H        CYS  91   6.003  -7.958 -10.495
  726    HA   CYS  91           HA       CYS  91   4.813  -7.562 -13.065
  727   1HB   CYS  91          1HB       CYS  91   7.726  -8.014 -12.277
  728   2HB   CYS  91          2HB       CYS  91   7.162  -7.479 -13.872
  729    HG   CYS  91           HG       CYS  91   6.821  -6.059 -10.912
  730    H    GLU  92           H        GLU  92   6.477 -10.423 -11.587
  731    HA   GLU  92           HA       GLU  92   6.447 -11.976 -13.976
  732   1HB   GLU  92          1HB       GLU  92   6.575 -12.700 -11.027
  733   2HB   GLU  92          2HB       GLU  92   6.535 -13.928 -12.295
  734   1HG   GLU  92          1HG       GLU  92   8.537 -12.930 -13.358
  735   2HG   GLU  92          2HG       GLU  92   8.642 -11.737 -12.070
  736    H    MET  93           H        MET  93   3.988 -11.592 -11.351
  737    HA   MET  93           HA       MET  93   2.224 -13.599 -12.457
  738   1HB   MET  93          1HB       MET  93   1.783 -11.320 -10.491
  739   2HB   MET  93          2HB       MET  93   0.518 -12.461 -10.965
  740   1HG   MET  93          1HG       MET  93   1.975 -14.351 -10.228
  741   2HG   MET  93          2HG       MET  93   3.129 -13.186  -9.591
  742   1HE   MET  93          1HE       MET  93   1.006 -10.931  -8.350
  743   2HE   MET  93          2HE       MET  93   1.049 -11.510  -6.677
  744   3HE   MET  93          3HE       MET  93   2.550 -11.460  -7.631
  745    H    ALA  94           H        ALA  94   2.589 -10.081 -12.981
  746    HA   ALA  94           HA       ALA  94   0.516 -10.220 -15.117
  747   1HB   ALA  94          1HB       ALA  94   0.582  -8.190 -12.852
  748   2HB   ALA  94          2HB       ALA  94  -0.520  -8.185 -14.250
  749   3HB   ALA  94          3HB       ALA  94  -0.606  -9.496 -13.057
  750    HA   PRO  95           HA       PRO  95   4.445  -8.056 -16.332
  751   1HB   PRO  95          1HB       PRO  95   4.539  -8.973 -18.946
  752   2HB   PRO  95          2HB       PRO  95   5.257  -9.811 -17.537
  753   1HG   PRO  95          1HG       PRO  95   2.564 -10.308 -18.833
  754   2HG   PRO  95          2HG       PRO  95   3.798 -11.515 -18.343
  755   1HD   PRO  95          1HD       PRO  95   1.662 -10.979 -16.769
  756   2HD   PRO  95          2HD       PRO  95   3.273 -11.243 -16.043
  757    H    GLU  96           H        GLU  96   1.157  -8.126 -17.676
  758    HA   GLU  96           HA       GLU  96   1.402  -5.859 -19.378
  759   1HB   GLU  96          1HB       GLU  96  -0.993  -5.691 -19.224
  760   2HB   GLU  96          2HB       GLU  96  -0.524  -7.356 -19.486
  761   1HG   GLU  96          1HG       GLU  96  -1.132  -6.385 -16.671
  762   2HG   GLU  96          2HG       GLU  96  -2.437  -6.692 -17.800
  763    H    MET  97           H        MET  97   1.561  -6.078 -15.906
  764    HA   MET  97           HA       MET  97   1.021  -3.168 -15.606
  765   1HB   MET  97          1HB       MET  97   1.307  -5.307 -13.459
  766   2HB   MET  97          2HB       MET  97   0.866  -3.619 -13.216
  767   1HG   MET  97          1HG       MET  97  -0.755  -5.761 -14.605
  768   2HG   MET  97          2HG       MET  97  -1.120  -4.957 -13.090
  769   1HE   MET  97          1HE       MET  97  -2.221  -2.635 -12.825
  770   2HE   MET  97          2HE       MET  97  -0.769  -1.901 -13.528
  771   3HE   MET  97          3HE       MET  97  -2.379  -1.445 -14.129
  772    H    ARG  98           H        ARG  98   3.680  -4.997 -16.388
  773    HA   ARG  98           HA       ARG  98   5.612  -4.162 -14.456
  774   1HB   ARG  98          1HB       ARG  98   5.965  -5.937 -16.156
  775   2HB   ARG  98          2HB       ARG  98   5.960  -4.716 -17.438
  776   1HG   ARG  98          1HG       ARG  98   7.998  -3.679 -16.474
  777   2HG   ARG  98          2HG       ARG  98   7.936  -4.803 -15.108
  778   1HD   ARG  98          1HD       ARG  98   9.600  -5.575 -16.684
  779   2HD   ARG  98          2HD       ARG  98   8.242  -6.714 -16.654
  780    HE   ARG  98           HE       ARG  98   7.982  -4.693 -18.725
  781   1HH1  ARG  98          1HH2      ARG  98   9.576  -7.779 -17.996
  782   2HH1  ARG  98          2HH2      ARG  98   9.719  -8.261 -19.645
  783   1HH2  ARG  98          1HH1      ARG  98   8.160  -5.336 -20.926
  784   2HH2  ARG  98          2HH1      ARG  98   8.900  -6.833 -21.346
  785    H    GLY  99           H        GLY  99   6.300  -2.142 -13.994
  786   1HA   GLY  99          1HA       GLY  99   7.088   0.035 -14.517
  787   2HA   GLY  99          2HA       GLY  99   6.134   0.043 -16.004
  788    H    LYS 100           H        LYS 100   3.648  -0.980 -14.696
  789    HA   LYS 100           HA       LYS 100   2.712   1.489 -13.366
  790   1HB   LYS 100          1HB       LYS 100   1.325  -1.083 -14.229
  791   2HB   LYS 100          2HB       LYS 100   0.535   0.159 -13.251
  792   1HG   LYS 100          1HG       LYS 100   0.876   1.843 -14.973
  793   2HG   LYS 100          2HG       LYS 100   1.754   0.688 -15.992
  794   1HD   LYS 100          1HD       LYS 100  -0.222  -0.700 -16.254
  795   2HD   LYS 100          2HD       LYS 100  -1.145   0.285 -15.114
  796   1HE   LYS 100          1HE       LYS 100   0.039   1.380 -17.695
  797   2HE   LYS 100          2HE       LYS 100  -1.588   0.698 -17.598
  798   1HZ   LYS 100          1HZ       LYS 100  -0.726   2.964 -15.909
  799   2HZ   LYS 100          2HZ       LYS 100  -1.486   3.142 -17.348
  800   3HZ   LYS 100          3HZ       LYS 100  -2.259   2.410 -16.117
  801    H    VAL 101           H        VAL 101   4.062  -1.610 -12.457
  802    HA   VAL 101           HA       VAL 101   3.110  -1.338  -9.684
  803    HB   VAL 101           HB       VAL 101   5.182  -3.230 -10.869
  804   1HG1  VAL 101          1HG1      VAL 101   5.399  -2.916  -8.424
  805   2HG1  VAL 101          2HG1      VAL 101   3.678  -3.267  -8.210
  806   3HG1  VAL 101          3HG1      VAL 101   4.792  -4.524  -8.800
  807   1HG2  VAL 101          1HG2      VAL 101   2.302  -3.946 -10.159
  808   2HG2  VAL 101          2HG2      VAL 101   2.861  -3.653 -11.811
  809   3HG2  VAL 101          3HG2      VAL 101   3.544  -4.981 -10.889
  810    H    MET 102           H        MET 102   4.331  -0.308  -8.108
  811    HA   MET 102           HA       MET 102   7.202  -0.074  -8.355
  812   1HB   MET 102          1HB       MET 102   7.372   2.368  -8.214
  813   2HB   MET 102          2HB       MET 102   6.616   1.863  -9.712
  814   1HG   MET 102          1HG       MET 102   4.346   2.321  -8.535
  815   2HG   MET 102          2HG       MET 102   5.310   3.127  -7.292
  816   1HE   MET 102          1HE       MET 102   3.696   3.193 -10.722
  817   2HE   MET 102          2HE       MET 102   4.503   4.501 -11.617
  818   3HE   MET 102          3HE       MET 102   5.355   2.969 -11.322
  819    H    LEU 103           H        LEU 103   7.823   1.542  -6.220
  820    HA   LEU 103           HA       LEU 103   6.152   0.375  -4.067
  821   1HB   LEU 103          1HB       LEU 103   8.161   0.633  -2.582
  822   2HB   LEU 103          2HB       LEU 103   8.062  -0.715  -3.701
  823    HG   LEU 103           HG       LEU 103   9.719   0.440  -5.189
  824   1HD1  LEU 103          1HD1      LEU 103   9.950   2.424  -2.900
  825   2HD1  LEU 103          2HD1      LEU 103  11.047   2.279  -4.286
  826   3HD1  LEU 103          3HD1      LEU 103   9.382   2.774  -4.563
  827   1HD2  LEU 103          1HD2      LEU 103  10.424  -1.250  -3.555
  828   2HD2  LEU 103          2HD2      LEU 103  11.644   0.034  -3.646
  829   3HD2  LEU 103          3HD2      LEU 103  10.518  -0.014  -2.282
  830    H    PHE 104           H        PHE 104   5.839   1.416  -2.148
  831    HA   PHE 104           HA       PHE 104   4.894   4.031  -2.365
  832   1HB   PHE 104          1HB       PHE 104   4.849   1.908  -0.515
  833   2HB   PHE 104          2HB       PHE 104   5.700   3.160   0.357
  834    HD1  PHE 104           HD1      PHE 104   4.198   3.989   1.930
  835    HD2  PHE 104           HD2      PHE 104   2.786   3.222  -2.063
  836    HE1  PHE 104           HE1      PHE 104   1.994   4.951   2.525
  837    HE2  PHE 104           HE2      PHE 104   0.578   4.188  -1.465
  838    HZ   PHE 104           HZ       PHE 104   0.191   5.049   0.831
  839    H    GLY 105           H        GLY 105   8.047   2.864  -1.154
  840   1HA   GLY 105          1HA       GLY 105   8.944   5.453  -0.246
  841   2HA   GLY 105          2HA       GLY 105   9.914   3.993  -0.425
  842    H    HIS 106           H        HIS 106   8.286   4.732  -3.380
  843    HA   HIS 106           HA       HIS 106  10.459   5.408  -4.955
  844   1HB   HIS 106          1HB       HIS 106   8.293   4.887  -5.849
  845   2HB   HIS 106          2HB       HIS 106   7.592   6.356  -5.155
  846    HD1  HIS 106           HD1      HIS 106  10.196   5.352  -7.876
  847    HD2  HIS 106           HD2      HIS 106   7.678   8.506  -6.673
  848    HE1  HIS 106           HE1      HIS 106  10.330   7.113  -9.705
  849    H    TRP 107           H        TRP 107   8.387   7.741  -3.109
  850    HA   TRP 107           HA       TRP 107   9.955  10.006  -3.923
  851   1HB   TRP 107          1HB       TRP 107   8.020   9.843  -1.597
  852   2HB   TRP 107          2HB       TRP 107   8.428  11.235  -2.611
  853    HD1  TRP 107           HD1      TRP 107   6.000   8.413  -2.334
  854    HE1  TRP 107           HE1      TRP 107   4.420   8.356  -4.314
  855    HE3  TRP 107           HE3      TRP 107   8.338  11.860  -5.325
  856    HZ2  TRP 107           HZ2      TRP 107   4.153   9.663  -6.900
  857    HZ3  TRP 107           HZ3      TRP 107   7.394  12.426  -7.549
  858    HH2  TRP 107           HH2      TRP 107   5.302  11.338  -8.339
  859    H    ASP 108           H        ASP 108  11.181   7.658  -2.214
  860    HA   ASP 108           HA       ASP 108  12.762   9.421  -0.437
  861   1HB   ASP 108          1HB       ASP 108  10.954   8.181   0.878
  862   2HB   ASP 108          2HB       ASP 108  11.723   6.674   0.407
  863    H    ASN 109           H        ASN 109  13.599   8.992  -2.869
  864    HA   ASN 109           HA       ASN 109  14.980   7.979  -4.304
  865   1HB   ASN 109          1HB       ASN 109  17.224   7.500  -3.567
  866   2HB   ASN 109          2HB       ASN 109  16.608   8.998  -2.905
  867   1HD2  ASN 109          2HD2      ASN 109  16.990   5.523  -1.992
  868   2HD2  ASN 109          1HD2      ASN 109  17.460   5.853  -0.330
  869    H    GLU 110           H        GLU 110  12.946   6.428  -4.110
  870    HA   GLU 110           HA       GLU 110  12.061   4.369  -4.045
  871   1HB   GLU 110          1HB       GLU 110  12.885   2.890  -5.720
  872   2HB   GLU 110          2HB       GLU 110  12.980   4.553  -6.271
  873   1HG   GLU 110          1HG       GLU 110  15.371   4.597  -6.073
  874   2HG   GLU 110          2HG       GLU 110  15.404   3.100  -5.139
  875    H    CYS 111           H        CYS 111  13.415   4.764  -1.622
  876    HA   CYS 111           HA       CYS 111  14.881   2.414  -0.889
  877   1HB   CYS 111          1HB       CYS 111  14.875   4.638   0.317
  878   2HB   CYS 111          2HB       CYS 111  13.256   4.245   0.928
  879    HG   CYS 111           HG       CYS 111  13.956   2.039   2.151
  880    H    GLU 112           H        GLU 112  14.208   0.489   0.014
  881    HA   GLU 112           HA       GLU 112  11.344  -0.220  -0.156
  882   1HB   GLU 112          1HB       GLU 112  12.084  -2.433   0.535
  883   2HB   GLU 112          2HB       GLU 112  12.925  -1.900  -0.904
  884   1HG   GLU 112          1HG       GLU 112  14.193  -1.627   1.852
  885   2HG   GLU 112          2HG       GLU 112  14.208  -3.151   0.984
  886    H    ILE 113           H        ILE 113  10.441  -1.396   1.858
  887    HA   ILE 113           HA       ILE 113  11.111   0.239   4.277
  888    HB   ILE 113           HB       ILE 113   8.352  -0.441   3.234
  889   1HG1  ILE 113          1HG1      ILE 113   9.837   2.219   3.092
  890   2HG1  ILE 113          2HG1      ILE 113   9.440   1.184   1.720
  891   1HG2  ILE 113          1HG2      ILE 113   7.525   1.107   4.958
  892   2HG2  ILE 113          2HG2      ILE 113   8.419  -0.215   5.674
  893   3HG2  ILE 113          3HG2      ILE 113   9.188   1.381   5.520
  894   1HD1  ILE 113          1HD1      ILE 113   7.012   1.499   2.185
  895   2HD1  ILE 113          2HD1      ILE 113   7.461   2.708   3.415
  896   3HD1  ILE 113          3HD1      ILE 113   7.889   2.974   1.724
  897    HA   PRO 114           HA       PRO 114  11.203  -3.751   6.371
  898   1HB   PRO 114          1HB       PRO 114  10.047  -2.157   8.662
  899   2HB   PRO 114          2HB       PRO 114  11.388  -3.343   8.680
  900   1HG   PRO 114          1HG       PRO 114  11.914  -0.685   8.706
  901   2HG   PRO 114          2HG       PRO 114  12.881  -1.783   7.668
  902   1HD   PRO 114          1HD       PRO 114  10.586   0.013   6.879
  903   2HD   PRO 114          2HD       PRO 114  12.143  -0.278   6.045
  904    H    ASP 115           H        ASP 115   9.736  -5.225   7.616
  905    HA   ASP 115           HA       ASP 115   6.882  -4.944   6.759
  906   1HB   ASP 115          1HB       ASP 115   7.960  -6.528   5.345
  907   2HB   ASP 115          2HB       ASP 115   8.736  -7.324   6.714
  908    HA   PRO 116           HA       PRO 116   6.875  -5.193  11.312
  909   1HB   PRO 116          1HB       PRO 116   3.968  -4.564  10.861
  910   2HB   PRO 116          2HB       PRO 116   5.122  -3.837  12.029
  911   1HG   PRO 116          1HG       PRO 116   4.408  -2.505   9.782
  912   2HG   PRO 116          2HG       PRO 116   6.120  -2.528  10.335
  913   1HD   PRO 116          1HD       PRO 116   4.810  -4.262   8.213
  914   2HD   PRO 116          2HD       PRO 116   6.346  -3.355   8.128
  915    H    TYR 117           H        TYR 117   5.219  -7.286   9.069
  916    HA   TYR 117           HA       TYR 117   3.293  -8.518  10.579
  917   1HB   TYR 117          1HB       TYR 117   3.747  -8.873   8.186
  918   2HB   TYR 117          2HB       TYR 117   5.223  -9.752   8.581
  919    HD1  TYR 117           HD1      TYR 117   5.107 -12.096   8.701
  920    HD2  TYR 117           HD2      TYR 117   1.536  -9.762   9.276
  921    HE1  TYR 117           HE1      TYR 117   3.768 -14.190   8.789
  922    HE2  TYR 117           HE2      TYR 117   0.179 -11.843   9.395
  923    HH   TYR 117           HH       TYR 117   0.211 -14.178   9.313
  924    H    ARG 118           H        ARG 118   3.243  -9.688  12.386
  925    HA   ARG 118           HA       ARG 118   3.828 -10.804  14.223
  926   1HB   ARG 118          1HB       ARG 118   5.762 -12.252  12.379
  927   2HB   ARG 118          2HB       ARG 118   5.293 -12.782  13.997
  928   1HG   ARG 118          1HG       ARG 118   2.937 -12.972  13.306
  929   2HG   ARG 118          2HG       ARG 118   3.345 -12.396  11.688
  930   1HD   ARG 118          1HD       ARG 118   3.158 -14.797  11.593
  931   2HD   ARG 118          2HD       ARG 118   4.843 -14.347  11.360
  932    HE   ARG 118           HE       ARG 118   5.435 -15.365  13.332
  933   1HH1  ARG 118          2HH1      ARG 118   1.889 -15.270  13.165
  934   2HH1  ARG 118          1HH1      ARG 118   1.655 -16.326  14.507
  935   1HH2  ARG 118          1HH2      ARG 118   5.126 -16.765  15.123
  936   2HH2  ARG 118          2HH2      ARG 118   3.541 -17.196  15.640
  937    H    LYS 119           H        LYS 119   5.251  -8.224  13.748
  938    HA   LYS 119           HA       LYS 119   7.423  -8.701  15.756
  939   1HB   LYS 119          1HB       LYS 119   7.369  -6.635  13.522
  940   2HB   LYS 119          2HB       LYS 119   8.624  -6.786  14.753
  941   1HG   LYS 119          1HG       LYS 119   9.277  -8.986  13.953
  942   2HG   LYS 119          2HG       LYS 119   7.928  -9.024  12.826
  943   1HD   LYS 119          1HD       LYS 119   8.951  -6.927  11.723
  944   2HD   LYS 119          2HD       LYS 119  10.392  -7.281  12.689
  945   1HE   LYS 119          1HE       LYS 119  10.733  -8.325  10.564
  946   2HE   LYS 119          2HE       LYS 119  10.369  -9.629  11.700
  947   1HZ   LYS 119          1HZ       LYS 119   9.132  -9.886   9.641
  948   2HZ   LYS 119          2HZ       LYS 119   8.047  -9.574  10.837
  949   3HZ   LYS 119          3HZ       LYS 119   8.471  -8.390   9.788
  950    H    SER 120           H        SER 120   7.953  -6.518  16.884
  951    HA   SER 120           HA       SER 120   5.728  -6.048  18.549
  952   1HB   SER 120          1HB       SER 120   8.260  -4.371  18.312
  953   2HB   SER 120          2HB       SER 120   7.239  -4.579  19.747
  954    HG   SER 120           HG       SER 120   9.109  -5.906  19.809
  955    H    ARG 121           H        ARG 121   4.716  -3.950  19.113
  956    HA   ARG 121           HA       ARG 121   3.587  -2.678  16.860
  957   1HB   ARG 121          1HB       ARG 121   2.580  -1.082  18.376
  958   2HB   ARG 121          2HB       ARG 121   2.378  -2.720  18.965
  959   1HG   ARG 121          1HG       ARG 121   3.689  -2.410  20.822
  960   2HG   ARG 121          2HG       ARG 121   4.750  -1.248  20.065
  961   1HD   ARG 121          1HD       ARG 121   1.908  -0.701  21.009
  962   2HD   ARG 121          2HD       ARG 121   3.379  -0.226  21.854
  963    HE   ARG 121           HE       ARG 121   2.048   1.237  19.823
  964   1HH1  ARG 121          1HH2      ARG 121   5.418   0.538  20.792
  965   2HH1  ARG 121          2HH2      ARG 121   6.063   1.889  19.907
  966   1HH2  ARG 121          1HH1      ARG 121   2.821   3.020  18.938
  967   2HH2  ARG 121          2HH1      ARG 121   4.536   3.413  18.907
  968    H    GLU 122           H        GLU 122   6.581  -1.825  18.561
  969    HA   GLU 122           HA       GLU 122   6.669   0.839  17.535
  970   1HB   GLU 122          1HB       GLU 122   8.024  -0.105  19.460
  971   2HB   GLU 122          2HB       GLU 122   9.012  -0.959  18.279
  972   1HG   GLU 122          1HG       GLU 122  10.101   1.099  19.006
  973   2HG   GLU 122          2HG       GLU 122   9.730   1.176  17.290
  974    H    THR 123           H        THR 123   7.438  -2.316  16.096
  975    HA   THR 123           HA       THR 123   8.838  -1.294  13.794
  976    HB   THR 123           HB       THR 123   7.101  -3.734  13.541
  977    HG1  THR 123           1HG      THR 123   7.701  -4.197  15.511
  978   1HG2  THR 123          1HG2      THR 123  10.045  -3.199  12.954
  979   2HG2  THR 123          2HG2      THR 123   9.140  -4.665  12.524
  980   3HG2  THR 123          3HG2      THR 123   8.713  -3.115  11.778
  981    H    PHE 124           H        PHE 124   5.376  -2.011  14.541
  982    HA   PHE 124           HA       PHE 124   4.360  -1.199  11.989
  983   1HB   PHE 124          1HB       PHE 124   3.112  -1.402  14.746
  984   2HB   PHE 124          2HB       PHE 124   2.227  -0.788  13.364
  985    HD1  PHE 124           HD1      PHE 124   1.324  -2.246  11.687
  986    HD2  PHE 124           HD2      PHE 124   3.908  -3.815  14.768
  987    HE1  PHE 124           HE1      PHE 124   0.640  -4.563  11.101
  988    HE2  PHE 124           HE2      PHE 124   3.231  -6.114  14.159
  989    HZ   PHE 124           HZ       PHE 124   1.588  -6.496  12.338
  990    H    ALA 125           H        ALA 125   5.052   0.670  15.013
  991    HA   ALA 125           HA       ALA 125   3.981   3.124  14.047
  992   1HB   ALA 125          1HB       ALA 125   5.225   4.153  15.867
  993   2HB   ALA 125          2HB       ALA 125   4.478   2.640  16.420
  994   3HB   ALA 125          3HB       ALA 125   6.222   2.699  16.063
  995    H    ALA 126           H        ALA 126   7.351   1.839  13.862
  996    HA   ALA 126           HA       ALA 126   8.473   4.116  12.577
  997   1HB   ALA 126          1HB       ALA 126  10.250   2.546  11.869
  998   2HB   ALA 126          2HB       ALA 126   9.826   2.308  13.576
  999   3HB   ALA 126          3HB       ALA 126   9.240   1.164  12.345
 1000    H    VAL 127           H        VAL 127   7.050   1.100  11.178
 1001    HA   VAL 127           HA       VAL 127   7.374   2.001   8.484
 1002    HB   VAL 127           HB       VAL 127   5.709  -0.190   9.760
 1003   1HG1  VAL 127          1HG1      VAL 127   5.486  -1.181   7.502
 1004   2HG1  VAL 127          2HG1      VAL 127   4.620   0.353   7.618
 1005   3HG1  VAL 127          3HG1      VAL 127   6.191   0.279   6.789
 1006   1HG2  VAL 127          1HG2      VAL 127   7.534  -1.602   8.716
 1007   2HG2  VAL 127          2HG2      VAL 127   8.333  -0.126   8.175
 1008   3HG2  VAL 127          3HG2      VAL 127   8.169  -0.471   9.906
 1009    H    TYR 128           H        TYR 128   4.597   2.373  10.803
 1010    HA   TYR 128           HA       TYR 128   2.829   3.576   8.946
 1011   1HB   TYR 128          1HB       TYR 128   2.192   2.904  11.236
 1012   2HB   TYR 128          2HB       TYR 128   3.188   4.190  11.909
 1013    HD1  TYR 128           HD1      TYR 128   2.571   6.651  11.335
 1014    HD2  TYR 128           HD2      TYR 128  -0.065   3.310  10.621
 1015    HE1  TYR 128           HE1      TYR 128   0.676   8.210  11.081
 1016    HE2  TYR 128           HE2      TYR 128  -1.978   4.863  10.406
 1017    HH   TYR 128           HH       TYR 128  -2.675   7.067  10.471
 1018    H    THR 129           H        THR 129   5.531   5.027  10.876
 1019    HA   THR 129           HA       THR 129   5.036   7.721  10.034
 1020    HB   THR 129           HB       THR 129   7.680   6.418  10.826
 1021    HG1  THR 129           1HG      THR 129   6.146   6.023  12.421
 1022   1HG2  THR 129          1HG2      THR 129   8.225   8.674  11.696
 1023   2HG2  THR 129          2HG2      THR 129   7.962   8.700   9.948
 1024   3HG2  THR 129          3HG2      THR 129   6.694   9.299  11.038
 1025    H    LEU 130           H        LEU 130   7.061   5.102   8.581
 1026    HA   LEU 130           HA       LEU 130   8.060   6.713   6.456
 1027   1HB   LEU 130          1HB       LEU 130   8.613   4.203   7.316
 1028   2HB   LEU 130          2HB       LEU 130   7.514   3.774   6.026
 1029    HG   LEU 130           HG       LEU 130   9.667   3.651   5.119
 1030   1HD1  LEU 130          1HD1      LEU 130   8.098   4.921   3.614
 1031   2HD1  LEU 130          2HD1      LEU 130   8.841   6.428   4.189
 1032   3HD1  LEU 130          3HD1      LEU 130   9.815   5.229   3.324
 1033   1HD2  LEU 130          1HD2      LEU 130  11.398   5.377   5.294
 1034   2HD2  LEU 130          2HD2      LEU 130  10.309   6.415   6.236
 1035   3HD2  LEU 130          3HD2      LEU 130  10.861   4.864   6.900
 1036    H    LEU 131           H        LEU 131   5.222   4.503   6.614
 1037    HA   LEU 131           HA       LEU 131   4.270   4.940   3.993
 1038   1HB   LEU 131          1HB       LEU 131   3.147   3.835   6.555
 1039   2HB   LEU 131          2HB       LEU 131   2.016   4.295   5.298
 1040    HG   LEU 131           HG       LEU 131   2.930   2.815   3.702
 1041   1HD1  LEU 131          1HD1      LEU 131   5.322   2.887   4.157
 1042   2HD1  LEU 131          2HD1      LEU 131   5.083   2.024   5.683
 1043   3HD1  LEU 131          3HD1      LEU 131   4.750   1.217   4.141
 1044   1HD2  LEU 131          1HD2      LEU 131   2.467   0.641   4.809
 1045   2HD2  LEU 131          2HD2      LEU 131   2.611   1.430   6.394
 1046   3HD2  LEU 131          3HD2      LEU 131   1.309   1.891   5.271
 1047    H    GLU 132           H        GLU 132   3.599   6.766   7.033
 1048    HA   GLU 132           HA       GLU 132   1.555   8.392   5.910
 1049   1HB   GLU 132          1HB       GLU 132   1.959   8.188   8.301
 1050   2HB   GLU 132          2HB       GLU 132   3.538   8.955   8.162
 1051   1HG   GLU 132          1HG       GLU 132   1.022  10.377   7.240
 1052   2HG   GLU 132          2HG       GLU 132   1.407  10.298   8.951
 1053    H    ARG 133           H        ARG 133   5.120   8.863   6.142
 1054    HA   ARG 133           HA       ARG 133   5.227  11.308   4.745
 1055   1HB   ARG 133          1HB       ARG 133   7.101   9.265   5.665
 1056   2HB   ARG 133          2HB       ARG 133   7.473   9.611   3.985
 1057   1HG   ARG 133          1HG       ARG 133   7.282  12.113   4.686
 1058   2HG   ARG 133          2HG       ARG 133   7.409  11.473   6.345
 1059   1HD   ARG 133          1HD       ARG 133   9.633  12.123   5.571
 1060   2HD   ARG 133          2HD       ARG 133   9.563  10.351   5.658
 1061    HE   ARG 133           HE       ARG 133   8.841  11.437   3.037
 1062   1HH1  ARG 133          1HH2      ARG 133  11.665  10.387   4.988
 1063   2HH1  ARG 133          2HH2      ARG 133  12.552   9.924   3.548
 1064   1HH2  ARG 133          1HH1      ARG 133  10.096  10.873   1.267
 1065   2HH2  ARG 133          2HH1      ARG 133  11.742  10.292   1.511
 1066    H    SER 134           H        SER 134   5.658   8.043   3.438
 1067    HA   SER 134           HA       SER 134   5.919   8.970   0.761
 1068   1HB   SER 134          1HB       SER 134   5.402   6.455   0.235
 1069   2HB   SER 134          2HB       SER 134   6.936   6.964   0.958
 1070    HG   SER 134           HG       SER 134   6.103   6.330   3.005
 1071    H    ALA 135           H        ALA 135   2.987   7.833   2.508
 1072    HA   ALA 135           HA       ALA 135   1.236   7.945   0.257
 1073   1HB   ALA 135          1HB       ALA 135   0.547   6.905   2.382
 1074   2HB   ALA 135          2HB       ALA 135   0.683   8.472   3.212
 1075   3HB   ALA 135          3HB       ALA 135  -0.552   8.234   1.964
 1076    H    ARG 136           H        ARG 136   2.270  10.458   2.658
 1077    HA   ARG 136           HA       ARG 136   0.541  12.495   1.638
 1078   1HB   ARG 136          1HB       ARG 136   1.762  12.391   3.878
 1079   2HB   ARG 136          2HB       ARG 136   3.234  12.870   3.020
 1080   1HG   ARG 136          1HG       ARG 136   2.005  14.970   2.286
 1081   2HG   ARG 136          2HG       ARG 136   0.617  14.420   3.240
 1082   1HD   ARG 136          1HD       ARG 136   1.774  15.937   4.641
 1083   2HD   ARG 136          2HD       ARG 136   2.158  14.340   5.271
 1084    HE   ARG 136           HE       ARG 136   3.917  16.061   3.562
 1085   1HH1  ARG 136          1HH2      ARG 136   3.750  13.448   6.053
 1086   2HH1  ARG 136          2HH2      ARG 136   5.427  13.594   6.416
 1087   1HH2  ARG 136          1HH1      ARG 136   6.131  16.090   4.012
 1088   2HH2  ARG 136          2HH1      ARG 136   6.814  15.045   5.194
 1089    H    GLN 137           H        GLN 137   3.943  11.580   0.847
 1090    HA   GLN 137           HA       GLN 137   4.312  13.605  -1.115
 1091   1HB   GLN 137          1HB       GLN 137   5.648  10.893  -0.744
 1092   2HB   GLN 137          2HB       GLN 137   6.139  12.092  -1.953
 1093   1HG   GLN 137          1HG       GLN 137   6.545  13.758  -0.186
 1094   2HG   GLN 137          2HG       GLN 137   6.079  12.594   1.052
 1095   1HE2  GLN 137          2HE2      GLN 137   8.621  13.551  -1.203
 1096   2HE2  GLN 137          1HE2      GLN 137   9.791  12.347  -0.708
 1097    H    TRP 138           H        TRP 138   3.073  10.205  -1.464
 1098    HA   TRP 138           HA       TRP 138   2.634  10.310  -4.238
 1099   1HB   TRP 138          1HB       TRP 138   1.536   8.696  -1.958
 1100   2HB   TRP 138          2HB       TRP 138   0.538   8.782  -3.394
 1101    HD1  TRP 138           HD1      TRP 138   3.387   6.844  -2.078
 1102    HE1  TRP 138           HE1      TRP 138   4.519   5.471  -3.928
 1103    HE3  TRP 138           HE3      TRP 138   1.082   8.925  -6.125
 1104    HZ2  TRP 138           HZ2      TRP 138   4.486   5.372  -6.828
 1105    HZ3  TRP 138           HZ3      TRP 138   1.635   8.178  -8.428
 1106    HH2  TRP 138           HH2      TRP 138   3.347   6.416  -8.788
 1107    H    ALA 139           H        ALA 139   0.406  11.331  -1.577
 1108    HA   ALA 139           HA       ALA 139  -1.691  12.144  -3.296
 1109   1HB   ALA 139          1HB       ALA 139  -1.988  11.813  -0.883
 1110   2HB   ALA 139          2HB       ALA 139  -0.896  13.174  -0.533
 1111   3HB   ALA 139          3HB       ALA 139  -2.448  13.471  -1.334
 1112    H    GLN 140           H        GLN 140   1.050  14.033  -1.915
 1113    HA   GLN 140           HA       GLN 140   0.346  16.533  -2.992
 1114   1HB   GLN 140          1HB       GLN 140   1.986  16.271  -1.227
 1115   2HB   GLN 140          2HB       GLN 140   3.032  15.302  -2.264
 1116   1HG   GLN 140          1HG       GLN 140   3.972  17.495  -2.007
 1117   2HG   GLN 140          2HG       GLN 140   3.504  17.269  -3.680
 1118   1HE2  GLN 140          2HE2      GLN 140   1.486  18.386  -4.448
 1119   2HE2  GLN 140          1HE2      GLN 140   0.982  19.851  -3.626
 1120    H    ALA 141           H        ALA 141   2.283  13.853  -4.448
 1121    HA   ALA 141           HA       ALA 141   2.929  15.279  -6.849
 1122   1HB   ALA 141          1HB       ALA 141   2.678  12.285  -6.285
 1123   2HB   ALA 141          2HB       ALA 141   3.401  13.007  -7.733
 1124   3HB   ALA 141          3HB       ALA 141   4.145  13.273  -6.144
 1125    H    LEU 142           H        LEU 142   0.428  12.745  -6.219
 1126    HA   LEU 142           HA       LEU 142  -0.720  12.794  -8.774
 1127   1HB   LEU 142          1HB       LEU 142  -1.831  12.085  -6.035
 1128   2HB   LEU 142          2HB       LEU 142  -2.791  11.879  -7.490
 1129    HG   LEU 142           HG       LEU 142  -0.070  10.570  -7.137
 1130   1HD1  LEU 142          1HD1      LEU 142  -1.603   9.762  -5.387
 1131   2HD1  LEU 142          2HD1      LEU 142  -2.848   9.429  -6.612
 1132   3HD1  LEU 142          3HD1      LEU 142  -1.335   8.500  -6.599
 1133   1HD2  LEU 142          1HD2      LEU 142  -2.365  10.011  -9.069
 1134   2HD2  LEU 142          2HD2      LEU 142  -0.794  10.737  -9.487
 1135   3HD2  LEU 142          3HD2      LEU 142  -0.868   9.064  -8.931
 1136    H    ASN 143           H        ASN 143  -1.516  14.829  -5.964
 1137    HA   ASN 143           HA       ASN 143  -3.867  15.995  -6.915
 1138   1HB   ASN 143          1HB       ASN 143  -3.002  16.173  -4.612
 1139   2HB   ASN 143          2HB       ASN 143  -1.696  17.220  -5.179
 1140   1HD2  ASN 143          2HD2      ASN 143  -2.160  19.317  -4.544
 1141   2HD2  ASN 143          1HD2      ASN 143  -3.738  20.055  -4.622
 1142    H    ALA 144           H        ALA 144  -0.632  16.515  -8.195
 1143    HA   ALA 144           HA       ALA 144  -1.751  18.508 -10.031
 1144   1HB   ALA 144          1HB       ALA 144   0.778  19.020  -8.397
 1145   2HB   ALA 144          2HB       ALA 144   0.097  20.094  -9.644
 1146   3HB   ALA 144          3HB       ALA 144  -0.792  19.822  -8.135
 1147    H    GLU 145           H        GLU 145  -0.931  15.756 -10.199
 1148    HA   GLU 145           HA       GLU 145   0.737  15.986 -12.632
 1149   1HB   GLU 145          1HB       GLU 145   1.313  13.971 -10.408
 1150   2HB   GLU 145          2HB       GLU 145   1.945  13.891 -12.057
 1151   1HG   GLU 145          1HG       GLU 145   3.013  16.123 -11.756
 1152   2HG   GLU 145          2HG       GLU 145   2.459  16.147 -10.081
 1153    H    GLN 146           H        GLN 146  -1.689  16.156 -12.920
 1154    HA   GLN 146           HA       GLN 146  -2.837  13.534 -13.479
 1155   1HB   GLN 146          1HB       GLN 146  -4.952  14.366 -12.474
 1156   2HB   GLN 146          2HB       GLN 146  -3.615  14.257 -11.312
 1157   1HG   GLN 146          1HG       GLN 146  -3.326  16.681 -11.341
 1158   2HG   GLN 146          2HG       GLN 146  -4.592  16.843 -12.571
 1159   1HE2  GLN 146          2HE2      GLN 146  -4.151  15.210  -9.352
 1160   2HE2  GLN 146          1HE2      GLN 146  -5.727  15.694  -8.732
 1161    H    VAL 147           H        VAL 147  -4.159  13.413 -15.149
 1162    HA   VAL 147           HA       VAL 147  -4.624  15.595 -17.028
 1163    HB   VAL 147           HB       VAL 147  -3.472  14.102 -18.788
 1164   1HG1  VAL 147          1HG1      VAL 147  -1.315  15.165 -18.528
 1165   2HG1  VAL 147          2HG1      VAL 147  -2.575  16.305 -18.036
 1166   3HG1  VAL 147          3HG1      VAL 147  -1.602  15.466 -16.806
 1167   1HG2  VAL 147          1HG2      VAL 147  -3.064  12.085 -17.387
 1168   2HG2  VAL 147          2HG2      VAL 147  -1.563  12.726 -18.063
 1169   3HG2  VAL 147          3HG2      VAL 147  -1.954  13.011 -16.355